| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.4 | Very low | 43.7 | Very low | 239 Ų | 239 | 138.1 Ų | 138.1 | 100% | 1.177 | 67% | 0.668 | S | S | * | * | 0 | 52.5 | 0 | -156.5 | -174.5 | -84.5 | 0 | 0 | 110.7 | |||||
| 2 | Y | 34.6 | Very low | 45.4 | Very low | 241 Ų | 241 | 130.8 Ų | 130.8 | 95% | 0.945 | 64% | 0.642 | S | S | * | * | trans | -115.6 | 47.9 | 168.1 | -98.6 | -88 | 0 | 0 | 0 | 109 | T4 | Y2-T4 PolarHBondContact O-N 2.76Å; Y2-T4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | N | 30.8 | Very low | 46.8 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | trans | -50.3 | -1.7 | -174.1 | -94 | 19.4 | 0 | 0 | 0 | 123.6 | ||||
| 4 | T | 30.8 | Very low | 48.1 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 76% | 0.755 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -171.2 | 132.2 | -160.6 | 12.2 | 0 | 0 | 0 | 0 | 113.9 | Y2 | Y2-T4 PolarHBondContact O-N 2.76Å; Y2-T4 VanDerWaalsContact O-N 3.14Å |
| 5 | F | 40.4 | Very low | 49.4 | Very low | 198 Ų | 198 | 114.8 Ų | 114.8 | 87% | 0.868 | 57% | 0.571 | S | S | * | * | trans | 96.7 | 50.4 | 176.1 | -66.9 | -82.1 | 0 | 0 | 0 | 117.9 | ||||
| 6 | L | 44.3 | Very low | 50.8 | Low | 107 Ų | 107 | 107.9 Ų | 107.9 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 118.2 | 152.5 | -79.2 | 161.5 | 0 | 0 | 0 | 108.6 | V110 | L6-V110 HydrophobicContact CD1-CB 3.9Å; L6-V110 HydrophobicContact CD1-CG2 3.79Å; L6-V110 HydrophobicContact CD2-CG2 4.32Å |
| 7 | K | 46.1 | Very low | 52.4 | Low | 186 Ų | 186 | 107.2 Ų | 107.2 | 81% | 0.809 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 148.1 | -178.3 | -78.1 | 172.6 | 178.7 | 165.2 | 0 | 110.6 | ||
| 8 | P | 46.3 | Very low | 53.8 | Low | 99 Ų | 99 | 112.3 Ų | 112.3 | 64% | 0.643 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.7 | 178.4 | 25.7 | -34.8 | 0 | 0 | 0 | 111.5 | F10 | P8-F10 HydrophobicContact CB-CD2 3.71Å; P8-F10 HydrophobicContact CB-CE2 3.6Å; P8-F10 HydrophobicContact CG-CD2 3.92Å; P8-F10 HydrophobicContact CG-CE2 3.97Å; P8-F10 PolarHBondContact O-N 3.31Å |
| 9 | L | 54.6 | Low | 55.4 | Low | 13 Ų | 13 | 114.3 Ų | 114.3 | 7% | 0.068 | 57% | 0.566 | C | S | . | * | trans | -75.5 | 34.2 | -163.8 | -136.6 | 149.3 | 0 | 0 | 0 | 114.6 | F11 W105 K106 L108 T227 | L9-F11 PolarHBondContact O-N 2.59Å; L9-F11 VanDerWaalsContact O-N 3.09Å; L9-W105 WeakPolarHBondContact CD2-O 3.18Å; L9-K106 WeakPolarHBondContact CB-O 3.38Å; L9-L108 HydrophobicContact CD1-CB 3.85Å; L9-L108 WeakPolarHBondContact CD1-O 3.46Å; L9-T227 HydrophobicContact CD1-CG2 3.89Å | ||
| 10 | F | 57.8 | Low | 56.8 | Low | 122 Ų | 122 | 110.9 Ų | 110.9 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | trans | -74.3 | 107.5 | -178.9 | -65.7 | -73.2 | 0 | 0 | 0 | 110.5 | P8 S12 | P8-F10 HydrophobicContact CB-CD2 3.71Å; P8-F10 HydrophobicContact CB-CE2 3.6Å; P8-F10 HydrophobicContact CG-CD2 3.92Å; P8-F10 HydrophobicContact CG-CE2 3.97Å; P8-F10 PolarHBondContact O-N 3.31Å; F10-S12 PolarHBondContact O-N 3.42Å | ||
| 11 | F | 63.1 | Low | 58.2 | Low | 38 Ų | 38 | 107.9 Ų | 107.9 | 17% | 0.167 | 54% | 0.535 | C | S | . | . | trans | -63.3 | 123.8 | 156.1 | 173.1 | -99.7 | 0 | 0 | 0 | 107.5 | L9 T13 D84 T87 N88 M234 | L9-F11 PolarHBondContact O-N 2.59Å; L9-F11 VanDerWaalsContact O-N 3.09Å; F11-T13 HydrophobicContact CE1-CG2 3.76Å; F11-T13 HydrophobicContact CE2-CG2 3.88Å; F11-T13 HydrophobicContact CZ-CG2 3.33Å; F11-D84 HydrophobicContact CD1-CB 3.96Å; F11-D84 HydrophobicContact CE1-CB 4.23Å; F11-D84 WeakPolarHBondContact CE1-OD1 3.43Å; F11-T87 HydrophobicContact CD1-CG2 4.38Å; F11-T87 HydrophobicContact CE1-CG2 4.46Å; F11-N88 WeakPolarHBondContact CB-OD1 3.33Å; F11-N88 PolarHBondContact N-OD1 3.14Å; F11-N88 PolarHBondContact O-ND2 3.38Å; F11-M234 HydrophobicContact CD2-SD 3.77Å; F11-M234 HydrophobicContact CE2-CE 4.27Å; F11-M234 HydrophobicContact CE2-SD 3.8Å | ||
| 12 | S | 63.6 | Low | 60.8 | Low | 51 Ų | 51 | 102.2 Ų | 102.2 | 36% | 0.357 | 51% | 0.509 | S | S | . | . | trans | -145.2 | 116.5 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | F10 D84 | F10-S12 PolarHBondContact O-N 3.42Å; S12-D84 VanDerWaalsContact CA-OD2 3.3Å; S12-D84 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 13 | T | 63 | Low | 63.3 | Low | 73 Ų | 73 | 94.2 Ų | 94.2 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | trans | -97.3 | -1.9 | 171.8 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | F11 D84 | F11-T13 HydrophobicContact CE1-CG2 3.76Å; F11-T13 HydrophobicContact CE2-CG2 3.88Å; F11-T13 HydrophobicContact CZ-CG2 3.33Å; T13-D84 WeakPolarHBondContact CB-OD1 3.28Å; T13-D84 WeakPolarHBondContact CG2-OD1 3.35Å; T13-D84 VanDerWaalsContact N-CG 3.28Å; T13-D84 PolarHBondContact N-OD1 3.4Å; T13-D84 PolarHBondContact N-OD2 2.87Å; T13-D84 PolarHBondContact OG1-OD1 3.49Å; T13-D84 PolarHBondContact OG1-OD2 3.12Å | ||
| 14 | A | 66.2 | Low | 65.8 | Low | 18 Ų | 18 | 91.9 Ų | 91.9 | 15% | 0.149 | 47% | 0.469 | C | S | . | . | trans | -57.4 | 139.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H81 D84 | A14-H81 WeakPolarHBondContact CB-CE1 3.48Å; A14-H81 VanDerWaalsContact CB-NE2 3.26Å; A14-H81 WeakPolarHBondContact CB-NE2 3.2Å; A14-D84 PolarHBondContact N-OD2 3.32Å | ||
| 15 | K | 67.1 | Low | 68.4 | Low | 61 Ų | 61 | 86.9 Ų | 86.9 | 27% | 0.265 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -70.1 | -38.9 | 175.6 | -90.2 | 169.8 | -179 | -177.5 | 0 | 110.6 | K24 E73 D77 R80 | K15-K24 PolarHBondContact O-NZ 2.82Å; K15-E73 IonicContact NZ-OE1 3.06Å; K15-E73 IonicContact NZ-OE2 2.64Å; K15-E73 PolarHBondContact NZ-OE2 3.3Å; K15-D77 PolarHBondContact N-OD1 3Å; K15-R80 VanDerWaalsContact CE-NH1 3.31Å |
| 16 | Y | 71.8 | Confident | 70.6 | Confident | 5 Ų | 5 | 80.5 Ų | 80.5 | 2% | 0.02 | 41% | 0.414 | C | S | . | . | trans | -122.7 | 139 | -169.1 | -46.7 | -77.7 | 0 | 0 | 0 | 110.4 | F21 K24 E28 E73 D77 H81 | Y16-F21 HydrophobicContact CD1-CD2 4.17Å; Y16-F21 AromaticContact CD2-CD2 3.82Å; Y16-F21 HydrophobicContact CD2-CD2 3.82Å; Y16-F21 HydrophobicContact CD2-CE2 4.32Å; Y16-F21 HydrophobicContact CE2-CD2 4.33Å; Y16-F21 HydrophobicContact CE2-CE2 4.45Å; Y16-F21 HydrophobicContact CG-CB 4.39Å; Y16-F21 AromaticContact CG-CD2 3.75Å; Y16-F21 HydrophobicContact CG-CD2 3.75Å; Y16-K24 HydrophobicContact CD1-CB 3.79Å; Y16-K24 HydrophobicContact CD1-CD 3.99Å; Y16-K24 HydrophobicContact CE1-CB 3.64Å; Y16-K24 HydrophobicContact CE1-CD 4.32Å; Y16-E28 PolarHBondContact OH-OE2 3.2Å; Y16-E73 HydrophobicContact CE2-CB 4.44Å; Y16-E73 PolarHBondContact OH-OE2 3.09Å; Y16-D77 HydrophobicContact CD2-CB 4.05Å; Y16-D77 PolarHBondContact N-OD2 3.06Å; Y16-H81 PolarHBondContact O-NE2 2.96Å | ||
| 17 | N | 77.7 | Confident | 72.5 | Confident | 96 Ų | 96 | 79.3 Ų | 79.3 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | trans | -94.5 | 161.8 | 159.8 | -65.3 | 5.6 | 0 | 0 | 0 | 107.2 | L19 T20 F21 | N17-L19 PolarHBondContact O-N 3.48Å; N17-T20 PolarHBondContact N-OG1 3.17Å; N17-T20 PolarHBondContact O-N 3.48Å; N17-T20 PolarHBondContact O-OG1 2.86Å; N17-F21 PolarHBondContact O-N 2.96Å | ||
| 18 | F | 78.4 | Confident | 74 | Confident | 198 Ų | 198 | 72.7 Ų | 72.7 | 87% | 0.868 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46 | -43.1 | 178.3 | -176.4 | -100.3 | 0 | 0 | 0 | 113.3 | ||
| 19 | L | 83.3 | Confident | 75.8 | Confident | 151 Ų | 151 | 68.1 Ų | 68.1 | 79% | 0.791 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -22.7 | 178.9 | -63.3 | 172.9 | 0 | 0 | 0 | 114.6 | N17 | N17-L19 PolarHBondContact O-N 3.48Š|
| 20 | T | 84 | Confident | 77.2 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -8.6 | -175.2 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | N17 P23 K24 | N17-T20 PolarHBondContact N-OG1 3.17Å; N17-T20 PolarHBondContact O-N 3.48Å; N17-T20 PolarHBondContact O-OG1 2.86Å; T20-P23 WeakPolarHBondContact O-CD 3.27Å; T20-K24 VanDerWaalsContact O-CB 3.32Å; T20-K24 WeakPolarHBondContact O-CB 3.16Å; T20-K24 WeakPolarHBondContact O-CG 3.47Å; T20-K24 PolarHBondContact O-N 3.4Å |
| 21 | F | 85.2 | Confident | 78.2 | Confident | 47 Ų | 47 | 71.5 Ų | 71.5 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.7 | -59.9 | 178.7 | 176.4 | -105.3 | 0 | 0 | 0 | 112 | Y16 N17 K24 F25 A70 E73 V74 | Y16-F21 HydrophobicContact CD1-CD2 4.17Å; Y16-F21 AromaticContact CD2-CD2 3.82Å; Y16-F21 HydrophobicContact CD2-CD2 3.82Å; Y16-F21 HydrophobicContact CD2-CE2 4.32Å; Y16-F21 HydrophobicContact CE2-CD2 4.33Å; Y16-F21 HydrophobicContact CE2-CE2 4.45Å; Y16-F21 HydrophobicContact CG-CB 4.39Å; Y16-F21 AromaticContact CG-CD2 3.75Å; Y16-F21 HydrophobicContact CG-CD2 3.75Å; N17-F21 PolarHBondContact O-N 2.96Å; F21-K24 PolarHBondContact O-N 3.22Å; F21-F25 HydrophobicContact CE2-CB 4.44Å; F21-F25 HydrophobicContact CZ-CB 4.45Å; F21-F25 HydrophobicContact CZ-CD2 4.46Å; F21-F25 HydrophobicContact CZ-CG 4.33Å; F21-F25 WeakPolarHBondContact O-CB 3.34Å; F21-F25 PolarHBondContact O-N 3.09Å; F21-A70 HydrophobicContact CZ-CB 4.46Å; F21-E73 HydrophobicContact CE2-CB 4.39Å; F21-V74 HydrophobicContact CE1-CG2 4.05Å; F21-V74 HydrophobicContact CE2-CG2 3.69Å; F21-V74 HydrophobicContact CZ-CG2 3.41Å; F21-V74 VanDerWaalsContact CZ-CG2 3.41Å |
| 22 | I | 87.2 | Confident | 78.7 | Confident | 120 Ų | 120 | 72.7 Ų | 72.7 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57.9 | -55.8 | -175.9 | -59.2 | 175.7 | 0 | 0 | 0 | 112.6 | K24 F25 V26 | I22-K24 PolarHBondContact O-N 3.49Å; I22-F25 PolarHBondContact O-N 3Å; I22-V26 HydrophobicContact CG2-CG2 4.31Å; I22-V26 WeakPolarHBondContact O-CB 3.44Å; I22-V26 VanDerWaalsContact O-CG2 3.27Å; I22-V26 WeakPolarHBondContact O-CG2 3.42Å; I22-V26 PolarHBondContact O-N 2.9Å |
| 23 | P | 88.4 | Confident | 79.4 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 47% | 0.474 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | -175.6 | 23.6 | -33.9 | 0 | 0 | 0 | 112.7 | T20 T27 | T20-P23 WeakPolarHBondContact O-CD 3.27Å; P23-T27 WeakPolarHBondContact O-CB 3.42Å; P23-T27 PolarHBondContact O-N 2.97Å; P23-T27 VanDerWaalsContact O-N 3.13Å; P23-T27 PolarHBondContact O-OG1 2.89Å |
| 24 | K | 82.7 | Confident | 80.2 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.8 | -44.4 | 177.5 | -71 | -174.8 | -179.1 | -178.5 | 0 | 111.7 | K15 Y16 T20 F21 I22 T27 E28 | K15-K24 PolarHBondContact O-NZ 2.82Å; Y16-K24 HydrophobicContact CD1-CB 3.79Å; Y16-K24 HydrophobicContact CD1-CD 3.99Å; Y16-K24 HydrophobicContact CE1-CB 3.64Å; Y16-K24 HydrophobicContact CE1-CD 4.32Å; T20-K24 VanDerWaalsContact O-CB 3.32Å; T20-K24 WeakPolarHBondContact O-CB 3.16Å; T20-K24 WeakPolarHBondContact O-CG 3.47Å; T20-K24 PolarHBondContact O-N 3.4Å; F21-K24 PolarHBondContact O-N 3.22Å; I22-K24 PolarHBondContact O-N 3.49Å; K24-T27 PolarHBondContact O-N 2.83Å; K24-E28 WeakPolarHBondContact O-CB 3.27Å; K24-E28 PolarHBondContact O-N 3.21Å |
| 25 | F | 86.1 | Confident | 81.1 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 178.3 | 173.7 | -101.3 | 0 | 0 | 0 | 111.8 | F21 I22 T27 E28 Q29 L66 A70 E73 | F21-F25 HydrophobicContact CE2-CB 4.44Å; F21-F25 HydrophobicContact CZ-CB 4.45Å; F21-F25 HydrophobicContact CZ-CD2 4.46Å; F21-F25 HydrophobicContact CZ-CG 4.33Å; F21-F25 WeakPolarHBondContact O-CB 3.34Å; F21-F25 PolarHBondContact O-N 3.09Å; I22-F25 PolarHBondContact O-N 3Å; F25-T27 PolarHBondContact O-N 2.87Å; F25-E28 WeakPolarHBondContact O-CB 3.42Å; F25-E28 PolarHBondContact O-N 3.09Å; F25-E28 VanDerWaalsContact O-N 3.16Å; F25-Q29 HydrophobicContact CD1-CG 4.45Å; F25-Q29 HydrophobicContact CD2-CG 4.23Å; F25-Q29 HydrophobicContact CE1-CG 3.95Å; F25-Q29 HydrophobicContact CE2-CG 3.71Å; F25-Q29 HydrophobicContact CZ-CG 3.53Å; F25-Q29 WeakPolarHBondContact O-CG 3.41Å; F25-Q29 PolarHBondContact O-N 3.49Å; F25-L66 WeakPolarHBondContact CZ-O 3.44Å; F25-A70 HydrophobicContact CE1-CB 3.82Å; F25-A70 HydrophobicContact CE2-CB 4.05Å; F25-A70 VanDerWaalsContact CZ-CA 3.47Å; F25-A70 HydrophobicContact CZ-CB 3.53Å; F25-E73 HydrophobicContact CD2-CB 4.45Å; F25-E73 HydrophobicContact CD2-CG 4.2Å; F25-E73 HydrophobicContact CE2-CG 4.18Å |
| 26 | V | 86.3 | Confident | 82 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | I22 E28 Q29 F30 | I22-V26 HydrophobicContact CG2-CG2 4.31Å; I22-V26 WeakPolarHBondContact O-CB 3.44Å; I22-V26 VanDerWaalsContact O-CG2 3.27Å; I22-V26 WeakPolarHBondContact O-CG2 3.42Å; I22-V26 PolarHBondContact O-N 2.9Å; V26-E28 PolarHBondContact O-N 3.11Å; V26-Q29 PolarHBondContact O-N 2.6Å; V26-F30 HydrophobicContact CG1-CD2 3.66Å; V26-F30 HydrophobicContact CG1-CE2 3.95Å; V26-F30 VanDerWaalsContact O-CD2 3.26Å; V26-F30 WeakPolarHBondContact O-CD2 3.42Å; V26-F30 PolarHBondContact O-N 2.88Å |
| 27 | T | 84.1 | Confident | 82.8 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.5 | -36.9 | 176.7 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | P23 K24 F25 R31 | P23-T27 WeakPolarHBondContact O-CB 3.42Å; P23-T27 PolarHBondContact O-N 2.97Å; P23-T27 VanDerWaalsContact O-N 3.13Å; P23-T27 PolarHBondContact O-OG1 2.89Å; K24-T27 PolarHBondContact O-N 2.83Å; F25-T27 PolarHBondContact O-N 2.87Å; T27-R31 VanDerWaalsContact O-CG 3.28Å; T27-R31 WeakPolarHBondContact O-CG 3.33Å; T27-R31 PolarHBondContact O-N 2.99Å |
| 28 | E | 77.8 | Confident | 83.3 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.4 | -46.1 | 178.9 | -174.4 | 167.2 | -167.7 | 0 | 0 | 112.6 | Y16 K24 F25 V26 F30 R31 | Y16-E28 PolarHBondContact OH-OE2 3.2Å; K24-E28 WeakPolarHBondContact O-CB 3.27Å; K24-E28 PolarHBondContact O-N 3.21Å; F25-E28 WeakPolarHBondContact O-CB 3.42Å; F25-E28 PolarHBondContact O-N 3.09Å; F25-E28 VanDerWaalsContact O-N 3.16Å; V26-E28 PolarHBondContact O-N 3.11Å; E28-F30 PolarHBondContact O-N 3.25Å; E28-R31 WeakPolarHBondContact O-CB 3.49Å; E28-R31 PolarHBondContact O-N 3.19Å |
| 29 | Q | 82.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 178.4 | -68.3 | -57.6 | -31.2 | 0 | 0 | 112.3 | F25 V26 R31 R32 N35 L66 | F25-Q29 HydrophobicContact CD1-CG 4.45Å; F25-Q29 HydrophobicContact CD2-CG 4.23Å; F25-Q29 HydrophobicContact CE1-CG 3.95Å; F25-Q29 HydrophobicContact CE2-CG 3.71Å; F25-Q29 HydrophobicContact CZ-CG 3.53Å; F25-Q29 WeakPolarHBondContact O-CG 3.41Å; F25-Q29 PolarHBondContact O-N 3.49Å; V26-Q29 PolarHBondContact O-N 2.6Å; Q29-R31 VanDerWaalsContact C-N 3.29Å; Q29-R31 PolarHBondContact O-N 3.36Å; Q29-R32 WeakPolarHBondContact O-CB 3.49Å; Q29-R32 PolarHBondContact O-N 3.32Å; Q29-N35 PolarHBondContact O-ND2 3.17Å; Q29-L66 HydrophobicContact CB-CD2 3.93Å; Q29-L66 HydrophobicContact CG-CD2 4.1Å |
| 30 | F | 84.2 | Confident | 84.2 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 22% | 0.219 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.9 | 178.2 | -71.9 | -69.7 | 0 | 0 | 0 | 114.3 | V26 E28 R32 N35 I36 L39 L66 | V26-F30 HydrophobicContact CG1-CD2 3.66Å; V26-F30 HydrophobicContact CG1-CE2 3.95Å; V26-F30 VanDerWaalsContact O-CD2 3.26Å; V26-F30 WeakPolarHBondContact O-CD2 3.42Å; V26-F30 PolarHBondContact O-N 2.88Å; E28-F30 PolarHBondContact O-N 3.25Å; F30-R32 PolarHBondContact O-N 3.39Å; F30-N35 HydrophobicContact CD1-CB 4.09Å; F30-N35 HydrophobicContact CE1-CB 4.18Å; F30-I36 HydrophobicContact CD1-CG1 4.28Å; F30-I36 VanDerWaalsContact O-CD1 3.26Å; F30-I36 WeakPolarHBondContact O-CD1 3.41Å; F30-I36 WeakPolarHBondContact O-CG1 3.39Å; F30-L39 HydrophobicContact CD1-CD2 4.23Å; F30-L39 HydrophobicContact CE1-CB 3.84Å; F30-L39 HydrophobicContact CE1-CD2 3.59Å; F30-L39 HydrophobicContact CE1-CG 4.22Å; F30-L39 HydrophobicContact CZ-CB 4.47Å; F30-L39 HydrophobicContact CZ-CD2 3.86Å; F30-L66 HydrophobicContact CZ-CD1 4.32Å |
| 31 | R | 79.2 | Confident | 84.6 | Confident | 155 Ų | 155 | 59.6 Ų | 59.6 | 59% | 0.585 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.2 | 161.5 | -81.9 | 167.6 | 172.2 | -161.2 | -3 | 112.7 | T27 E28 Q29 | T27-R31 VanDerWaalsContact O-CG 3.28Å; T27-R31 WeakPolarHBondContact O-CG 3.33Å; T27-R31 PolarHBondContact O-N 2.99Å; E28-R31 WeakPolarHBondContact O-CB 3.49Å; E28-R31 PolarHBondContact O-N 3.19Å; Q29-R31 VanDerWaalsContact C-N 3.29Å; Q29-R31 PolarHBondContact O-N 3.36Å |
| 32 | R | 74.7 | Confident | 84.8 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -89.8 | 121.3 | 177 | -60.5 | 178.5 | 178.9 | 176.6 | -0.2 | 110.2 | Q29 F30 A34 N35 I36 E323 | Q29-R32 WeakPolarHBondContact O-CB 3.49Å; Q29-R32 PolarHBondContact O-N 3.32Å; F30-R32 PolarHBondContact O-N 3.39Å; R32-A34 PolarHBondContact O-N 3.3Å; R32-N35 PolarHBondContact O-N 2.96Å; R32-N35 VanDerWaalsContact O-N 3.08Å; R32-I36 PolarHBondContact O-N 2.89Å; R32-E323 IonicContact CZ-OE1 2.75Å; R32-E323 IonicContact NH1-OE1 2.71Å; R32-E323 PolarHBondContact NH1-OE1 3.18Å; R32-E323 IonicContact NH2-OE1 3.71Å; R32-E323 PolarHBondContact NH2-OE1 2.95Å |
| 33 | Y | 78.4 | Confident | 85 | Confident | 178 Ų | 178 | 57.1 Ų | 57.1 | 70% | 0.698 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.8 | -34.8 | -177.2 | -63 | -62.8 | 0 | 0 | 0 | 113.8 | N35 I36 F37 | Y33-N35 PolarHBondContact O-N 3.18Å; Y33-I36 PolarHBondContact O-N 3.3Å; Y33-F37 WeakPolarHBondContact O-CB 3.39Å; Y33-F37 PolarHBondContact O-N 2.89Å |
| 34 | A | 79.6 | Confident | 85.2 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R32 F37 F38 P319 | R32-A34 PolarHBondContact O-N 3.3Å; A34-F37 WeakPolarHBondContact O-CB 3.42Å; A34-F37 PolarHBondContact O-N 2.71Å; A34-F38 HydrophobicContact CB-CE2 4.17Å; A34-F38 WeakPolarHBondContact O-CD2 3.44Å; A34-F38 PolarHBondContact O-N 3.07Å; A34-P319 HydrophobicContact CB-CG 4.49Å |
| 35 | N | 83.5 | Confident | 85.6 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.1 | -39 | 179.2 | -70.4 | -11.8 | 0 | 0 | 0 | 111.4 | Q29 F30 R32 Y33 L39 | Q29-N35 PolarHBondContact O-ND2 3.17Å; F30-N35 HydrophobicContact CD1-CB 4.09Å; F30-N35 HydrophobicContact CE1-CB 4.18Å; R32-N35 PolarHBondContact O-N 2.96Å; R32-N35 VanDerWaalsContact O-N 3.08Å; Y33-N35 PolarHBondContact O-N 3.18Å; N35-L39 WeakPolarHBondContact O-CB 3.46Å; N35-L39 PolarHBondContact O-N 2.93Å |
| 36 | I | 87.2 | Confident | 85.9 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 172.6 | -58.1 | 174.9 | 0 | 0 | 0 | 109.9 | F30 R32 Y33 F38 L39 V40 | F30-I36 HydrophobicContact CD1-CG1 4.28Å; F30-I36 VanDerWaalsContact O-CD1 3.26Å; F30-I36 WeakPolarHBondContact O-CD1 3.41Å; F30-I36 WeakPolarHBondContact O-CG1 3.39Å; R32-I36 PolarHBondContact O-N 2.89Å; Y33-I36 PolarHBondContact O-N 3.3Å; I36-F38 PolarHBondContact O-N 2.99Å; I36-L39 PolarHBondContact O-N 3Å; I36-V40 HydrophobicContact CG2-CG2 4.41Å; I36-V40 WeakPolarHBondContact O-CG2 3.42Å; I36-V40 PolarHBondContact O-N 3.23Å |
| 37 | F | 88.2 | Confident | 86 | Confident | 25 Ų | 25 | 53 Ų | 53 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57 | -50.6 | 179.3 | 170.3 | -103.8 | 0 | 0 | 0 | 111.7 | Y33 A34 L39 V40 I41 F259 L262 N311 I314 | Y33-F37 WeakPolarHBondContact O-CB 3.39Å; Y33-F37 PolarHBondContact O-N 2.89Å; A34-F37 WeakPolarHBondContact O-CB 3.42Å; A34-F37 PolarHBondContact O-N 2.71Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 3.34Å; F37-V40 PolarHBondContact O-N 3.33Å; F37-I41 HydrophobicContact CD2-CG1 4.26Å; F37-I41 HydrophobicContact CE1-CG1 4.17Å; F37-I41 HydrophobicContact CE2-CD1 3.97Å; F37-I41 HydrophobicContact CE2-CG1 3.8Å; F37-I41 HydrophobicContact CZ-CD1 4.13Å; F37-I41 HydrophobicContact CZ-CG1 3.75Å; F37-I41 WeakPolarHBondContact O-CG1 3.43Å; F37-I41 PolarHBondContact O-N 3.44Å; F37-F259 HydrophobicContact CD2-CD2 4.02Å; F37-F259 AromaticContact CD2-CE2 3.73Å; F37-F259 HydrophobicContact CD2-CE2 3.73Å; F37-F259 AromaticContact CE2-CD2 3.97Å; F37-F259 HydrophobicContact CE2-CD2 3.97Å; F37-F259 AromaticContact CE2-CE2 3.72Å; F37-F259 HydrophobicContact CE2-CE2 3.72Å; F37-L262 HydrophobicContact CE1-CD2 4.5Å; F37-L262 HydrophobicContact CE2-CD2 3.71Å; F37-L262 HydrophobicContact CZ-CD2 3.44Å; F37-L262 VanDerWaalsContact CZ-CD2 3.44Å; F37-N311 HydrophobicContact CE1-CB 4.43Å; F37-N311 WeakPolarHBondContact CE1-O 3.3Å; F37-N311 HydrophobicContact CZ-CB 4.09Å; F37-I314 HydrophobicContact CD1-CD1 4.09Å; F37-I314 HydrophobicContact CE1-CB 4.25Å; F37-I314 HydrophobicContact CE1-CD1 3.87Å; F37-I314 HydrophobicContact CE1-CG1 4.44Å; F37-I314 HydrophobicContact CZ-CD1 4.14Å |
| 38 | F | 88.2 | Confident | 86 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.9 | -31.4 | 179.6 | -64.2 | -53.7 | 0 | 0 | 0 | 113.5 | A34 I36 I41 A42 T58 L62 I314 I316 | A34-F38 HydrophobicContact CB-CE2 4.17Å; A34-F38 WeakPolarHBondContact O-CD2 3.44Å; A34-F38 PolarHBondContact O-N 3.07Å; I36-F38 PolarHBondContact O-N 2.99Å; F38-I41 PolarHBondContact O-N 2.53Å; F38-A42 VanDerWaalsContact O-CB 3.24Å; F38-A42 WeakPolarHBondContact O-CB 3.38Å; F38-A42 PolarHBondContact O-N 3.31Å; F38-T58 HydrophobicContact CB-CG2 4.24Å; F38-T58 HydrophobicContact CD1-CG2 4.26Å; F38-L62 HydrophobicContact CB-CD1 4.15Å; F38-L62 HydrophobicContact CB-CD2 4.42Å; F38-I314 HydrophobicContact CE2-CG2 4.44Å; F38-I314 HydrophobicContact CZ-CB 4.08Å; F38-I314 HydrophobicContact CZ-CG2 3.8Å; F38-I314 WeakPolarHBondContact CZ-O 3.4Å; F38-I316 HydrophobicContact CD1-CD1 4.29Å; F38-I316 HydrophobicContact CD1-CG1 3.91Å; F38-I316 HydrophobicContact CD1-CG2 4.36Å; F38-I316 HydrophobicContact CD2-CG2 3.99Å; F38-I316 HydrophobicContact CE1-CB 4.26Å; F38-I316 HydrophobicContact CE1-CD1 4.25Å; F38-I316 HydrophobicContact CE1-CG1 3.49Å; F38-I316 VanDerWaalsContact CE1-CG1 3.49Å; F38-I316 HydrophobicContact CE1-CG2 4.48Å; F38-I316 HydrophobicContact CE2-CB 4.18Å; F38-I316 HydrophobicContact CE2-CG1 4.3Å; F38-I316 HydrophobicContact CE2-CG2 4.09Å; F38-I316 HydrophobicContact CG-CG2 4.15Å; F38-I316 HydrophobicContact CZ-CB 4.02Å; F38-I316 HydrophobicContact CZ-CG1 3.7Å; F38-I316 HydrophobicContact CZ-CG2 4.33Å |
| 39 | L | 90 | Very high | 86.1 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 171.8 | 179.2 | 68.4 | 0 | 0 | 0 | 111 | F30 N35 I36 F37 I41 A42 L43 L62 | F30-L39 HydrophobicContact CD1-CD2 4.23Å; F30-L39 HydrophobicContact CE1-CB 3.84Å; F30-L39 HydrophobicContact CE1-CD2 3.59Å; F30-L39 HydrophobicContact CE1-CG 4.22Å; F30-L39 HydrophobicContact CZ-CB 4.47Å; F30-L39 HydrophobicContact CZ-CD2 3.86Å; N35-L39 WeakPolarHBondContact O-CB 3.46Å; N35-L39 PolarHBondContact O-N 2.93Å; I36-L39 PolarHBondContact O-N 3Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 3.34Å; L39-I41 VanDerWaalsContact C-N 3.33Å; L39-I41 PolarHBondContact O-N 2.88Å; L39-A42 PolarHBondContact O-N 2.96Å; L39-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 WeakPolarHBondContact O-CG 3.49Å; L39-L43 PolarHBondContact O-N 2.79Å; L39-L62 HydrophobicContact CB-CD2 4.36Å |
| 40 | V | 91.5 | Very high | 86.2 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 44% | 0.436 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | I36 F37 A42 L43 L44 | I36-V40 HydrophobicContact CG2-CG2 4.41Å; I36-V40 WeakPolarHBondContact O-CG2 3.42Å; I36-V40 PolarHBondContact O-N 3.23Å; F37-V40 PolarHBondContact O-N 3.33Å; V40-A42 PolarHBondContact O-N 3.17Å; V40-L43 PolarHBondContact O-N 3.49Å; V40-L44 HydrophobicContact CG1-CD1 4.02Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CG 3.27Å; V40-L44 PolarHBondContact O-N 3.4Å |
| 41 | I | 91.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 177.4 | -60.2 | -65.1 | 0 | 0 | 0 | 111.8 | F37 F38 L39 L43 L44 Q45 L307 I308 N311 | F37-I41 HydrophobicContact CD2-CG1 4.26Å; F37-I41 HydrophobicContact CE1-CG1 4.17Å; F37-I41 HydrophobicContact CE2-CD1 3.97Å; F37-I41 HydrophobicContact CE2-CG1 3.8Å; F37-I41 HydrophobicContact CZ-CD1 4.13Å; F37-I41 HydrophobicContact CZ-CG1 3.75Å; F37-I41 WeakPolarHBondContact O-CG1 3.43Å; F37-I41 PolarHBondContact O-N 3.44Å; F38-I41 PolarHBondContact O-N 2.53Å; L39-I41 VanDerWaalsContact C-N 3.33Å; L39-I41 PolarHBondContact O-N 2.88Å; I41-L43 VanDerWaalsContact C-N 3.28Å; I41-L43 PolarHBondContact O-N 3.41Å; I41-L44 HydrophobicContact CD1-CD1 4.39Å; I41-L44 PolarHBondContact O-N 3.37Å; I41-Q45 HydrophobicContact CG2-CG 4.31Å; I41-Q45 WeakPolarHBondContact O-CB 3.28Å; I41-Q45 WeakPolarHBondContact O-CG 3.42Å; I41-Q45 PolarHBondContact O-N 2.81Å; I41-L307 HydrophobicContact CD1-CD2 4Å; I41-L307 HydrophobicContact CD1-CG 3.97Å; I41-I308 HydrophobicContact CG2-CG1 4.41Å; I41-N311 HydrophobicContact CD1-CB 4.24Å; I41-N311 HydrophobicContact CG1-CB 4.11Å; I41-N311 HydrophobicContact CG2-CB 3.94Å; I41-N311 WeakPolarHBondContact CG2-ND2 2.95Å |
| 42 | A | 89.7 | Confident | 86.3 | Confident | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F38 L39 V40 Q46 T58 L59 | F38-A42 VanDerWaalsContact O-CB 3.24Å; F38-A42 WeakPolarHBondContact O-CB 3.38Å; F38-A42 PolarHBondContact O-N 3.31Å; L39-A42 PolarHBondContact O-N 2.96Å; V40-A42 PolarHBondContact O-N 3.17Å; A42-Q46 WeakPolarHBondContact O-CG 3.42Å; A42-Q46 PolarHBondContact O-NE2 2.92Å; A42-T58 HydrophobicContact CB-CG2 4.44Å; A42-L59 HydrophobicContact CB-CB 4.39Å; A42-L59 HydrophobicContact CB-CD1 4.36Å |
| 43 | L | 92.2 | Very high | 86.6 | Confident | 112 Ų | 112 | 45.3 Ų | 45.3 | 59% | 0.586 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.5 | -45.1 | 173 | -69 | 172.6 | 0 | 0 | 0 | 111.7 | L39 V40 I41 Q45 Q46 | L39-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 WeakPolarHBondContact O-CG 3.49Å; L39-L43 PolarHBondContact O-N 2.79Å; V40-L43 PolarHBondContact O-N 3.49Å; I41-L43 VanDerWaalsContact C-N 3.28Å; I41-L43 PolarHBondContact O-N 3.41Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3.13Å; L43-Q46 WeakPolarHBondContact O-CB 3.31Å; L43-Q46 PolarHBondContact O-N 2.74Å; L43-Q46 VanDerWaalsContact O-N 3.09Å |
| 44 | L | 91.7 | Very high | 86.8 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -34.1 | 176.3 | -69.6 | 173.8 | 0 | 0 | 0 | 112.4 | V40 I41 Q46 I47 I304 L307 I308 | V40-L44 HydrophobicContact CG1-CD1 4.02Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CG 3.27Å; V40-L44 PolarHBondContact O-N 3.4Å; I41-L44 HydrophobicContact CD1-CD1 4.39Å; I41-L44 PolarHBondContact O-N 3.37Å; L44-Q46 PolarHBondContact O-N 2.84Å; L44-I47 HydrophobicContact CD2-CD1 4.06Å; L44-I47 WeakPolarHBondContact O-CB 3.44Å; L44-I47 WeakPolarHBondContact O-CG1 3.49Å; L44-I47 PolarHBondContact O-N 2.94Å; L44-I304 HydrophobicContact CB-CG2 4.13Å; L44-I304 HydrophobicContact CD1-CG2 4.36Å; L44-I304 HydrophobicContact CD2-CD1 4.47Å; L44-I304 HydrophobicContact CD2-CG2 4.31Å; L44-L307 HydrophobicContact CD1-CD2 4.17Å; L44-I308 HydrophobicContact CB-CD1 4.37Å |
| 45 | Q | 90.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.6 | 175.1 | -80.4 | -176.8 | -24.9 | 0 | 0 | 114.1 | I41 L43 I47 T53 T58 I308 | I41-Q45 HydrophobicContact CG2-CG 4.31Å; I41-Q45 WeakPolarHBondContact O-CB 3.28Å; I41-Q45 WeakPolarHBondContact O-CG 3.42Å; I41-Q45 PolarHBondContact O-N 2.81Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3.13Å; Q45-I47 VanDerWaalsContact C-N 3.28Å; Q45-T53 PolarHBondContact NE2-OG1 3.45Å; Q45-T58 PolarHBondContact NE2-OG1 2.95Å; Q45-T58 VanDerWaalsContact NE2-OG1 3.08Å; Q45-T58 PolarHBondContact OE1-OG1 3.11Å; Q45-I308 HydrophobicContact CG-CD1 3.91Å; Q45-I308 HydrophobicContact CG-CG1 4.17Å; Q45-I308 HydrophobicContact CG-CG2 3.72Å |
| 46 | Q | 92.4 | Very high | 87.1 | Confident | 71 Ų | 71 | 49 Ų | 49 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -14.7 | 175.6 | -56.4 | -43 | -53.4 | 0 | 0 | 112.9 | A42 L43 L44 R55 | A42-Q46 WeakPolarHBondContact O-CG 3.42Å; A42-Q46 PolarHBondContact O-NE2 2.92Å; L43-Q46 WeakPolarHBondContact O-CB 3.31Å; L43-Q46 PolarHBondContact O-N 2.74Å; L43-Q46 VanDerWaalsContact O-N 3.09Å; L44-Q46 PolarHBondContact O-N 2.84Å; Q46-R55 PolarHBondContact NE2-O 2.82Å |
| 47 | I | 88.8 | Confident | 86.9 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -67.4 | 122.5 | 179.2 | -55.2 | 173.6 | 0 | 0 | 0 | 109 | L44 Q45 G49 V50 L301 | L44-I47 HydrophobicContact CD2-CD1 4.06Å; L44-I47 WeakPolarHBondContact O-CB 3.44Å; L44-I47 WeakPolarHBondContact O-CG1 3.49Å; L44-I47 PolarHBondContact O-N 2.94Å; Q45-I47 VanDerWaalsContact C-N 3.28Å; I47-G49 PolarHBondContact O-N 3.02Å; I47-V50 HydrophobicContact CB-CB 4.34Å; I47-V50 HydrophobicContact CB-CG2 3.89Å; I47-V50 HydrophobicContact CG2-CB 4.48Å; I47-V50 HydrophobicContact CG2-CG2 3.52Å; I47-V50 PolarHBondContact O-N 2.81Å; I47-L301 HydrophobicContact CG2-CD2 4.18Å |
| 48 | P | 83.9 | Confident | 86.7 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 60% | 0.597 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 135.5 | -177.1 | 26.1 | -33.8 | 0 | 0 | 0 | 111.2 | V50 | P48-V50 VanDerWaalsContact C-N 3.33Å; P48-V50 PolarHBondContact O-N 2.85Å |
| 49 | G | 79.7 | Confident | 86.6 | Confident | 89 Ų | 89 | 47.9 Ų | 47.9 | 92% | 0.918 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -3.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | I47 | I47-G49 PolarHBondContact O-N 3.02Š|
| 50 | V | 84.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -39.1 | -175.6 | -172.7 | 0 | 0 | 0 | 0 | 113.2 | I47 P48 P52 L301 I304 T305 I308 | I47-V50 HydrophobicContact CB-CB 4.34Å; I47-V50 HydrophobicContact CB-CG2 3.89Å; I47-V50 HydrophobicContact CG2-CB 4.48Å; I47-V50 HydrophobicContact CG2-CG2 3.52Å; I47-V50 PolarHBondContact O-N 2.81Å; P48-V50 VanDerWaalsContact C-N 3.33Å; P48-V50 PolarHBondContact O-N 2.85Å; V50-P52 WeakPolarHBondContact O-CD 3.2Å; V50-L301 HydrophobicContact CG2-CB 4.21Å; V50-L301 HydrophobicContact CG2-CD2 3.41Å; V50-L301 VanDerWaalsContact CG2-CD2 3.41Å; V50-L301 HydrophobicContact CG2-CG 4.26Å; V50-I304 HydrophobicContact CG1-CB 3.8Å; V50-I304 HydrophobicContact CG1-CG2 3.52Å; V50-T305 PolarHBondContact O-OG1 2.84Å; V50-I308 HydrophobicContact CG1-CD1 4.02Å |
| 51 | S | 86.4 | Confident | 85.8 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | trans | -74.4 | 116.5 | -174 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | G54 | S51-G54 VanDerWaalsContact OG-C 3.3Å; S51-G54 PolarHBondContact OG-N 2.81Å; S51-G54 VanDerWaalsContact OG-N 3.12Å; S51-G54 PolarHBondContact OG-O 3.29Å | ||
| 52 | P | 79.9 | Confident | 85.4 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -76.9 | -28.1 | 176 | 31.6 | -33 | 0 | 0 | 0 | 111.9 | V50 T305 I308 L309 I853 | V50-P52 WeakPolarHBondContact O-CD 3.2Å; P52-T305 HydrophobicContact CB-CG2 4.46Å; P52-T305 HydrophobicContact CG-CG2 4.22Å; P52-I308 HydrophobicContact CG-CG2 4.37Å; P52-L309 HydrophobicContact CG-CB 4.44Å; P52-L309 HydrophobicContact CG-CD1 4.12Å; P52-I853 HydrophobicContact CB-CG2 4.01Å; P52-I853 WeakPolarHBondContact O-CD1 3.5Å |
| 53 | T | 80.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -95.3 | -12.6 | -173.4 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | Q45 T57 I853 R857 I860 | Q45-T53 PolarHBondContact NE2-OG1 3.45Å; T53-T57 PolarHBondContact O-OG1 2.86Å; T53-I853 HydrophobicContact CG2-CG2 4.18Å; T53-R857 VanDerWaalsContact O-CB 3.3Å; T53-R857 WeakPolarHBondContact O-CB 3.11Å; T53-R857 WeakPolarHBondContact O-CG 3.22Å; T53-I860 HydrophobicContact CG2-CD1 3.95Å |
| 54 | G | 82.4 | Confident | 84.8 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | trans | 114.7 | 162.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S51 | S51-G54 VanDerWaalsContact OG-C 3.3Å; S51-G54 PolarHBondContact OG-N 2.81Å; S51-G54 VanDerWaalsContact OG-N 3.12Å; S51-G54 PolarHBondContact OG-O 3.29Å | ||
| 55 | R | 85.8 | Confident | 84.3 | Confident | 131 Ų | 131 | 46.1 Ų | 46.1 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -76.5 | -27.5 | -176.3 | -65.9 | -173.6 | -179.3 | 169 | 1.2 | 113.9 | Q46 | Q46-R55 PolarHBondContact NE2-O 2.82Š|
| 56 | F | 84.8 | Confident | 84 | Confident | 117 Ų | 117 | 47.8 Ų | 47.8 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -105.2 | -3.5 | -171.7 | -63.1 | -66.1 | 0 | 0 | 0 | 113.7 | T58 L59 V60 | F56-T58 PolarHBondContact O-N 2.89Å; F56-L59 HydrophobicContact CD1-CD2 4.21Å; F56-L59 PolarHBondContact O-N 3.43Å; F56-V60 HydrophobicContact CB-CG2 4.01Å; F56-V60 WeakPolarHBondContact O-CB 3.39Å; F56-V60 WeakPolarHBondContact O-CG2 3.44Å; F56-V60 PolarHBondContact O-N 2.74Å |
| 57 | T | 81.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -33.5 | -170 | -45.3 | 0 | 0 | 0 | 0 | 113.1 | T53 P61 | T53-T57 PolarHBondContact O-OG1 2.86Å; T57-P61 WeakPolarHBondContact O-CD 3.29Å; T57-P61 VanDerWaalsContact O-CG 3.28Å; T57-P61 WeakPolarHBondContact O-CG 3.32Å |
| 58 | T | 84.2 | Confident | 83.5 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -36.5 | 173.2 | -47.9 | 0 | 0 | 0 | 0 | 112.2 | F38 A42 Q45 F56 P61 L62 N311 I316 | F38-T58 HydrophobicContact CB-CG2 4.24Å; F38-T58 HydrophobicContact CD1-CG2 4.26Å; A42-T58 HydrophobicContact CB-CG2 4.44Å; Q45-T58 PolarHBondContact NE2-OG1 2.95Å; Q45-T58 VanDerWaalsContact NE2-OG1 3.08Å; Q45-T58 PolarHBondContact OE1-OG1 3.11Å; F56-T58 PolarHBondContact O-N 2.89Å; T58-P61 WeakPolarHBondContact O-CD 3.22Å; T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 3.07Å; T58-L62 VanDerWaalsContact O-N 3.07Å; T58-N311 PolarHBondContact OG1-ND2 3.36Å; T58-I316 HydrophobicContact CG2-CD1 4.14Å |
| 59 | L | 85.8 | Confident | 83.2 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 29% | 0.293 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | -175.2 | -176.9 | 63.6 | 0 | 0 | 0 | 112.2 | A42 F56 L62 C63 | A42-L59 HydrophobicContact CB-CB 4.39Å; A42-L59 HydrophobicContact CB-CD1 4.36Å; F56-L59 HydrophobicContact CD1-CD2 4.21Å; F56-L59 PolarHBondContact O-N 3.43Å; L59-L62 PolarHBondContact O-N 3.33Å; L59-C63 WeakPolarHBondContact O-CB 3.33Å; L59-C63 PolarHBondContact O-N 3.1Å; L59-C63 PolarHBondContact O-SG 3.48Å |
| 60 | V | 84.6 | Confident | 83.5 | Confident | 61 Ų | 61 | 40.6 Ų | 40.6 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -51.7 | -178.7 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | F56 L62 C63 I64 | F56-V60 HydrophobicContact CB-CG2 4.01Å; F56-V60 WeakPolarHBondContact O-CB 3.39Å; F56-V60 WeakPolarHBondContact O-CG2 3.44Å; F56-V60 PolarHBondContact O-N 2.74Å; V60-L62 VanDerWaalsContact C-N 3.32Å; V60-L62 PolarHBondContact O-N 2.98Å; V60-C63 PolarHBondContact O-N 3.09Å; V60-I64 HydrophobicContact CG1-CD1 3.92Å; V60-I64 WeakPolarHBondContact O-CG1 3.28Å; V60-I64 PolarHBondContact O-N 2.91Å |
| 61 | P | 79.5 | Confident | 83.6 | Confident | 19 Ų | 19 | 45 Ų | 45 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.5 | -41.9 | 172.6 | -27.9 | 36 | 0 | 0 | 0 | 113.5 | T57 T58 I64 I65 I316 | T57-P61 WeakPolarHBondContact O-CD 3.29Å; T57-P61 VanDerWaalsContact O-CG 3.28Å; T57-P61 WeakPolarHBondContact O-CG 3.32Å; T58-P61 WeakPolarHBondContact O-CD 3.22Å; P61-I64 PolarHBondContact O-N 3.38Å; P61-I65 WeakPolarHBondContact O-CB 3.45Å; P61-I65 WeakPolarHBondContact O-CD1 3.48Å; P61-I65 WeakPolarHBondContact O-CG1 3.25Å; P61-I65 PolarHBondContact O-N 2.88Å; P61-I316 HydrophobicContact CB-CG2 4.47Å |
| 62 | L | 84.1 | Confident | 83.3 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 178.6 | -177.3 | 64.7 | 0 | 0 | 0 | 112.1 | F38 L39 T58 L59 V60 I65 L66 | F38-L62 HydrophobicContact CB-CD1 4.15Å; F38-L62 HydrophobicContact CB-CD2 4.42Å; L39-L62 HydrophobicContact CB-CD2 4.36Å; T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 3.07Å; T58-L62 VanDerWaalsContact O-N 3.07Å; L59-L62 PolarHBondContact O-N 3.33Å; V60-L62 VanDerWaalsContact C-N 3.32Å; V60-L62 PolarHBondContact O-N 2.98Å; L62-I65 WeakPolarHBondContact O-CB 3.47Å; L62-I65 PolarHBondContact O-N 3.1Å; L62-L66 HydrophobicContact CD1-CD1 4.47Å; L62-L66 HydrophobicContact CD1-CG 4.47Å; L62-L66 HydrophobicContact CG-CD1 4.24Å; L62-L66 WeakPolarHBondContact O-CG 3.2Å; L62-L66 PolarHBondContact O-N 3.13Å |
| 63 | C | 86.4 | Confident | 83.2 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 42% | 0.419 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.2 | -72 | 0 | 0 | 0 | 0 | 112 | L59 V60 I65 L66 T67 | L59-C63 WeakPolarHBondContact O-CB 3.33Å; L59-C63 PolarHBondContact O-N 3.1Å; L59-C63 PolarHBondContact O-SG 3.48Å; V60-C63 PolarHBondContact O-N 3.09Å; C63-I65 VanDerWaalsContact C-N 3.32Å; C63-I65 PolarHBondContact O-N 3.01Å; C63-L66 PolarHBondContact O-N 2.89Å; C63-T67 WeakPolarHBondContact O-CB 3.46Å; C63-T67 PolarHBondContact O-N 3.5Å; C63-T67 PolarHBondContact O-OG1 2.83Å |
| 64 | I | 83.2 | Confident | 83.4 | Confident | 94 Ų | 94 | 48.2 Ų | 48.2 | 48% | 0.482 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 175.5 | -67.9 | 167.2 | 0 | 0 | 0 | 109.8 | V60 P61 T67 V68 | V60-I64 HydrophobicContact CG1-CD1 3.92Å; V60-I64 WeakPolarHBondContact O-CG1 3.28Å; V60-I64 PolarHBondContact O-N 2.91Å; P61-I64 PolarHBondContact O-N 3.38Å; I64-T67 PolarHBondContact O-N 3.06Å; I64-V68 HydrophobicContact CG2-CG2 4.45Å; I64-V68 WeakPolarHBondContact O-CG2 3.4Å; I64-V68 PolarHBondContact O-N 3.1Å |
| 65 | I | 79.5 | Confident | 83.4 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -52.5 | 178.1 | -75.6 | 164.7 | 0 | 0 | 0 | 111.2 | P61 L62 C63 T67 V68 S69 I316 V320 | P61-I65 WeakPolarHBondContact O-CB 3.45Å; P61-I65 WeakPolarHBondContact O-CD1 3.48Å; P61-I65 WeakPolarHBondContact O-CG1 3.25Å; P61-I65 PolarHBondContact O-N 2.88Å; L62-I65 WeakPolarHBondContact O-CB 3.47Å; L62-I65 PolarHBondContact O-N 3.1Å; C63-I65 VanDerWaalsContact C-N 3.32Å; C63-I65 PolarHBondContact O-N 3.01Å; I65-T67 VanDerWaalsContact C-N 3.27Å; I65-T67 PolarHBondContact O-N 3.26Å; I65-V68 PolarHBondContact O-N 3.16Å; I65-S69 PolarHBondContact O-N 3.16Å; I65-S69 VanDerWaalsContact O-N 3.07Å; I65-S69 PolarHBondContact O-OG 3.43Å; I65-I316 HydrophobicContact CD1-CG2 3.57Å; I65-I316 VanDerWaalsContact CD1-O 3.3Å; I65-I316 WeakPolarHBondContact CD1-O 3.3Å; I65-V320 HydrophobicContact CB-CG2 3.68Å; I65-V320 HydrophobicContact CD1-CG2 4.45Å; I65-V320 HydrophobicContact CG1-CB 4.33Å; I65-V320 HydrophobicContact CG1-CG2 3.56Å; I65-V320 HydrophobicContact CG2-CG2 3.26Å |
| 66 | L | 84.9 | Confident | 82.6 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 179.6 | -69 | 174.8 | 0 | 0 | 0 | 112 | F25 Q29 F30 L62 C63 A70 | F25-L66 WeakPolarHBondContact CZ-O 3.44Å; Q29-L66 HydrophobicContact CB-CD2 3.93Å; Q29-L66 HydrophobicContact CG-CD2 4.1Å; F30-L66 HydrophobicContact CZ-CD1 4.32Å; L62-L66 HydrophobicContact CD1-CD1 4.47Å; L62-L66 HydrophobicContact CD1-CG 4.47Å; L62-L66 HydrophobicContact CG-CD1 4.24Å; L62-L66 WeakPolarHBondContact O-CG 3.2Å; L62-L66 PolarHBondContact O-N 3.13Å; C63-L66 PolarHBondContact O-N 2.89Å; L66-A70 VanDerWaalsContact O-CB 3.28Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 2.9Å |
| 67 | T | 87.7 | Confident | 82.1 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68 | -45 | 177.6 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | C63 I64 I65 S69 A70 I71 | C63-T67 WeakPolarHBondContact O-CB 3.46Å; C63-T67 PolarHBondContact O-N 3.5Å; C63-T67 PolarHBondContact O-OG1 2.83Å; I64-T67 PolarHBondContact O-N 3.06Å; I65-T67 VanDerWaalsContact C-N 3.27Å; I65-T67 PolarHBondContact O-N 3.26Å; T67-S69 PolarHBondContact O-N 3.02Å; T67-A70 WeakPolarHBondContact O-CB 3.28Å; T67-A70 PolarHBondContact O-N 3.5Å; T67-I71 HydrophobicContact CG2-CD1 4.05Å; T67-I71 WeakPolarHBondContact O-CG1 3.45Å; T67-I71 PolarHBondContact O-N 2.97Å |
| 68 | V | 82.4 | Confident | 82.1 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | I64 I65 A70 I71 K72 V320 | I64-V68 HydrophobicContact CG2-CG2 4.45Å; I64-V68 WeakPolarHBondContact O-CG2 3.4Å; I64-V68 PolarHBondContact O-N 3.1Å; I65-V68 PolarHBondContact O-N 3.16Å; V68-A70 VanDerWaalsContact C-N 3.32Å; V68-A70 PolarHBondContact O-N 3.16Å; V68-I71 PolarHBondContact O-N 2.95Å; V68-K72 PolarHBondContact O-N 3.47Å; V68-K72 VanDerWaalsContact O-N 3.1Å; V68-V320 HydrophobicContact CG1-CG1 4.24Å |
| 69 | S | 79.1 | Confident | 81.5 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | I65 T67 E73 E323 | I65-S69 PolarHBondContact O-N 3.16Å; I65-S69 VanDerWaalsContact O-N 3.07Å; I65-S69 PolarHBondContact O-OG 3.43Å; T67-S69 PolarHBondContact O-N 3.02Å; S69-E73 PolarHBondContact O-N 2.99Å; S69-E73 VanDerWaalsContact O-N 3.14Å; S69-E323 PolarHBondContact OG-OE2 2.92Å |
| 70 | A | 86 | Confident | 80.7 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F21 F25 L66 T67 V68 K72 E73 V74 | F21-A70 HydrophobicContact CZ-CB 4.46Å; F25-A70 HydrophobicContact CE1-CB 3.82Å; F25-A70 HydrophobicContact CE2-CB 4.05Å; F25-A70 VanDerWaalsContact CZ-CA 3.47Å; F25-A70 HydrophobicContact CZ-CB 3.53Å; L66-A70 VanDerWaalsContact O-CB 3.28Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 2.9Å; T67-A70 WeakPolarHBondContact O-CB 3.28Å; T67-A70 PolarHBondContact O-N 3.5Å; V68-A70 VanDerWaalsContact C-N 3.32Å; V68-A70 PolarHBondContact O-N 3.16Å; A70-K72 VanDerWaalsContact C-N 3.27Å; A70-K72 PolarHBondContact O-N 3.09Å; A70-E73 PolarHBondContact O-N 2.67Å; A70-V74 WeakPolarHBondContact O-CG2 3.3Å; A70-V74 PolarHBondContact O-N 3.27Å |
| 71 | I | 87.3 | Confident | 80.2 | Confident | 97 Ų | 97 | 57.2 Ų | 57.2 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 176.9 | -69.6 | 167.1 | 0 | 0 | 0 | 110.1 | T67 V68 V74 I75 | T67-I71 HydrophobicContact CG2-CD1 4.05Å; T67-I71 WeakPolarHBondContact O-CG1 3.45Å; T67-I71 PolarHBondContact O-N 2.97Å; V68-I71 PolarHBondContact O-N 2.95Å; I71-V74 PolarHBondContact O-N 3.18Å; I71-I75 HydrophobicContact CG2-CD1 3.84Å; I71-I75 VanDerWaalsContact O-CG1 3.3Å; I71-I75 WeakPolarHBondContact O-CG1 3.36Å; I71-I75 PolarHBondContact O-N 3.28Å |
| 72 | K | 79.2 | Confident | 80.1 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.1 | -52.7 | 176.6 | -174 | -157.6 | 170.6 | -156.1 | 0 | 111.9 | V68 A70 V74 I75 E76 | V68-K72 PolarHBondContact O-N 3.47Å; V68-K72 VanDerWaalsContact O-N 3.1Å; A70-K72 VanDerWaalsContact C-N 3.27Å; A70-K72 PolarHBondContact O-N 3.09Å; K72-V74 VanDerWaalsContact C-N 3.32Å; K72-V74 PolarHBondContact O-N 3.35Å; K72-I75 PolarHBondContact O-N 2.96Å; K72-E76 WeakPolarHBondContact CE-OE1 3.38Å; K72-E76 IonicContact NZ-OE1 2.7Å; K72-E76 PolarHBondContact NZ-OE1 3.33Å; K72-E76 PolarHBondContact O-N 2.98Å |
| 73 | E | 78.2 | Confident | 79.4 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | -179.5 | -72 | -67.5 | 151 | 0 | 0 | 112.3 | K15 Y16 F21 F25 S69 A70 E76 D77 | K15-E73 IonicContact NZ-OE1 3.06Å; K15-E73 IonicContact NZ-OE2 2.64Å; K15-E73 PolarHBondContact NZ-OE2 3.3Å; Y16-E73 HydrophobicContact CE2-CB 4.44Å; Y16-E73 PolarHBondContact OH-OE2 3.09Å; F21-E73 HydrophobicContact CE2-CB 4.39Å; F25-E73 HydrophobicContact CD2-CB 4.45Å; F25-E73 HydrophobicContact CD2-CG 4.2Å; F25-E73 HydrophobicContact CE2-CG 4.18Å; S69-E73 PolarHBondContact O-N 2.99Å; S69-E73 VanDerWaalsContact O-N 3.14Å; A70-E73 PolarHBondContact O-N 2.67Å; E73-E76 PolarHBondContact O-N 3.47Å; E73-D77 WeakPolarHBondContact O-CB 3.25Å; E73-D77 PolarHBondContact O-N 3.31Å |
| 74 | V | 84.5 | Confident | 78.7 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.7 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | F21 A70 I71 K72 E76 D77 F78 | F21-V74 HydrophobicContact CE1-CG2 4.05Å; F21-V74 HydrophobicContact CE2-CG2 3.69Å; F21-V74 HydrophobicContact CZ-CG2 3.41Å; F21-V74 VanDerWaalsContact CZ-CG2 3.41Å; A70-V74 WeakPolarHBondContact O-CG2 3.3Å; A70-V74 PolarHBondContact O-N 3.27Å; I71-V74 PolarHBondContact O-N 3.18Å; K72-V74 VanDerWaalsContact C-N 3.32Å; K72-V74 PolarHBondContact O-N 3.35Å; V74-E76 VanDerWaalsContact C-N 3.34Å; V74-D77 PolarHBondContact O-N 3.21Å; V74-F78 VanDerWaalsContact O-CB 3.27Å; V74-F78 WeakPolarHBondContact O-CB 3.31Å; V74-F78 PolarHBondContact O-N 3.48Å |
| 75 | I | 81.9 | Confident | 78.6 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.8 | -67 | 166.4 | 0 | 0 | 0 | 110.6 | I71 K72 R79 | I71-I75 HydrophobicContact CG2-CD1 3.84Å; I71-I75 VanDerWaalsContact O-CG1 3.3Å; I71-I75 WeakPolarHBondContact O-CG1 3.36Å; I71-I75 PolarHBondContact O-N 3.28Å; K72-I75 PolarHBondContact O-N 2.96Å; I75-R79 WeakPolarHBondContact O-CG 3.48Å; I75-R79 PolarHBondContact O-N 3.46Å |
| 76 | E | 69.7 | Low | 78.6 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 177.2 | -73.9 | -174.3 | -169.7 | 0 | 0 | 112.3 | K72 E73 V74 R79 R80 | K72-E76 WeakPolarHBondContact CE-OE1 3.38Å; K72-E76 IonicContact NZ-OE1 2.7Å; K72-E76 PolarHBondContact NZ-OE1 3.33Å; K72-E76 PolarHBondContact O-N 2.98Å; E73-E76 PolarHBondContact O-N 3.47Å; V74-E76 VanDerWaalsContact C-N 3.34Å; E76-R79 PolarHBondContact O-N 3.27Å; E76-R80 PolarHBondContact O-N 2.93Å |
| 77 | D | 74.9 | Confident | 78 | Confident | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.059 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.7 | -35.6 | -178.4 | -153 | 56.7 | 0 | 0 | 0 | 112 | K15 Y16 E73 V74 R79 R80 H81 | K15-D77 PolarHBondContact N-OD1 3Å; Y16-D77 HydrophobicContact CD2-CB 4.05Å; Y16-D77 PolarHBondContact N-OD2 3.06Å; E73-D77 WeakPolarHBondContact O-CB 3.25Å; E73-D77 PolarHBondContact O-N 3.31Å; V74-D77 PolarHBondContact O-N 3.21Å; D77-R79 VanDerWaalsContact C-N 3.27Å; D77-R79 PolarHBondContact O-N 3.07Å; D77-R80 WeakPolarHBondContact O-CA 3.34Å; D77-R80 WeakPolarHBondContact O-CB 3.48Å; D77-R80 PolarHBondContact O-N 3.47Å; D77-H81 PolarHBondContact O-CD2 3.32Å; D77-H81 PolarHBondContact O-N 2.9Å; D77-H81 IonicContact OD2-CD2 3.32Å; D77-H81 IonicContact OD2-NE2 2.67Å; D77-H81 PolarHBondContact OD2-NE2 3.37Å; D77-H81 VanDerWaalsContact OD2-NE2 3.14Å |
| 78 | F | 80 | Confident | 77.8 | Confident | 142 Ų | 142 | 63.6 Ų | 63.6 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.9 | -38.1 | 173.7 | -174.3 | -97.5 | 0 | 0 | 0 | 112.2 | V74 R80 H81 R82 | V74-F78 VanDerWaalsContact O-CB 3.27Å; V74-F78 WeakPolarHBondContact O-CB 3.31Å; V74-F78 PolarHBondContact O-N 3.48Å; F78-R80 VanDerWaalsContact C-N 3.29Å; F78-R80 PolarHBondContact O-N 2.85Å; F78-H81 PolarHBondContact O-N 3.28Å; F78-R82 PolarHBondContact O-N 2.84Å |
| 79 | R | 73.3 | Confident | 78 | Confident | 161 Ų | 161 | 64.4 Ų | 64.4 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.8 | -34.2 | 173.7 | -72 | 175.4 | -179.1 | -174.1 | 0.3 | 112.2 | I75 E76 D77 A83 | I75-R79 WeakPolarHBondContact O-CG 3.48Å; I75-R79 PolarHBondContact O-N 3.46Å; E76-R79 PolarHBondContact O-N 3.27Å; D77-R79 VanDerWaalsContact C-N 3.27Å; D77-R79 PolarHBondContact O-N 3.07Å; R79-A83 PolarHBondContact O-N 3.18Å |
| 80 | R | 67.7 | Low | 78.2 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.9 | -46.1 | 175.7 | -68 | -173 | -178.4 | 138.5 | 4.7 | 112.1 | K15 E76 D77 F78 R82 A83 D84 | K15-R80 VanDerWaalsContact CE-NH1 3.31Å; E76-R80 PolarHBondContact O-N 2.93Å; D77-R80 WeakPolarHBondContact O-CA 3.34Å; D77-R80 WeakPolarHBondContact O-CB 3.48Å; D77-R80 PolarHBondContact O-N 3.47Å; F78-R80 VanDerWaalsContact C-N 3.29Å; F78-R80 PolarHBondContact O-N 2.85Å; R80-R82 VanDerWaalsContact C-N 3.27Å; R80-R82 PolarHBondContact O-N 2.94Å; R80-A83 WeakPolarHBondContact O-CB 3.45Å; R80-A83 PolarHBondContact O-N 3.11Å; R80-D84 VanDerWaalsContact O-CG 3.29Å; R80-D84 PolarHBondContact O-N 3.29Å |
| 81 | H | 74 | Confident | 78.4 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.9 | -43.1 | 174.1 | -74.4 | -67.9 | 0 | 0 | 0 | 111.6 | A14 Y16 D77 F78 A83 D84 D85 | A14-H81 WeakPolarHBondContact CB-CE1 3.48Å; A14-H81 VanDerWaalsContact CB-NE2 3.26Å; A14-H81 WeakPolarHBondContact CB-NE2 3.2Å; Y16-H81 PolarHBondContact O-NE2 2.96Å; D77-H81 PolarHBondContact O-CD2 3.32Å; D77-H81 PolarHBondContact O-N 2.9Å; D77-H81 IonicContact OD2-CD2 3.32Å; D77-H81 IonicContact OD2-NE2 2.67Å; D77-H81 PolarHBondContact OD2-NE2 3.37Å; D77-H81 VanDerWaalsContact OD2-NE2 3.14Å; F78-H81 PolarHBondContact O-N 3.28Å; H81-A83 VanDerWaalsContact C-N 3.3Å; H81-A83 PolarHBondContact O-N 3.29Å; H81-D84 PolarHBondContact O-N 2.92Å; H81-D85 WeakPolarHBondContact O-CB 3.12Å; H81-D85 VanDerWaalsContact O-CG 3.25Å; H81-D85 PolarHBondContact O-N 3.3Å |
| 82 | R | 78.7 | Confident | 78.5 | Confident | 190 Ų | 190 | 68.8 Ų | 68.8 | 72% | 0.717 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.4 | -36 | 176.2 | -170.8 | 177.1 | -179.1 | -179.4 | 0.3 | 113.3 | F78 R80 A86 | F78-R82 PolarHBondContact O-N 2.84Å; R80-R82 VanDerWaalsContact C-N 3.27Å; R80-R82 PolarHBondContact O-N 2.94Å; R82-A86 PolarHBondContact O-N 3.17Å |
| 83 | A | 67.7 | Low | 79.2 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.9 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R79 R80 H81 A86 T87 | R79-A83 PolarHBondContact O-N 3.18Å; R80-A83 WeakPolarHBondContact O-CB 3.45Å; R80-A83 PolarHBondContact O-N 3.11Å; H81-A83 VanDerWaalsContact C-N 3.3Å; H81-A83 PolarHBondContact O-N 3.29Å; A83-A86 PolarHBondContact O-N 2.9Å; A83-T87 PolarHBondContact O-N 3Å; A83-T87 PolarHBondContact O-OG1 2.94Å; A83-T87 VanDerWaalsContact O-OG1 3.1Å |
| 84 | D | 72.6 | Confident | 80 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.6 | -66.2 | -20.3 | 0 | 0 | 0 | 110.9 | F11 S12 T13 A14 R80 H81 A86 T87 N88 | F11-D84 HydrophobicContact CD1-CB 3.96Å; F11-D84 HydrophobicContact CE1-CB 4.23Å; F11-D84 WeakPolarHBondContact CE1-OD1 3.43Å; S12-D84 VanDerWaalsContact CA-OD2 3.3Å; S12-D84 WeakPolarHBondContact CA-OD2 3.47Å; T13-D84 WeakPolarHBondContact CB-OD1 3.28Å; T13-D84 WeakPolarHBondContact CG2-OD1 3.35Å; T13-D84 VanDerWaalsContact N-CG 3.28Å; T13-D84 PolarHBondContact N-OD1 3.4Å; T13-D84 PolarHBondContact N-OD2 2.87Å; T13-D84 PolarHBondContact OG1-OD1 3.49Å; T13-D84 PolarHBondContact OG1-OD2 3.12Å; A14-D84 PolarHBondContact N-OD2 3.32Å; R80-D84 VanDerWaalsContact O-CG 3.29Å; R80-D84 PolarHBondContact O-N 3.29Å; H81-D84 PolarHBondContact O-N 2.92Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-A86 PolarHBondContact O-N 3.33Å; D84-T87 PolarHBondContact O-N 3.32Å; D84-N88 WeakPolarHBondContact O-CB 3.47Å; D84-N88 PolarHBondContact O-N 2.69Å; D84-N88 PolarHBondContact O-ND2 3.08Å; D84-N88 VanDerWaalsContact O-ND2 3.09Å |
| 85 | D | 80.9 | Confident | 80.3 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 177.3 | -73.2 | -21.8 | 0 | 0 | 0 | 111.9 | H81 T87 N88 N89 | H81-D85 WeakPolarHBondContact O-CB 3.12Å; H81-D85 VanDerWaalsContact O-CG 3.25Å; H81-D85 PolarHBondContact O-N 3.3Å; D85-T87 VanDerWaalsContact C-N 3.32Å; D85-T87 PolarHBondContact O-N 3.3Å; D85-N88 PolarHBondContact O-N 3.47Å; D85-N89 VanDerWaalsContact O-CB 3.3Å; D85-N89 WeakPolarHBondContact O-CB 3.44Å; D85-N89 VanDerWaalsContact O-CG 3.22Å; D85-N89 PolarHBondContact O-N 3.43Å; D85-N89 PolarHBondContact O-ND2 2.85Å |
| 86 | A | 78.9 | Confident | 80.6 | Confident | 64 Ų | 64 | 65.9 Ų | 65.9 | 53% | 0.529 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R82 A83 D84 | R82-A86 PolarHBondContact O-N 3.17Å; A83-A86 PolarHBondContact O-N 2.9Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-A86 PolarHBondContact O-N 3.33Å |
| 87 | T | 74.1 | Confident | 81.2 | Confident | 38 Ų | 38 | 71 Ų | 71 | 23% | 0.233 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.5 | -41.5 | 178.9 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | F11 A83 D84 D85 N89 E90 W105 | F11-T87 HydrophobicContact CD1-CG2 4.38Å; F11-T87 HydrophobicContact CE1-CG2 4.46Å; A83-T87 PolarHBondContact O-N 3Å; A83-T87 PolarHBondContact O-OG1 2.94Å; A83-T87 VanDerWaalsContact O-OG1 3.1Å; D84-T87 PolarHBondContact O-N 3.32Å; D85-T87 VanDerWaalsContact C-N 3.32Å; D85-T87 PolarHBondContact O-N 3.3Å; T87-N89 PolarHBondContact O-N 2.81Å; T87-E90 PolarHBondContact O-N 2.9Å; T87-W105 HydrophobicContact CG2-CE3 4.49Å; T87-W105 HydrophobicContact CG2-CZ3 4.4Å |
| 88 | N | 82.5 | Confident | 81.6 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.4 | -25.2 | -179.6 | -79.1 | -42.4 | 0 | 0 | 0 | 113.5 | F11 D84 D85 K106 | F11-N88 WeakPolarHBondContact CB-OD1 3.33Å; F11-N88 PolarHBondContact N-OD1 3.14Å; F11-N88 PolarHBondContact O-ND2 3.38Å; D84-N88 WeakPolarHBondContact O-CB 3.47Å; D84-N88 PolarHBondContact O-N 2.69Å; D84-N88 PolarHBondContact O-ND2 3.08Å; D84-N88 VanDerWaalsContact O-ND2 3.09Å; D85-N88 PolarHBondContact O-N 3.47Å; N88-K106 HydrophobicContact CB-CB 4.31Å; N88-K106 PolarHBondContact O-N 2.86Å |
| 89 | N | 86 | Confident | 81.9 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 8.1 | 179.5 | -64.5 | -44.3 | 0 | 0 | 0 | 113 | D85 T87 K106 | D85-N89 VanDerWaalsContact O-CB 3.3Å; D85-N89 WeakPolarHBondContact O-CB 3.44Å; D85-N89 VanDerWaalsContact O-CG 3.22Å; D85-N89 PolarHBondContact O-N 3.43Å; D85-N89 PolarHBondContact O-ND2 2.85Å; T87-N89 PolarHBondContact O-N 2.81Å; N89-K106 PolarHBondContact OD1-NZ 2.85Å |
| 90 | E | 83.8 | Confident | 82.7 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 43% | 0.425 | 34% | 0.343 | S | S | . | . | trans | -62.4 | 143.9 | 166.4 | -71.4 | -171.1 | -179.6 | 0 | 0 | 110.1 | T87 C104 W105 | T87-E90 PolarHBondContact O-N 2.9Å; E90-C104 CarbonylContact O-C 3.55Å; E90-C104 WeakPolarHBondContact O-CA 3.06Å; E90-W105 HydrophobicContact CB-CD2 4.07Å; E90-W105 HydrophobicContact CB-CG 4.15Å; E90-W105 HydrophobicContact CB-CZ2 4.42Å; E90-W105 PolarHBondContact O-N 2.78Å; E90-W105 WeakPolarHBondContact OE2-CH2 3.4Å; E90-W105 VanDerWaalsContact OE2-CZ2 3.3Å; E90-W105 WeakPolarHBondContact OE2-CZ2 3.36Å | ||
| 91 | E | 90 | Very high | 83.9 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 149.5 | -176.7 | -63.5 | -175.4 | 164.1 | 0 | 0 | 111.4 | K102 I103 W105 | E91-K102 IonicContact OE2-NZ 3.93Å; E91-K102 PolarHBondContact OE2-NZ 3.32Å; E91-I103 CarbonylContact C-O 3.55Å; E91-I103 WeakPolarHBondContact CA-O 3.25Å; E91-W105 PolarHBondContact O-NE1 2.68Å |
| 92 | T | 90.7 | Very high | 84.8 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158.8 | 168.7 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | V94 K102 I103 V114 P123 | T92-V94 HydrophobicContact CG2-CG2 4.31Å; T92-K102 WeakPolarHBondContact O-CA 3.41Å; T92-I103 HydrophobicContact CG2-CG1 4.06Å; T92-I103 PolarHBondContact N-O 3.5Å; T92-I103 PolarHBondContact O-N 3.08Å; T92-V114 WeakPolarHBondContact OG1-CG1 3.45Å; T92-P123 HydrophobicContact CG2-CG 4.34Å |
| 93 | L | 93.9 | Very high | 85.5 | Confident | 30 Ų | 30 | 62.6 Ų | 62.6 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.4 | -179.2 | -68.6 | 167.6 | 0 | 0 | 0 | 110.2 | W100 K102 V114 K115 L117 | L93-W100 HydrophobicContact CB-CE3 4.31Å; L93-W100 HydrophobicContact CD2-CB 4.37Å; L93-K102 HydrophobicContact CD2-CB 4.49Å; L93-K102 HydrophobicContact CD2-CG 3.44Å; L93-K102 VanDerWaalsContact CD2-CG 3.44Å; L93-K102 HydrophobicContact CG-CG 4.46Å; L93-V114 CarbonylContact O-C 3.32Å; L93-V114 WeakPolarHBondContact O-CA 3.46Å; L93-K115 HydrophobicContact CB-CB 4.01Å; L93-K115 HydrophobicContact CD1-CD 4.15Å; L93-K115 HydrophobicContact CD1-CG 4.47Å; L93-K115 PolarHBondContact O-N 2.98Å; L93-L117 HydrophobicContact CD1-CD1 4.27Å; L93-L117 HydrophobicContact CD1-CG 4.4Å |
| 94 | V | 93.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.5 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | T92 R96 V101 I103 L108 D112 L113 V114 | T92-V94 HydrophobicContact CG2-CG2 4.31Å; V94-R96 HydrophobicContact CG1-CG 4.06Å; V94-R96 PolarHBondContact O-N 3.26Å; V94-V101 PolarHBondContact N-O 2.86Å; V94-V101 PolarHBondContact O-N 3.4Å; V94-I103 HydrophobicContact CB-CD1 4.01Å; V94-I103 HydrophobicContact CB-CG1 4.29Å; V94-I103 HydrophobicContact CG2-CD1 3.38Å; V94-I103 HydrophobicContact CG2-CG1 3.73Å; V94-L108 HydrophobicContact CG2-CD1 3.71Å; V94-D112 HydrophobicContact CG1-CB 3.82Å; V94-D112 HydrophobicContact CG2-CB 4.46Å; V94-L113 CarbonylContact C-O 3.56Å; V94-L113 VanDerWaalsContact CA-O 3.3Å; V94-L113 WeakPolarHBondContact CA-O 3.38Å; V94-V114 HydrophobicContact CG2-CG2 4.18Å |
| 95 | L | 91.6 | Very high | 87.3 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 110.8 | 176.4 | -170.1 | 65.9 | 0 | 0 | 0 | 110 | W100 L113 A166 L169 | L95-W100 HydrophobicContact CB-CE3 4.03Å; L95-W100 HydrophobicContact CB-CH2 3.97Å; L95-W100 HydrophobicContact CB-CZ3 3.67Å; L95-W100 HydrophobicContact CD1-CD2 4.16Å; L95-W100 HydrophobicContact CD1-CE3 4.37Å; L95-W100 HydrophobicContact CD1-CH2 4.4Å; L95-W100 HydrophobicContact CD1-CZ2 4.18Å; L95-W100 HydrophobicContact CD1-CZ3 4.49Å; L95-L113 HydrophobicContact CB-CB 4.02Å; L95-L113 HydrophobicContact CD2-CD1 3.92Å; L95-L113 PolarHBondContact N-O 2.89Å; L95-A166 HydrophobicContact CD1-CB 4Å; L95-L169 HydrophobicContact CD2-CB 3.95Å |
| 96 | R | 87.9 | Confident | 87.6 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.8 | 174 | -63.3 | -171.4 | 176.1 | 175.4 | 1.3 | 109.5 | V94 H98 V99 V101 D112 | V94-R96 HydrophobicContact CG1-CG 4.06Å; V94-R96 PolarHBondContact O-N 3.26Å; R96-H98 VanDerWaalsContact C-N 3.28Å; R96-H98 PolarHBondContact O-N 3.04Å; R96-V99 PolarHBondContact N-O 2.72Å; R96-V99 PolarHBondContact O-N 3.26Å; R96-V101 HydrophobicContact CB-CG2 4.24Å; R96-D112 IonicContact NH2-OD2 3.5Å; R96-D112 PolarHBondContact NH2-OD2 3.01Å |
| 97 | N | 83 | Confident | 88 | Confident | 154 Ų | 154 | 62.1 Ų | 62.1 | 82% | 0.824 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 43.8 | -179.3 | -58.5 | -33.1 | 0 | 0 | 0 | 113.5 | V99 | N97-V99 PolarHBondContact O-N 3.49Š|
| 98 | H | 82.2 | Confident | 88.8 | Confident | 131 Ų | 131 | 60.5 Ų | 60.5 | 61% | 0.606 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 11.7 | -177.5 | -47.2 | -82.3 | 0 | 0 | 0 | 115.6 | R96 S170 | R96-H98 VanDerWaalsContact C-N 3.28Å; R96-H98 PolarHBondContact O-N 3.04Å; H98-S170 PolarHBondContact CE1-OG 3.2Å; H98-S170 WeakPolarHBondContact ND1-CB 3.38Å; H98-S170 PolarHBondContact ND1-OG 3.04Å |
| 99 | V | 87.6 | Confident | 89.1 | Confident | 90 Ų | 90 | 66.4 Ų | 66.4 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | R96 N97 V101 | R96-V99 PolarHBondContact N-O 2.72Å; R96-V99 PolarHBondContact O-N 3.26Å; N97-V99 PolarHBondContact O-N 3.49Å; V99-V101 PolarHBondContact O-N 3.43Å |
| 100 | W | 90.1 | Very high | 89.3 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 16% | 0.163 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 113.2 | 170.7 | -64.6 | 107.7 | 0 | 0 | 0 | 110 | L93 L95 K115 A166 L169 F221 R1150 | L93-W100 HydrophobicContact CB-CE3 4.31Å; L93-W100 HydrophobicContact CD2-CB 4.37Å; L95-W100 HydrophobicContact CB-CE3 4.03Å; L95-W100 HydrophobicContact CB-CH2 3.97Å; L95-W100 HydrophobicContact CB-CZ3 3.67Å; L95-W100 HydrophobicContact CD1-CD2 4.16Å; L95-W100 HydrophobicContact CD1-CE3 4.37Å; L95-W100 HydrophobicContact CD1-CH2 4.4Å; L95-W100 HydrophobicContact CD1-CZ2 4.18Å; L95-W100 HydrophobicContact CD1-CZ3 4.49Å; W100-K115 HydrophobicContact CD2-CB 4.16Å; W100-K115 HydrophobicContact CD2-CD 4.17Å; W100-K115 HydrophobicContact CE3-CB 3.65Å; W100-K115 HydrophobicContact CH2-CB 3.75Å; W100-K115 HydrophobicContact CZ2-CB 4.23Å; W100-K115 HydrophobicContact CZ2-CD 4.42Å; W100-K115 HydrophobicContact CZ3-CB 3.43Å; W100-K115 VanDerWaalsContact CZ3-CB 3.43Å; W100-A166 HydrophobicContact CZ2-CB 4.45Å; W100-L169 HydrophobicContact CH2-CD1 4.33Å; W100-L169 HydrophobicContact CZ2-CD1 4.09Å; W100-F221 AromaticContact CH2-CD1 3.54Å; W100-F221 HydrophobicContact CH2-CD1 3.54Å; W100-F221 AromaticContact CH2-CE1 3.54Å; W100-F221 HydrophobicContact CH2-CE1 3.54Å; W100-F221 HydrophobicContact CH2-CZ 4.49Å; W100-F221 AromaticContact CZ2-CD1 3.68Å; W100-F221 HydrophobicContact CZ2-CD1 3.68Å; W100-F221 AromaticContact CZ2-CE1 3.16Å; W100-F221 HydrophobicContact CZ2-CE1 3.16Å; W100-F221 AromaticContact CZ2-CZ 3.79Å; W100-F221 HydrophobicContact CZ2-CZ 3.79Å; W100-R1150 PolarHBondContact NE1-OXT 3.39Å |
| 101 | V | 92.6 | Very high | 89.6 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.9 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | V94 R96 V99 I103 | V94-V101 PolarHBondContact N-O 2.86Å; V94-V101 PolarHBondContact O-N 3.4Å; R96-V101 HydrophobicContact CB-CG2 4.24Å; V99-V101 PolarHBondContact O-N 3.43Å; V101-I103 HydrophobicContact CG1-CG2 4.29Å |
| 102 | K | 93 | Very high | 89.7 | Confident | 135 Ų | 135 | 59.2 Ų | 59.2 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 126.6 | 171.5 | -70.7 | -177.2 | 165.1 | -154.6 | 0 | 110.1 | E91 T92 L93 | E91-K102 IonicContact OE2-NZ 3.93Å; E91-K102 PolarHBondContact OE2-NZ 3.32Å; T92-K102 WeakPolarHBondContact O-CA 3.41Å; L93-K102 HydrophobicContact CD2-CB 4.49Å; L93-K102 HydrophobicContact CD2-CG 3.44Å; L93-K102 VanDerWaalsContact CD2-CG 3.44Å; L93-K102 HydrophobicContact CG-CG 4.46Å |
| 103 | I | 92.1 | Very high | 89.9 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 158 | 174.4 | 66.6 | 167.9 | 0 | 0 | 0 | 110.2 | E91 T92 V94 V101 L108 | E91-I103 CarbonylContact C-O 3.55Å; E91-I103 WeakPolarHBondContact CA-O 3.25Å; T92-I103 HydrophobicContact CG2-CG1 4.06Å; T92-I103 PolarHBondContact N-O 3.5Å; T92-I103 PolarHBondContact O-N 3.08Å; V94-I103 HydrophobicContact CB-CD1 4.01Å; V94-I103 HydrophobicContact CB-CG1 4.29Å; V94-I103 HydrophobicContact CG2-CD1 3.38Å; V94-I103 HydrophobicContact CG2-CG1 3.73Å; V101-I103 HydrophobicContact CG1-CG2 4.29Å; I103-L108 HydrophobicContact CD1-CB 4.4Å; I103-L108 HydrophobicContact CD1-CD1 4.22Å |
| 104 | C | 91 | Very high | 89.9 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 151.3 | 171.4 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | E90 K106 D107 | E90-C104 CarbonylContact O-C 3.55Å; E90-C104 WeakPolarHBondContact O-CA 3.06Å; C104-K106 HydrophobicContact CB-CD 4.34Å; C104-K106 HydrophobicContact CB-CG 3.91Å; C104-K106 PolarHBondContact O-N 3.1Å; C104-K106 VanDerWaalsContact O-N 3.16Å; C104-D107 PolarHBondContact O-N 2.7Å |
| 105 | W | 88.5 | Confident | 89.9 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -55.1 | -36 | 177.4 | -77 | 23.6 | 0 | 0 | 0 | 112.6 | L9 T87 E90 E91 D107 L108 G121 P123 | L9-W105 WeakPolarHBondContact CD2-O 3.18Å; T87-W105 HydrophobicContact CG2-CE3 4.49Å; T87-W105 HydrophobicContact CG2-CZ3 4.4Å; E90-W105 HydrophobicContact CB-CD2 4.07Å; E90-W105 HydrophobicContact CB-CG 4.15Å; E90-W105 HydrophobicContact CB-CZ2 4.42Å; E90-W105 PolarHBondContact O-N 2.78Å; E90-W105 WeakPolarHBondContact OE2-CH2 3.4Å; E90-W105 VanDerWaalsContact OE2-CZ2 3.3Å; E90-W105 WeakPolarHBondContact OE2-CZ2 3.36Å; E91-W105 PolarHBondContact O-NE1 2.68Å; W105-D107 PolarHBondContact O-N 3.13Å; W105-L108 WeakPolarHBondContact O-CB 3.37Å; W105-L108 PolarHBondContact O-N 3.49Å; W105-G121 WeakPolarHBondContact CZ2-O 3.16Å; W105-P123 HydrophobicContact CD2-CB 3.67Å; W105-P123 HydrophobicContact CE3-CB 4.22Å; W105-P123 HydrophobicContact CG-CB 3.9Å; W105-P123 HydrophobicContact CZ2-CB 4.05Å |
| 106 | K | 86.2 | Confident | 90 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 29% | 0.291 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -61.6 | -19.3 | 177 | 73.3 | -169.5 | 177.8 | -162.3 | 0 | 114.9 | L9 N88 N89 C104 | L9-K106 WeakPolarHBondContact CB-O 3.38Å; N88-K106 HydrophobicContact CB-CB 4.31Å; N88-K106 PolarHBondContact O-N 2.86Å; N89-K106 PolarHBondContact OD1-NZ 2.85Å; C104-K106 HydrophobicContact CB-CD 4.34Å; C104-K106 HydrophobicContact CB-CG 3.91Å; C104-K106 PolarHBondContact O-N 3.1Å; C104-K106 VanDerWaalsContact O-N 3.16Å |
| 107 | D | 88.9 | Confident | 90.2 | Very high | 79 Ų | 79 | 57.8 Ų | 57.8 | 42% | 0.422 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -104.6 | 4.8 | -175 | -57.4 | -45.2 | 0 | 0 | 0 | 112.9 | C104 W105 | C104-D107 PolarHBondContact O-N 2.7Å; W105-D107 PolarHBondContact O-N 3.13Å |
| 108 | L | 89.1 | Confident | 90.4 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -70.4 | 147.1 | 176 | -174.1 | 67.6 | 0 | 0 | 0 | 110.5 | L9 V94 I103 W105 D112 V114 P123 A124 T224 | L9-L108 HydrophobicContact CD1-CB 3.85Å; L9-L108 WeakPolarHBondContact CD1-O 3.46Å; V94-L108 HydrophobicContact CG2-CD1 3.71Å; I103-L108 HydrophobicContact CD1-CB 4.4Å; I103-L108 HydrophobicContact CD1-CD1 4.22Å; W105-L108 WeakPolarHBondContact O-CB 3.37Å; W105-L108 PolarHBondContact O-N 3.49Å; L108-D112 HydrophobicContact CD1-CB 3.77Å; L108-V114 HydrophobicContact CD1-CG2 3.64Å; L108-P123 HydrophobicContact CD2-CB 3.99Å; L108-P123 HydrophobicContact CD2-CG 4.02Å; L108-A124 HydrophobicContact CD2-CB 3.6Å; L108-T224 HydrophobicContact CD2-CG2 4.07Å; L108-T224 HydrophobicContact CG-CG2 4.25Å | ||
| 109 | E | 90 | Very high | 90.4 | Very high | 131 Ų | 131 | 51.4 Ų | 51.4 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | trans | -127.7 | 158.1 | 176.3 | -65.8 | -174.5 | 173.8 | 0 | 0 | 112.1 | G111 D112 T224 | E109-G111 PolarHBondContact O-N 3.22Å; E109-D112 PolarHBondContact N-OD2 2.93Å; E109-D112 WeakPolarHBondContact O-CB 3.07Å; E109-D112 PolarHBondContact O-N 3.25Å; E109-D112 VanDerWaalsContact O-N 3.12Å; E109-T224 WeakPolarHBondContact O-CB 3.48Å; E109-T224 WeakPolarHBondContact O-CG2 3.4Å | ||
| 110 | V | 90.6 | Very high | 90.3 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 128.6 | 173.7 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | L6 V225 T227 | L6-V110 HydrophobicContact CD1-CB 3.9Å; L6-V110 HydrophobicContact CD1-CG2 3.79Å; L6-V110 HydrophobicContact CD2-CG2 4.32Å; V110-V225 WeakPolarHBondContact CG1-O 3.34Å; V110-T227 HydrophobicContact CG2-CG2 3.95Å |
| 111 | G | 90.2 | Very high | 90.1 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -9.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E109 L223 T224 | E109-G111 PolarHBondContact O-N 3.22Å; G111-L223 WeakPolarHBondContact O-CD1 3.35Å; G111-T224 PolarHBondContact N-O 2.83Å |
| 112 | D | 92.2 | Very high | 90.1 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | trans | -66.3 | 135.2 | 173.8 | -85.6 | -20.7 | 0 | 0 | 0 | 111 | V94 R96 L108 E109 T224 | V94-D112 HydrophobicContact CG1-CB 3.82Å; V94-D112 HydrophobicContact CG2-CB 4.46Å; R96-D112 IonicContact NH2-OD2 3.5Å; R96-D112 PolarHBondContact NH2-OD2 3.01Å; L108-D112 HydrophobicContact CD1-CB 3.77Å; E109-D112 PolarHBondContact N-OD2 2.93Å; E109-D112 WeakPolarHBondContact O-CB 3.07Å; E109-D112 PolarHBondContact O-N 3.25Å; E109-D112 VanDerWaalsContact O-N 3.12Å; D112-T224 WeakPolarHBondContact O-CB 3.33Å; D112-T224 PolarHBondContact O-N 2.86Å; D112-T224 PolarHBondContact O-OG1 2.77Å | ||
| 113 | L | 93.6 | Very high | 89.9 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 116.4 | 171.5 | -71 | 172.4 | 0 | 0 | 0 | 109.7 | V94 L95 L129 L223 | V94-L113 CarbonylContact C-O 3.56Å; V94-L113 VanDerWaalsContact CA-O 3.3Å; V94-L113 WeakPolarHBondContact CA-O 3.38Å; L95-L113 HydrophobicContact CB-CB 4.02Å; L95-L113 HydrophobicContact CD2-CD1 3.92Å; L95-L113 PolarHBondContact N-O 2.89Å; L113-L129 HydrophobicContact CD2-CD1 3.6Å; L113-L223 HydrophobicContact CD2-CB 4.31Å; L113-L223 HydrophobicContact CD2-CD1 3.92Å |
| 114 | V | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.9 | -173.5 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | T92 L93 V94 L108 V116 P123 L126 F221 G222 T224 | T92-V114 WeakPolarHBondContact OG1-CG1 3.45Å; L93-V114 CarbonylContact O-C 3.32Å; L93-V114 WeakPolarHBondContact O-CA 3.46Å; V94-V114 HydrophobicContact CG2-CG2 4.18Å; L108-V114 HydrophobicContact CD1-CG2 3.64Å; V114-V116 HydrophobicContact CG1-CG2 3.87Å; V114-P123 HydrophobicContact CG1-CG 4.25Å; V114-L126 HydrophobicContact CB-CD1 4.23Å; V114-L126 HydrophobicContact CB-CD2 4.44Å; V114-L126 HydrophobicContact CG1-CD1 4.38Å; V114-L126 HydrophobicContact CG2-CD2 4.16Å; V114-F221 WeakPolarHBondContact O-CA 3.43Å; V114-G222 PolarHBondContact N-O 2.9Å; V114-G222 PolarHBondContact O-N 2.82Å; V114-T224 VanDerWaalsContact CG2-OG1 3.29Å; V114-T224 WeakPolarHBondContact CG2-OG1 3.45Å |
| 115 | K | 94.1 | Very high | 90 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.1 | 165.1 | -178.2 | -178.2 | -168.2 | 172.3 | 0 | 108.9 | L93 W100 L117 I220 F221 G1149 | L93-K115 HydrophobicContact CB-CB 4.01Å; L93-K115 HydrophobicContact CD1-CD 4.15Å; L93-K115 HydrophobicContact CD1-CG 4.47Å; L93-K115 PolarHBondContact O-N 2.98Å; W100-K115 HydrophobicContact CD2-CB 4.16Å; W100-K115 HydrophobicContact CD2-CD 4.17Å; W100-K115 HydrophobicContact CE3-CB 3.65Å; W100-K115 HydrophobicContact CH2-CB 3.75Å; W100-K115 HydrophobicContact CZ2-CB 4.23Å; W100-K115 HydrophobicContact CZ2-CD 4.42Å; W100-K115 HydrophobicContact CZ3-CB 3.43Å; W100-K115 VanDerWaalsContact CZ3-CB 3.43Å; K115-L117 HydrophobicContact CD-CD2 4.3Å; K115-L117 HydrophobicContact CG-CD2 4.31Å; K115-I220 WeakPolarHBondContact CA-O 3.27Å; K115-F221 HydrophobicContact CB-CD1 3.98Å; K115-F221 HydrophobicContact CB-CE1 3.98Å; K115-F221 HydrophobicContact CD-CE1 3.78Å; K115-F221 HydrophobicContact CG-CD1 4.02Å; K115-F221 HydrophobicContact CG-CE1 3.71Å; K115-G1149 PolarHBondContact NZ-O 2.85Å |
| 116 | V | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.4 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | V114 E120 I122 L126 L214 W219 I220 | V114-V116 HydrophobicContact CG1-CG2 3.87Å; V116-E120 HydrophobicContact CG1-CB 4.08Å; V116-I122 HydrophobicContact CG1-CG1 4.37Å; V116-L126 HydrophobicContact CG2-CD1 3.94Å; V116-L214 HydrophobicContact CG1-CB 4.15Å; V116-L214 HydrophobicContact CG1-CD2 4.43Å; V116-L214 WeakPolarHBondContact O-CD2 3.32Å; V116-W219 VanDerWaalsContact O-CA 3.23Å; V116-W219 WeakPolarHBondContact O-CA 3.38Å; V116-I220 HydrophobicContact CB-CD1 4.17Å; V116-I220 HydrophobicContact CB-CG1 3.77Å; V116-I220 HydrophobicContact CG2-CD1 4.38Å; V116-I220 HydrophobicContact CG2-CG1 4.32Å; V116-I220 PolarHBondContact N-O 3.32Å; V116-I220 VanDerWaalsContact N-O 3.15Å; V116-I220 PolarHBondContact O-N 2.81Å |
| 117 | L | 91.8 | Very high | 90.7 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 165.2 | 179.3 | -54.2 | 176.8 | 0 | 0 | 0 | 111.8 | L93 K115 N119 E120 W219 | L93-L117 HydrophobicContact CD1-CD1 4.27Å; L93-L117 HydrophobicContact CD1-CG 4.4Å; K115-L117 HydrophobicContact CD-CD2 4.3Å; K115-L117 HydrophobicContact CG-CD2 4.31Å; L117-N119 PolarHBondContact O-N 2.99Å; L117-E120 HydrophobicContact CB-CG 4.18Å; L117-E120 WeakPolarHBondContact CB-OE2 3.4Å; L117-E120 PolarHBondContact N-OE2 2.94Å; L117-E120 WeakPolarHBondContact O-CB 3.39Å; L117-E120 PolarHBondContact O-N 3Å; L117-W219 HydrophobicContact CD2-CB 4.16Å |
| 118 | S | 87.2 | Confident | 90.9 | Very high | 45 Ų | 45 | 30.7 Ų | 30.7 | 32% | 0.315 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 134.2 | 177 | -146.2 | 0 | 0 | 0 | 0 | 111.9 | E120 T217 K218 | S118-E120 VanDerWaalsContact C-N 3.27Å; S118-E120 PolarHBondContact O-N 3.18Å; S118-T217 WeakPolarHBondContact CA-O 3.31Å; S118-T217 WeakPolarHBondContact CB-O 3.21Å; S118-T217 PolarHBondContact OG-O 3.23Å; S118-K218 PolarHBondContact N-O 2.85Å |
| 119 | N | 83.5 | Confident | 91.1 | Very high | 106 Ų | 106 | 30.7 Ų | 30.7 | 57% | 0.567 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68 | 11.5 | -176.7 | -55.5 | -65.1 | 0 | 0 | 0 | 116.1 | L117 L214 K215 | L117-N119 PolarHBondContact O-N 2.99Å; N119-L214 VanDerWaalsContact CA-O 3.24Å; N119-L214 WeakPolarHBondContact CA-O 3.22Å; N119-L214 PolarHBondContact N-O 3.4Å; N119-K215 VanDerWaalsContact OD1-CD 3.23Å; N119-K215 WeakPolarHBondContact OD1-CD 3.34Å; N119-K215 PolarHBondContact OD1-NZ 3.37Å |
| 120 | E | 85.8 | Confident | 91.3 | Very high | 70 Ų | 70 | 24.5 Ų | 24.5 | 33% | 0.327 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -90.2 | 151.4 | 172.2 | -65.7 | -178.6 | 164 | 0 | 0 | 111.8 | V116 L117 S118 S213 L214 | V116-E120 HydrophobicContact CG1-CB 4.08Å; L117-E120 HydrophobicContact CB-CG 4.18Å; L117-E120 WeakPolarHBondContact CB-OE2 3.4Å; L117-E120 PolarHBondContact N-OE2 2.94Å; L117-E120 WeakPolarHBondContact O-CB 3.39Å; L117-E120 PolarHBondContact O-N 3Å; S118-E120 VanDerWaalsContact C-N 3.27Å; S118-E120 PolarHBondContact O-N 3.18Å; E120-S213 WeakPolarHBondContact O-CA 3.34Å; E120-L214 PolarHBondContact O-N 3.04Å |
| 121 | G | 85.3 | Confident | 91.3 | Very high | 32 Ų | 32 | 21.7 Ų | 21.7 | 33% | 0.33 | 13% | 0.134 | S | C | . | . | B | Isolated β-bridge | trans | -75.9 | 144.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W105 | W105-G121 WeakPolarHBondContact CZ2-O 3.16Å |
| 122 | I | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 123.5 | 179.7 | -66 | 149.7 | 0 | 0 | 0 | 109.5 | V116 A124 L126 I140 I208 R210 G211 A212 | V116-I122 HydrophobicContact CG1-CG1 4.37Å; I122-A124 WeakPolarHBondContact CG2-O 3.33Å; I122-L126 HydrophobicContact CG2-CD1 3.98Å; I122-L126 HydrophobicContact CG2-CG 4.09Å; I122-I140 HydrophobicContact CD1-CG2 4.27Å; I122-I208 HydrophobicContact CD1-CG2 3.13Å; I122-I208 HydrophobicContact CG1-CG2 3.93Å; I122-I208 HydrophobicContact CG2-CG2 4.06Å; I122-R210 WeakPolarHBondContact O-CA 3.19Å; I122-G211 PolarHBondContact O-N 2.97Å; I122-G211 VanDerWaalsContact O-N 3.08Å; I122-A212 WeakPolarHBondContact CB-O 3.31Å; I122-A212 HydrophobicContact CD1-CB 3.62Å; I122-A212 WeakPolarHBondContact CD1-O 3.02Å; I122-A212 PolarHBondContact N-O 3.47Å |
| 123 | P | 89.5 | Confident | 91 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | trans | -74.7 | -30.2 | -169.7 | 27.6 | -35.7 | 0 | 0 | 0 | 114.7 | T92 W105 L108 V114 R210 | T92-P123 HydrophobicContact CG2-CG 4.34Å; W105-P123 HydrophobicContact CD2-CB 3.67Å; W105-P123 HydrophobicContact CE3-CB 4.22Å; W105-P123 HydrophobicContact CG-CB 3.9Å; W105-P123 HydrophobicContact CZ2-CB 4.05Å; L108-P123 HydrophobicContact CD2-CB 3.99Å; L108-P123 HydrophobicContact CD2-CG 4.02Å; V114-P123 HydrophobicContact CG1-CG 4.25Å; P123-R210 WeakPolarHBondContact O-CD 3.39Å; P123-R210 WeakPolarHBondContact O-CG 3.44Å | ||
| 124 | A | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -151.1 | 174.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L108 I122 L126 R210 T224 Y226 T227 | L108-A124 HydrophobicContact CD2-CB 3.6Å; I122-A124 WeakPolarHBondContact CG2-O 3.33Å; A124-L126 HydrophobicContact CB-CD2 4.25Å; A124-L126 PolarHBondContact O-N 3.26Å; A124-R210 PolarHBondContact O-N 3.49Å; A124-T224 HydrophobicContact CB-CG2 3.79Å; A124-Y226 WeakPolarHBondContact CB-O 3.5Å; A124-T227 HydrophobicContact CB-CG2 4.19Å |
| 125 | D | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.5 | 172.9 | -62.1 | -14 | 0 | 0 | 0 | 108.6 | L207 I208 L209 R210 V225 Y226 S231 K232 | D125-L207 HydrophobicContact CB-CD1 4.44Å; D125-I208 CarbonylContact C-O 3.44Å; D125-I208 WeakPolarHBondContact CA-O 3.48Å; D125-L209 HydrophobicContact CB-CD2 4.5Å; D125-L209 WeakPolarHBondContact OD1-CA 3.29Å; D125-R210 PolarHBondContact OD1-N 2.94Å; D125-V225 PolarHBondContact O-N 2.8Å; D125-Y226 HydrophobicContact CB-CD2 4.02Å; D125-Y226 HydrophobicContact CB-CG 4.49Å; D125-Y226 PolarHBondContact N-O 3.15Å; D125-Y226 PolarHBondContact O-N 3.13Å; D125-S231 WeakPolarHBondContact OD2-CA 3.47Å; D125-K232 PolarHBondContact OD2-N 2.7Å |
| 126 | L | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.3 | -173.2 | -52.3 | -177.6 | 0 | 0 | 0 | 111.6 | V114 V116 I122 A124 I208 L223 T224 | V114-L126 HydrophobicContact CB-CD1 4.23Å; V114-L126 HydrophobicContact CB-CD2 4.44Å; V114-L126 HydrophobicContact CG1-CD1 4.38Å; V114-L126 HydrophobicContact CG2-CD2 4.16Å; V116-L126 HydrophobicContact CG2-CD1 3.94Å; I122-L126 HydrophobicContact CG2-CD1 3.98Å; I122-L126 HydrophobicContact CG2-CG 4.09Å; A124-L126 HydrophobicContact CB-CD2 4.25Å; A124-L126 PolarHBondContact O-N 3.26Å; L126-I208 HydrophobicContact CB-CB 4.48Å; L126-I208 PolarHBondContact N-O 3.25Å; L126-I208 PolarHBondContact O-N 3.49Å; L126-L223 CarbonylContact C-O 3.59Å; L126-L223 VanDerWaalsContact CA-O 3.27Å; L126-L223 WeakPolarHBondContact CA-O 3.26Å; L126-T224 HydrophobicContact CD2-CG2 4.36Å; L126-T224 WeakPolarHBondContact CD2-OG1 3.49Å |
| 127 | V | 94.8 | Very high | 89 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.8 | 165.5 | 169.3 | 0 | 0 | 0 | 0 | 109.3 | L129 F188 L202 L207 G222 L223 V225 | V127-L129 PolarHBondContact O-N 3.17Å; V127-F188 HydrophobicContact CG2-CE1 4.27Å; V127-F188 HydrophobicContact CG2-CZ 4.28Å; V127-L202 HydrophobicContact CG1-CD1 4.1Å; V127-L202 HydrophobicContact CG1-CD2 3.82Å; V127-L202 HydrophobicContact CG2-CD1 4.17Å; V127-L207 HydrophobicContact CG2-CD1 4.32Å; V127-G222 CarbonylContact O-C 3.56Å; V127-G222 WeakPolarHBondContact O-CA 3.19Å; V127-L223 HydrophobicContact CB-CB 4.46Å; V127-L223 PolarHBondContact N-O 2.74Å; V127-L223 PolarHBondContact O-N 3.15Å; V127-V225 HydrophobicContact CB-CG2 4.32Å; V127-V225 HydrophobicContact CG2-CG2 3.51Å |
| 128 | L | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 115.7 | -178.6 | 180 | 59.5 | 0 | 0 | 0 | 111.5 | A136 C138 R154 G156 Q206 I208 I220 | L128-A136 WeakPolarHBondContact CD2-O 3.41Å; L128-C138 VanDerWaalsContact CD2-SG 3.56Å; L128-R154 HydrophobicContact CD2-CB 4.16Å; L128-G156 WeakPolarHBondContact O-CA 3.47Å; L128-Q206 WeakPolarHBondContact CB-O 3.28Å; L128-Q206 PolarHBondContact N-O 3.39Å; L128-I208 HydrophobicContact CB-CD1 3.87Å; L128-I208 HydrophobicContact CB-CG1 4.32Å; L128-I208 HydrophobicContact CD1-CD1 3.94Å; L128-I208 HydrophobicContact CD2-CD1 4.2Å; L128-I208 HydrophobicContact CG-CD1 4.22Å; L128-I220 HydrophobicContact CD1-CB 3.92Å; L128-I220 HydrophobicContact CD1-CG2 3.99Å |
| 129 | L | 93 | Very high | 88.7 | Confident | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -53.6 | 177.5 | -60.6 | 177.8 | 0 | 0 | 0 | 111.2 | L113 V127 T160 L169 I192 F221 L223 | L113-L129 HydrophobicContact CD2-CD1 3.6Å; V127-L129 PolarHBondContact O-N 3.17Å; L129-T160 HydrophobicContact CD2-CG2 4.24Å; L129-T160 CarbonylContact O-C 3.52Å; L129-T160 WeakPolarHBondContact O-CB 3.37Å; L129-T160 PolarHBondContact O-OG1 3.41Å; L129-L169 HydrophobicContact CD1-CD2 4.15Å; L129-I192 HydrophobicContact CD2-CD1 4.3Å; L129-F221 PolarHBondContact N-O 3.02Å; L129-L223 HydrophobicContact CD1-CB 4.28Å |
| 130 | A | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 161 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L163 I220 F221 | A130-L163 HydrophobicContact CB-CB 4.3Å; A130-L163 WeakPolarHBondContact CB-O 3.33Å; A130-I220 WeakPolarHBondContact O-CA 3.33Å; A130-F221 HydrophobicContact CB-CD2 4.05Å; A130-F221 PolarHBondContact N-O 2.82Å; A130-F221 PolarHBondContact O-N 3.46Å |
| 131 | S | 92 | Very high | 88.5 | Confident | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 161.7 | -175.9 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | E133 M137 T217 | S131-E133 PolarHBondContact O-N 3.17Å; S131-E133 PolarHBondContact OG-N 3.32Å; S131-M137 WeakPolarHBondContact CB-O 3.46Å; S131-M137 PolarHBondContact OG-O 3.22Å; S131-T217 VanDerWaalsContact OG-CG2 3.24Å; S131-T217 WeakPolarHBondContact OG-CG2 3.14Å |
| 132 | S | 90 | Very high | 87.9 | Confident | 4 Ų | 4 | 11.2 Ų | 11.2 | 3% | 0.028 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -67.5 | -19.5 | 170.8 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | K218 W219 P1147 | S132-K218 PolarHBondContact OG-N 3.45Å; S132-W219 PolarHBondContact N-O 3.26Å; S132-W219 VanDerWaalsContact N-O 3.08Å; S132-P1147 WeakPolarHBondContact O-CD 3.44Å |
| 133 | E | 85.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 11.4 Ų | 11.4 | 3% | 0.033 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -89.4 | 156.6 | 178.4 | -53.6 | -57.1 | 144.2 | 0 | 0 | 111.9 | S131 A136 M137 T217 Y1140 K1146 | S131-E133 PolarHBondContact O-N 3.17Å; S131-E133 PolarHBondContact OG-N 3.32Å; E133-A136 PolarHBondContact O-N 3.4Å; E133-M137 HydrophobicContact CB-CB 4.3Å; E133-M137 WeakPolarHBondContact CB-O 3.34Å; E133-T217 HydrophobicContact CG-CG2 4.24Å; E133-Y1140 WeakPolarHBondContact OE2-CE1 3.32Å; E133-Y1140 PolarHBondContact OE2-OH 3.5Å; E133-K1146 WeakPolarHBondContact OE1-CD 3.39Å; E133-K1146 WeakPolarHBondContact OE1-CE 3.44Å; E133-K1146 IonicContact OE1-NZ 3.77Å; E133-K1146 PolarHBondContact OE1-NZ 2.8Å; E133-K1146 WeakPolarHBondContact OE2-CE 3.46Å; E133-K1146 IonicContact OE2-NZ 2.89Å; E133-K1146 PolarHBondContact OE2-NZ 3.11Å |
| 134 | P | 79.7 | Confident | 85.1 | Confident | 52 Ų | 52 | 13.5 Ų | 13.5 | 34% | 0.338 | 7% | 0.07 | S | C | . | . | G | 310 helix | trans | -54 | 150.9 | 177.1 | -24.6 | 34.2 | 0 | 0 | 0 | 112.7 | A136 M137 | P134-A136 PolarHBondContact O-N 3.23Å; P134-M137 HydrophobicContact CB-CE 4.32Å; P134-M137 WeakPolarHBondContact O-CB 3.41Å; P134-M137 WeakPolarHBondContact O-CE 3.34Å; P134-M137 WeakPolarHBondContact O-CG 3.47Å; P134-M137 PolarHBondContact O-N 3.08Å |
| 135 | Q | 80.4 | Confident | 84 | Confident | 95 Ų | 95 | 14.3 Ų | 14.3 | 44% | 0.444 | 7% | 0.074 | S | C | . | . | G | 310 helix | trans | 57.4 | 28.1 | 177.4 | -55.1 | -176.6 | -14 | 0 | 0 | 114.8 | M137 | Q135-M137 HydrophobicContact CB-CG 4.3Å; Q135-M137 PolarHBondContact O-N 3.03Å |
| 136 | A | 85.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | 53.2 | 34.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L128 E133 P134 G156 T161 | L128-A136 WeakPolarHBondContact CD2-O 3.41Å; E133-A136 PolarHBondContact O-N 3.4Å; P134-A136 PolarHBondContact O-N 3.23Å; A136-G156 PolarHBondContact O-N 3.24Å; A136-T161 HydrophobicContact CB-CG2 4.3Å |
| 137 | M | 87.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 148.8 | 176.4 | -69.2 | -175.1 | -67.8 | 0 | 0 | 111.1 | S131 E133 P134 Q135 L153 R154 Q155 V1131 L1136 A1139 Y1140 | S131-M137 WeakPolarHBondContact CB-O 3.46Å; S131-M137 PolarHBondContact OG-O 3.22Å; E133-M137 HydrophobicContact CB-CB 4.3Å; E133-M137 WeakPolarHBondContact CB-O 3.34Å; P134-M137 HydrophobicContact CB-CE 4.32Å; P134-M137 WeakPolarHBondContact O-CB 3.41Å; P134-M137 WeakPolarHBondContact O-CE 3.34Å; P134-M137 WeakPolarHBondContact O-CG 3.47Å; P134-M137 PolarHBondContact O-N 3.08Å; Q135-M137 HydrophobicContact CB-CG 4.3Å; Q135-M137 PolarHBondContact O-N 3.03Å; M137-L153 HydrophobicContact CB-CD1 4.08Å; M137-L153 HydrophobicContact CG-CD1 4.42Å; M137-L153 HydrophobicContact SD-CD1 4.28Å; M137-L153 HydrophobicContact SD-CD2 4.3Å; M137-R154 CarbonylContact C-O 3.48Å; M137-R154 VanDerWaalsContact CA-O 3.31Å; M137-R154 WeakPolarHBondContact CA-O 3.44Å; M137-Q155 HydrophobicContact CG-CG 4.26Å; M137-V1131 HydrophobicContact SD-CG2 4.23Å; M137-L1136 HydrophobicContact CE-CD1 4.19Å; M137-L1136 HydrophobicContact SD-CD1 3.83Å; M137-A1139 HydrophobicContact CE-CB 4.16Å; M137-Y1140 HydrophobicContact CE-CE2 4.16Å |
| 138 | C | 88 | Confident | 78.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 156.9 | 165.8 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | L128 R154 L214 T217 I220 | L128-C138 VanDerWaalsContact CD2-SG 3.56Å; C138-R154 PolarHBondContact N-O 3.37Å; C138-R154 PolarHBondContact O-N 3.46Å; C138-L214 HydrophobicContact CB-CD1 4.03Å; C138-T217 WeakPolarHBondContact CA-OG1 3.47Å; C138-T217 HydrophobicContact CB-CG2 3.86Å; C138-I220 HydrophobicContact CB-CG2 3.57Å |
| 139 | Y | 85.2 | Confident | 76.3 | Confident | 23 Ų | 23 | 21.1 Ų | 21.1 | 9% | 0.09 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.3 | 171.5 | -60.5 | -84.7 | 0 | 0 | 0 | 109.5 | L151 L153 K215 N216 T217 L1136 Y1140 | Y139-L151 HydrophobicContact CD1-CB 4.15Å; Y139-L153 HydrophobicContact CD1-CD1 3.97Å; Y139-L153 HydrophobicContact CE1-CB 4.44Å; Y139-L153 HydrophobicContact CE1-CD1 3.61Å; Y139-L153 HydrophobicContact CE2-CD1 4.45Å; Y139-K215 WeakPolarHBondContact CB-O 3.22Å; Y139-K215 PolarHBondContact O-N 2.9Å; Y139-N216 HydrophobicContact CD2-CB 3.7Å; Y139-N216 HydrophobicContact CE2-CB 4.38Å; Y139-N216 HydrophobicContact CG-CB 4.18Å; Y139-T217 PolarHBondContact N-OG1 2.86Å; Y139-T217 VanDerWaalsContact N-OG1 3.15Å; Y139-L1136 WeakPolarHBondContact OH-CD1 3.35Å; Y139-L1136 WeakPolarHBondContact OH-CD2 3.31Å; Y139-Y1140 VanDerWaalsContact CE2-OH 3.31Å; Y139-Y1140 WeakPolarHBondContact CE2-OH 3.19Å |
| 140 | I | 85.8 | Confident | 74.8 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140 | 173.5 | 64.2 | 167.9 | 0 | 0 | 0 | 109.1 | I122 T142 L151 K152 R154 I208 A212 S213 L214 | I122-I140 HydrophobicContact CD1-CG2 4.27Å; I140-T142 HydrophobicContact CD1-CG2 3.71Å; I140-T142 HydrophobicContact CG1-CG2 3.99Å; I140-L151 CarbonylContact O-C 3.47Å; I140-K152 HydrophobicContact CG1-CB 4.11Å; I140-K152 PolarHBondContact N-O 3.04Å; I140-K152 PolarHBondContact O-N 3.34Å; I140-R154 HydrophobicContact CD1-CG 3.69Å; I140-R154 HydrophobicContact CG1-CG 3.91Å; I140-I208 HydrophobicContact CG2-CG2 4.19Å; I140-A212 HydrophobicContact CB-CB 4.45Å; I140-A212 HydrophobicContact CD1-CB 4.33Å; I140-S213 CarbonylContact C-O 3.55Å; I140-S213 WeakPolarHBondContact CA-O 3.27Å; I140-L214 HydrophobicContact CG2-CD1 4.35Å |
| 141 | E | 78.5 | Confident | 73.8 | Confident | 40 Ų | 40 | 25.9 Ų | 25.9 | 19% | 0.187 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.4 | 168.8 | 178.6 | -177.4 | -134.7 | 0 | 0 | 107.8 | L151 A212 S213 K215 | E141-L151 HydrophobicContact CB-CD2 3.86Å; E141-A212 CarbonylContact O-C 3.52Å; E141-A212 VanDerWaalsContact O-CA 3.24Å; E141-A212 WeakPolarHBondContact O-CA 3.39Å; E141-A212 WeakPolarHBondContact O-CB 3.37Å; E141-S213 WeakPolarHBondContact CB-OG 3.49Å; E141-S213 PolarHBondContact N-O 2.92Å; E141-S213 PolarHBondContact O-N 3.1Å; E141-S213 PolarHBondContact OE2-OG 2.99Å; E141-K215 HydrophobicContact CB-CG 3.77Å; E141-K215 WeakPolarHBondContact OE2-CE 3.36Å; E141-K215 IonicContact OE2-NZ 3.58Å |
| 142 | T | 72.1 | Confident | 73 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | trans | -105.9 | 15 | -177.6 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | I140 N144 L145 D146 K152 A212 | I140-T142 HydrophobicContact CD1-CG2 3.71Å; I140-T142 HydrophobicContact CG1-CG2 3.99Å; T142-N144 PolarHBondContact O-N 2.77Å; T142-L145 HydrophobicContact CG2-CD1 4.33Å; T142-L145 WeakPolarHBondContact O-CA 3.46Å; T142-L145 WeakPolarHBondContact O-CB 3.45Å; T142-L145 PolarHBondContact O-N 3.32Å; T142-D146 VanDerWaalsContact C-OD1 3.27Å; T142-D146 WeakPolarHBondContact CB-OD1 3.11Å; T142-D146 WeakPolarHBondContact CB-OD2 3.31Å; T142-D146 PolarHBondContact O-N 3.47Å; T142-D146 VanDerWaalsContact OG1-CG 3.27Å; T142-D146 PolarHBondContact OG1-OD1 2.91Å; T142-D146 PolarHBondContact OG1-OD2 3.34Å; T142-K152 HydrophobicContact CG2-CD 3.98Å; T142-K152 HydrophobicContact CG2-CG 4.42Å; T142-K152 WeakPolarHBondContact OG1-CD 3.48Å; T142-K152 VanDerWaalsContact OG1-CE 3.24Å; T142-K152 WeakPolarHBondContact OG1-CE 3.37Å; T142-A212 HydrophobicContact CG2-CB 4.22Å | ||
| 143 | S | 60.9 | Low | 72.6 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -51 | -34.6 | -179.4 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | L145 G147 E148 E789 | S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 3.21Å; S143-G147 WeakPolarHBondContact O-CA 3.4Å; S143-G147 PolarHBondContact O-N 3.03Å; S143-E148 WeakPolarHBondContact CA-O 3.21Å; S143-E148 PolarHBondContact N-O 3.02Å; S143-E789 WeakPolarHBondContact CB-O 3.45Å; S143-E789 PolarHBondContact OG-O 2.77Å |
| 144 | N | 62.5 | Low | 72.6 | Confident | 44 Ų | 44 | 28.9 Ų | 28.9 | 24% | 0.235 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74 | -14.2 | 173.9 | -74.3 | -35.2 | 0 | 0 | 0 | 114 | T142 G211 A770 G790 Q792 | T142-N144 PolarHBondContact O-N 2.77Å; N144-G211 WeakPolarHBondContact CB-O 3.49Å; N144-G211 PolarHBondContact ND2-O 2.96Å; N144-G211 VanDerWaalsContact ND2-O 3.17Å; N144-A770 VanDerWaalsContact O-CB 3.28Å; N144-A770 WeakPolarHBondContact O-CB 3.29Å; N144-G790 WeakPolarHBondContact OD1-CA 3.42Å; N144-Q792 HydrophobicContact CB-CG 4.38Å; N144-Q792 PolarHBondContact O-NE2 3.3Å; N144-Q792 PolarHBondContact O-OE1 3.44Å |
| 145 | L | 66.8 | Low | 72.9 | Confident | 18 Ų | 18 | 28.3 Ų | 28.3 | 9% | 0.094 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -103.9 | -47 | -176 | -54.7 | -172.5 | 0 | 0 | 0 | 111.8 | T142 S143 L209 R210 A212 V233 A770 | T142-L145 HydrophobicContact CG2-CD1 4.33Å; T142-L145 WeakPolarHBondContact O-CA 3.46Å; T142-L145 WeakPolarHBondContact O-CB 3.45Å; T142-L145 PolarHBondContact O-N 3.32Å; S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 3.21Å; L145-L209 HydrophobicContact CD1-CB 3.52Å; L145-L209 HydrophobicContact CD1-CD1 3.94Å; L145-L209 HydrophobicContact CD1-CG 4.33Å; L145-R210 VanDerWaalsContact CD2-O 3.28Å; L145-R210 WeakPolarHBondContact CD2-O 3.3Å; L145-A212 HydrophobicContact CD1-CB 4.02Å; L145-V233 HydrophobicContact CD2-CB 4.3Å; L145-V233 HydrophobicContact CD2-CG1 3.98Å; L145-V233 HydrophobicContact CD2-CG2 3.31Å; L145-A770 WeakPolarHBondContact O-CB 3.35Å |
| 146 | D | 62 | Low | 73.3 | Confident | 18 Ų | 18 | 23.8 Ų | 23.8 | 10% | 0.096 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -131.6 | 16.6 | -172 | 56.6 | 23.9 | 0 | 0 | 0 | 111.1 | T142 E148 K152 N771 | T142-D146 VanDerWaalsContact C-OD1 3.27Å; T142-D146 WeakPolarHBondContact CB-OD1 3.11Å; T142-D146 WeakPolarHBondContact CB-OD2 3.31Å; T142-D146 PolarHBondContact O-N 3.47Å; T142-D146 VanDerWaalsContact OG1-CG 3.27Å; T142-D146 PolarHBondContact OG1-OD1 2.91Å; T142-D146 PolarHBondContact OG1-OD2 3.34Å; D146-E148 PolarHBondContact O-N 3.15Å; D146-E148 WeakPolarHBondContact OD1-CB 3.49Å; D146-E148 PolarHBondContact OD1-N 2.84Å; D146-E148 VanDerWaalsContact OD1-N 3.07Å; D146-K152 WeakPolarHBondContact OD2-CE 3.44Å; D146-K152 IonicContact OD2-NZ 3.97Å; D146-K152 PolarHBondContact OD2-NZ 2.85Å; D146-N771 VanDerWaalsContact CA-OD1 3.24Å; D146-N771 WeakPolarHBondContact CA-OD1 3.45Å; D146-N771 PolarHBondContact O-ND2 3.27Å; D146-N771 PolarHBondContact O-OD1 2.94Å |
| 147 | G | 49.3 | Very low | 73.4 | Confident | 12 Ų | 12 | 24.5 Ų | 24.5 | 12% | 0.124 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 60.3 | 1.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S143 | S143-G147 WeakPolarHBondContact O-CA 3.4Å; S143-G147 PolarHBondContact O-N 3.03Å |
| 148 | E | 56.7 | Low | 73.3 | Confident | 78 Ų | 78 | 29.4 Ų | 29.4 | 36% | 0.364 | 16% | 0.157 | S | C | . | . | trans | -84.9 | 126 | -178 | -69.1 | 175 | -170.6 | 0 | 0 | 108.8 | S143 D146 N150 K152 | S143-E148 WeakPolarHBondContact CA-O 3.21Å; S143-E148 PolarHBondContact N-O 3.02Å; D146-E148 PolarHBondContact O-N 3.15Å; D146-E148 WeakPolarHBondContact OD1-CB 3.49Å; D146-E148 PolarHBondContact OD1-N 2.84Å; D146-E148 VanDerWaalsContact OD1-N 3.07Å; E148-N150 VanDerWaalsContact C-N 3.34Å; E148-K152 WeakPolarHBondContact OE2-CE 3.49Å; E148-K152 IonicContact OE2-NZ 2.89Å; E148-K152 PolarHBondContact OE2-NZ 2.93Å | ||
| 149 | T | 48.4 | Very low | 73.2 | Confident | 36 Ų | 36 | 32.1 Ų | 32.1 | 22% | 0.221 | 17% | 0.173 | C | C | . | . | trans | -87.1 | -13.5 | -178.4 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | E789 | T149-E789 HydrophobicContact CG2-CB 4Å; T149-E789 HydrophobicContact CG2-CG 3.83Å; T149-E789 WeakPolarHBondContact CG2-OE1 3.45Å; T149-E789 WeakPolarHBondContact CG2-OE2 3.39Å | ||
| 150 | N | 61.7 | Low | 73.4 | Confident | 57 Ų | 57 | 31.1 Ų | 31.1 | 31% | 0.305 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -63.7 | 138.4 | 174.9 | -64.9 | -25.8 | 0 | 0 | 0 | 109.5 | E148 K152 E1126 | E148-N150 VanDerWaalsContact C-N 3.34Å; N150-K152 PolarHBondContact O-N 3.25Å; N150-E1126 VanDerWaalsContact CB-OE1 3.3Å; N150-E1126 WeakPolarHBondContact CB-OE1 3.48Å |
| 151 | L | 71.9 | Confident | 73.4 | Confident | 48 Ų | 48 | 32.9 Ų | 32.9 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 111.8 | 173.7 | -64.4 | -177 | 0 | 0 | 0 | 109.2 | Y139 I140 E141 K215 N216 | Y139-L151 HydrophobicContact CD1-CB 4.15Å; I140-L151 CarbonylContact O-C 3.47Å; E141-L151 HydrophobicContact CB-CD2 3.86Å; L151-K215 HydrophobicContact CD1-CB 4.23Å; L151-K215 HydrophobicContact CD2-CB 3.57Å; L151-K215 HydrophobicContact CD2-CG 3.8Å; L151-N216 HydrophobicContact CD1-CB 4.33Å; L151-N216 WeakPolarHBondContact CD1-ND2 3.47Å |
| 152 | K | 74.5 | Confident | 73.9 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 12% | 0.122 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.7 | 176.5 | -62.5 | -167 | 178.4 | -174.1 | 0 | 109.7 | I140 T142 D146 E148 N150 | I140-K152 HydrophobicContact CG1-CB 4.11Å; I140-K152 PolarHBondContact N-O 3.04Å; I140-K152 PolarHBondContact O-N 3.34Å; T142-K152 HydrophobicContact CG2-CD 3.98Å; T142-K152 HydrophobicContact CG2-CG 4.42Å; T142-K152 WeakPolarHBondContact OG1-CD 3.48Å; T142-K152 VanDerWaalsContact OG1-CE 3.24Å; T142-K152 WeakPolarHBondContact OG1-CE 3.37Å; D146-K152 WeakPolarHBondContact OD2-CE 3.44Å; D146-K152 IonicContact OD2-NZ 3.97Å; D146-K152 PolarHBondContact OD2-NZ 2.85Å; E148-K152 WeakPolarHBondContact OE2-CE 3.49Å; E148-K152 IonicContact OE2-NZ 2.89Å; E148-K152 PolarHBondContact OE2-NZ 2.93Å; N150-K152 PolarHBondContact O-N 3.25Å |
| 153 | L | 81.6 | Confident | 74.7 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124.1 | 173.6 | -173.9 | 74.4 | 0 | 0 | 0 | 109.9 | M137 Y139 V1131 L1136 | M137-L153 HydrophobicContact CB-CD1 4.08Å; M137-L153 HydrophobicContact CG-CD1 4.42Å; M137-L153 HydrophobicContact SD-CD1 4.28Å; M137-L153 HydrophobicContact SD-CD2 4.3Å; Y139-L153 HydrophobicContact CD1-CD1 3.97Å; Y139-L153 HydrophobicContact CE1-CB 4.44Å; Y139-L153 HydrophobicContact CE1-CD1 3.61Å; Y139-L153 HydrophobicContact CE2-CD1 4.45Å; L153-V1131 HydrophobicContact CD2-CB 3.62Å; L153-V1131 HydrophobicContact CD2-CG2 3.81Å; L153-L1136 HydrophobicContact CD1-CD1 4.3Å; L153-L1136 HydrophobicContact CD2-CD1 4.08Å |
| 154 | R | 86.1 | Confident | 76 | Confident | 28 Ų | 28 | 39 Ų | 39 | 11% | 0.106 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 149.6 | 169.3 | -61.3 | -68.5 | 176.7 | 174.7 | -4.6 | 109.6 | L128 M137 C138 I140 P204 T205 I208 | L128-R154 HydrophobicContact CD2-CB 4.16Å; M137-R154 CarbonylContact C-O 3.48Å; M137-R154 VanDerWaalsContact CA-O 3.31Å; M137-R154 WeakPolarHBondContact CA-O 3.44Å; C138-R154 PolarHBondContact N-O 3.37Å; C138-R154 PolarHBondContact O-N 3.46Å; I140-R154 HydrophobicContact CD1-CG 3.69Å; I140-R154 HydrophobicContact CG1-CG 3.91Å; R154-P204 PolarHBondContact NH1-O 3.48Å; R154-T205 WeakPolarHBondContact CB-O 3.08Å; R154-I208 HydrophobicContact CB-CG1 4.49Å; R154-I208 HydrophobicContact CG-CG1 4.35Å |
| 155 | Q | 86.4 | Confident | 77.1 | Confident | 40 Ų | 40 | 39.6 Ų | 39.6 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 122.4 | -177.1 | -170.1 | -177.2 | 14.9 | 0 | 0 | 110 | M137 T205 Q206 | M137-Q155 HydrophobicContact CG-CG 4.26Å; Q155-T205 PolarHBondContact N-O 2.93Å; Q155-T205 VanDerWaalsContact N-O 3.08Å; Q155-Q206 WeakPolarHBondContact O-CG 3.42Å; Q155-Q206 PolarHBondContact O-NE2 2.96Å; Q155-Q206 VanDerWaalsContact O-NE2 3.09Å |
| 156 | G | 87.9 | Confident | 78 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -68.7 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | L128 A136 | L128-G156 WeakPolarHBondContact O-CA 3.47Å; A136-G156 PolarHBondContact O-N 3.24Å | ||
| 157 | L | 87.8 | Confident | 79 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | trans | -73 | 140.5 | 175.9 | -68.7 | 171.2 | 0 | 0 | 0 | 110.6 | V159 T160 T161 I192 H200 L202 Q206 | L157-V159 PolarHBondContact O-N 2.84Å; L157-V159 VanDerWaalsContact O-N 3.14Å; L157-T160 HydrophobicContact CB-CG2 4.49Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-T160 VanDerWaalsContact O-N 3.1Å; L157-T160 PolarHBondContact O-OG1 3.46Å; L157-T160 VanDerWaalsContact O-OG1 3.05Å; L157-T161 PolarHBondContact O-N 2.78Å; L157-T161 PolarHBondContact O-OG1 2.79Å; L157-I192 HydrophobicContact CD1-CG2 3.26Å; L157-H200 HydrophobicContact CD1-CB 3.94Å; L157-H200 HydrophobicContact CD2-CB 4.4Å; L157-L202 HydrophobicContact CD1-CD2 3.79Å; L157-L202 HydrophobicContact CG-CD2 4.25Å; L157-Q206 HydrophobicContact CD2-CG 4.24Å; L157-Q206 HydrophobicContact CG-CG 4.21Å | ||
| 158 | P | 85.3 | Confident | 80.7 | Confident | 103 Ų | 103 | 43.3 Ų | 43.3 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -55.6 | -32.7 | 173.8 | -27.1 | 34.9 | 0 | 0 | 0 | 112.8 | T160 T161 | P158-T160 PolarHBondContact O-N 2.77Å; P158-T161 WeakPolarHBondContact CA-OG1 3.45Å; P158-T161 WeakPolarHBondContact O-CB 3.35Å; P158-T161 PolarHBondContact O-N 2.91Å; P158-T161 PolarHBondContact O-OG1 3.17Å |
| 159 | V | 86.9 | Confident | 82.2 | Confident | 58 Ų | 58 | 39.7 Ų | 39.7 | 35% | 0.352 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -68.8 | -32.6 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | L157 H162 T194 | L157-V159 PolarHBondContact O-N 2.84Å; L157-V159 VanDerWaalsContact O-N 3.14Å; V159-H162 PolarHBondContact O-CE1 2.87Å; V159-H162 PolarHBondContact O-ND1 2.79Å; V159-T194 HydrophobicContact CG1-CG2 4.43Å |
| 160 | T | 89 | Confident | 83.9 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -93.4 | -3 | -178.5 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | L129 L157 P158 H162 L163 F172 | L129-T160 HydrophobicContact CD2-CG2 4.24Å; L129-T160 CarbonylContact O-C 3.52Å; L129-T160 WeakPolarHBondContact O-CB 3.37Å; L129-T160 PolarHBondContact O-OG1 3.41Å; L157-T160 HydrophobicContact CB-CG2 4.49Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-T160 VanDerWaalsContact O-N 3.1Å; L157-T160 PolarHBondContact O-OG1 3.46Å; L157-T160 VanDerWaalsContact O-OG1 3.05Å; P158-T160 PolarHBondContact O-N 2.77Å; T160-H162 PolarHBondContact O-N 3.36Å; T160-H162 VanDerWaalsContact O-N 3.13Å; T160-L163 HydrophobicContact CG2-CD1 4.18Å; T160-L163 WeakPolarHBondContact O-CB 3.36Å; T160-L163 WeakPolarHBondContact O-CG 3.12Å; T160-L163 PolarHBondContact O-N 2.85Å; T160-L163 VanDerWaalsContact O-N 3.11Å; T160-F172 HydrophobicContact CG2-CE1 4.31Å; T160-F172 HydrophobicContact CG2-CE2 4.32Å; T160-F172 HydrophobicContact CG2-CZ 3.77Å |
| 161 | T | 86.4 | Confident | 85 | Confident | 38 Ų | 38 | 42 Ų | 42 | 23% | 0.233 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.4 | -174.9 | -61.5 | 0 | 0 | 0 | 0 | 113.6 | A136 L157 P158 L163 | A136-T161 HydrophobicContact CB-CG2 4.3Å; L157-T161 PolarHBondContact O-N 2.78Å; L157-T161 PolarHBondContact O-OG1 2.79Å; P158-T161 WeakPolarHBondContact CA-OG1 3.45Å; P158-T161 WeakPolarHBondContact O-CB 3.35Å; P158-T161 PolarHBondContact O-N 2.91Å; P158-T161 PolarHBondContact O-OG1 3.17Å; T161-L163 VanDerWaalsContact C-N 3.31Å; T161-L163 PolarHBondContact O-N 3.19Å |
| 162 | H | 87.8 | Confident | 85.7 | Confident | 112 Ų | 112 | 42.1 Ų | 42.1 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10 | -178.9 | 68.3 | -83 | 0 | 0 | 0 | 114 | V159 T160 L164 | V159-H162 PolarHBondContact O-CE1 2.87Å; V159-H162 PolarHBondContact O-ND1 2.79Å; T160-H162 PolarHBondContact O-N 3.36Å; T160-H162 VanDerWaalsContact O-N 3.13Å; H162-L164 VanDerWaalsContact C-N 3.26Å; H162-L164 PolarHBondContact O-N 3.48Å |
| 163 | L | 88.8 | Confident | 86.4 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | trans | -77.1 | 71.6 | -177.6 | -58 | 175.4 | 0 | 0 | 0 | 110.8 | A130 T160 T161 E168 L169 F172 F221 | A130-L163 HydrophobicContact CB-CB 4.3Å; A130-L163 WeakPolarHBondContact CB-O 3.33Å; T160-L163 HydrophobicContact CG2-CD1 4.18Å; T160-L163 WeakPolarHBondContact O-CB 3.36Å; T160-L163 WeakPolarHBondContact O-CG 3.12Å; T160-L163 PolarHBondContact O-N 2.85Å; T160-L163 VanDerWaalsContact O-N 3.11Å; T161-L163 VanDerWaalsContact C-N 3.31Å; T161-L163 PolarHBondContact O-N 3.19Å; L163-E168 HydrophobicContact CD2-CB 4.02Å; L163-L169 HydrophobicContact CB-CD2 4.27Å; L163-L169 HydrophobicContact CB-CG 4.26Å; L163-L169 HydrophobicContact CD1-CD2 4.44Å; L163-F172 HydrophobicContact CD1-CB 4.11Å; L163-F172 HydrophobicContact CD1-CD1 3.92Å; L163-F172 HydrophobicContact CD1-CD2 3.83Å; L163-F172 HydrophobicContact CD1-CE1 4.28Å; L163-F172 HydrophobicContact CD1-CE2 4.2Å; L163-F172 HydrophobicContact CD1-CG 3.67Å; L163-F172 HydrophobicContact CD1-CZ 4.41Å; L163-F172 HydrophobicContact CD2-CB 4.07Å; L163-F172 HydrophobicContact CD2-CD2 4.19Å; L163-F172 HydrophobicContact CD2-CG 4.28Å; L163-F221 WeakPolarHBondContact O-CD2 3.37Å | ||
| 164 | L | 87.7 | Confident | 86.7 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 31% | 0.314 | 28% | 0.276 | S | S | . | . | trans | -96.9 | -11.2 | -171.8 | -60 | 179.6 | 0 | 0 | 0 | 113.2 | H162 E168 W219 G1149 | H162-L164 VanDerWaalsContact C-N 3.26Å; H162-L164 PolarHBondContact O-N 3.48Å; L164-E168 PolarHBondContact N-OE2 3.13Å; L164-W219 HydrophobicContact CD2-CH2 3.88Å; L164-G1149 WeakPolarHBondContact O-CA 3.46Å | ||
| 165 | T | 86.8 | Confident | 87 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 34% | 0.344 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -123.1 | 154.7 | -178.5 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | G167 E168 L169 R1150 | T165-G167 PolarHBondContact O-N 3.23Å; T165-E168 PolarHBondContact N-OE2 3.35Å; T165-E168 PolarHBondContact O-N 3.28Å; T165-E168 VanDerWaalsContact OG1-CG 3.25Å; T165-E168 WeakPolarHBondContact OG1-CG 3.42Å; T165-E168 PolarHBondContact OG1-N 3.21Å; T165-E168 PolarHBondContact OG1-OE2 3.23Å; T165-L169 WeakPolarHBondContact O-CD1 3.45Å; T165-L169 PolarHBondContact O-N 2.82Å; T165-L169 VanDerWaalsContact O-N 3.1Å; T165-R1150 CarbonylContact C-O 3.57Å; T165-R1150 VanDerWaalsContact CA-O 3.28Å; T165-R1150 WeakPolarHBondContact CA-O 3.45Å; T165-R1150 WeakPolarHBondContact CB-O 3.43Å |
| 166 | A | 84.7 | Confident | 87.2 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57 | -35.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L95 W100 S170 R1150 | L95-A166 HydrophobicContact CD1-CB 4Å; W100-A166 HydrophobicContact CZ2-CB 4.45Å; A166-S170 WeakPolarHBondContact O-CB 3.48Å; A166-S170 PolarHBondContact O-N 3.23Å; A166-S170 PolarHBondContact O-OG 2.98Å; A166-R1150 PolarHBondContact N-O 3.43Å |
| 167 | G | 84.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -50 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T165 L169 S170 S171 | T165-G167 PolarHBondContact O-N 3.23Å; G167-L169 PolarHBondContact O-N 3.46Å; G167-S170 PolarHBondContact O-N 2.75Å; G167-S170 PolarHBondContact O-OG 3.24Å; G167-S171 PolarHBondContact O-N 3.39Å; G167-S171 VanDerWaalsContact O-N 3.15Å |
| 168 | E | 85.2 | Confident | 87.4 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.4 | -71.1 | 161.4 | 161.4 | 0 | 0 | 111.7 | L163 L164 T165 S170 S171 F172 | L163-E168 HydrophobicContact CD2-CB 4.02Å; L164-E168 PolarHBondContact N-OE2 3.13Å; T165-E168 PolarHBondContact N-OE2 3.35Å; T165-E168 PolarHBondContact O-N 3.28Å; T165-E168 VanDerWaalsContact OG1-CG 3.25Å; T165-E168 WeakPolarHBondContact OG1-CG 3.42Å; T165-E168 PolarHBondContact OG1-N 3.21Å; T165-E168 PolarHBondContact OG1-OE2 3.23Å; E168-S170 VanDerWaalsContact C-N 3.31Å; E168-S170 PolarHBondContact O-N 3.42Å; E168-S171 PolarHBondContact O-N 3.1Å; E168-S171 PolarHBondContact O-OG 2.73Å; E168-F172 PolarHBondContact O-N 3.32Å; E168-F172 VanDerWaalsContact O-N 3.15Å |
| 169 | L | 86.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 175.3 | -78 | 149.2 | 0 | 0 | 0 | 112.5 | L95 W100 L129 L163 T165 G167 S171 F172 F221 | L95-L169 HydrophobicContact CD2-CB 3.95Å; W100-L169 HydrophobicContact CH2-CD1 4.33Å; W100-L169 HydrophobicContact CZ2-CD1 4.09Å; L129-L169 HydrophobicContact CD1-CD2 4.15Å; L163-L169 HydrophobicContact CB-CD2 4.27Å; L163-L169 HydrophobicContact CB-CG 4.26Å; L163-L169 HydrophobicContact CD1-CD2 4.44Å; T165-L169 WeakPolarHBondContact O-CD1 3.45Å; T165-L169 PolarHBondContact O-N 2.82Å; T165-L169 VanDerWaalsContact O-N 3.1Å; G167-L169 PolarHBondContact O-N 3.46Å; L169-S171 PolarHBondContact O-N 2.95Å; L169-F172 WeakPolarHBondContact O-CB 3.23Å; L169-F172 PolarHBondContact O-N 2.97Å; L169-F221 HydrophobicContact CD1-CB 4.21Å; L169-F221 HydrophobicContact CD1-CD1 4Å; L169-F221 HydrophobicContact CD1-CD2 3.29Å; L169-F221 HydrophobicContact CD1-CE1 4.15Å; L169-F221 HydrophobicContact CD1-CE2 3.44Å; L169-F221 VanDerWaalsContact CD1-CE2 3.44Å; L169-F221 HydrophobicContact CD1-CG 3.58Å; L169-F221 HydrophobicContact CD1-CZ 3.88Å; L169-F221 HydrophobicContact CD2-CB 4.16Å; L169-F221 HydrophobicContact CD2-CD2 4.38Å; L169-F221 HydrophobicContact CD2-CG 4.42Å; L169-F221 HydrophobicContact CG-CD2 4.28Å |
| 170 | S | 84.7 | Confident | 87.8 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.1 | -21.5 | -179.8 | 69.8 | 0 | 0 | 0 | 0 | 113.8 | H98 A166 G167 E168 | H98-S170 PolarHBondContact CE1-OG 3.2Å; H98-S170 WeakPolarHBondContact ND1-CB 3.38Å; H98-S170 PolarHBondContact ND1-OG 3.04Å; A166-S170 WeakPolarHBondContact O-CB 3.48Å; A166-S170 PolarHBondContact O-N 3.23Å; A166-S170 PolarHBondContact O-OG 2.98Å; G167-S170 PolarHBondContact O-N 2.75Å; G167-S170 PolarHBondContact O-OG 3.24Å; E168-S170 VanDerWaalsContact C-N 3.31Å; E168-S170 PolarHBondContact O-N 3.42Å |
| 171 | S | 85.3 | Confident | 87.7 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 66% | 0.657 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -88.7 | -11.5 | 173.8 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | G167 E168 L169 D173 | G167-S171 PolarHBondContact O-N 3.39Å; G167-S171 VanDerWaalsContact O-N 3.15Å; E168-S171 PolarHBondContact O-N 3.1Å; E168-S171 PolarHBondContact O-OG 2.73Å; L169-S171 PolarHBondContact O-N 2.95Å; S171-D173 PolarHBondContact O-N 3.44Å |
| 172 | F | 86.4 | Confident | 87.7 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 23% | 0.228 | 34% | 0.34 | C | S | . | . | trans | -83 | 109.2 | -177 | -178 | -104.2 | 0 | 0 | 0 | 110.5 | T160 L163 E168 L169 A174 I192 T194 | T160-F172 HydrophobicContact CG2-CE1 4.31Å; T160-F172 HydrophobicContact CG2-CE2 4.32Å; T160-F172 HydrophobicContact CG2-CZ 3.77Å; L163-F172 HydrophobicContact CD1-CB 4.11Å; L163-F172 HydrophobicContact CD1-CD1 3.92Å; L163-F172 HydrophobicContact CD1-CD2 3.83Å; L163-F172 HydrophobicContact CD1-CE1 4.28Å; L163-F172 HydrophobicContact CD1-CE2 4.2Å; L163-F172 HydrophobicContact CD1-CG 3.67Å; L163-F172 HydrophobicContact CD1-CZ 4.41Å; L163-F172 HydrophobicContact CD2-CB 4.07Å; L163-F172 HydrophobicContact CD2-CD2 4.19Å; L163-F172 HydrophobicContact CD2-CG 4.28Å; E168-F172 PolarHBondContact O-N 3.32Å; E168-F172 VanDerWaalsContact O-N 3.15Å; L169-F172 WeakPolarHBondContact O-CB 3.23Å; L169-F172 PolarHBondContact O-N 2.97Å; F172-A174 HydrophobicContact CD1-CB 4.31Å; F172-A174 HydrophobicContact CE1-CB 3.58Å; F172-A174 HydrophobicContact CZ-CB 3.82Å; F172-I192 HydrophobicContact CE1-CD1 4.23Å; F172-I192 HydrophobicContact CZ-CD1 4.37Å; F172-T194 HydrophobicContact CE2-CG2 4.17Å; F172-T194 HydrophobicContact CZ-CG2 4.17Å | ||
| 173 | D | 88.3 | Confident | 87.4 | Confident | 115 Ų | 115 | 60.7 Ų | 60.7 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | trans | -103.4 | 126.2 | 175.2 | -168.6 | 13.3 | 0 | 0 | 0 | 110.5 | S171 A195 | S171-D173 PolarHBondContact O-N 3.44Å; D173-A195 PolarHBondContact O-N 2.96Å; D173-A195 VanDerWaalsContact O-N 3.08Å | ||
| 174 | A | 88.8 | Confident | 86.9 | Confident | 32 Ų | 32 | 65.9 Ų | 65.9 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 150.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F172 I192 R193 | F172-A174 HydrophobicContact CD1-CB 4.31Å; F172-A174 HydrophobicContact CE1-CB 3.58Å; F172-A174 HydrophobicContact CZ-CB 3.82Å; A174-I192 HydrophobicContact CB-CD1 3.96Å; A174-I192 HydrophobicContact CB-CG1 3.83Å; A174-R193 CarbonylContact C-O 3.42Å; A174-R193 WeakPolarHBondContact CA-O 3.24Å; A174-R193 WeakPolarHBondContact CB-O 3.48Å |
| 175 | V | 91.4 | Very high | 86.5 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 53% | 0.527 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | E177 R193 | V175-E177 HydrophobicContact CG1-CG 4.5Å; V175-R193 PolarHBondContact N-O 3.45Å; V175-R193 PolarHBondContact O-N 3.24Å |
| 176 | V | 90.7 | Very high | 85.9 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.8 | 175.1 | 178 | 0 | 0 | 0 | 0 | 110.1 | V191 I192 L202 L223 | V176-V191 WeakPolarHBondContact CA-O 3.06Å; V176-I192 HydrophobicContact CG2-CB 4.03Å; V176-I192 HydrophobicContact CG2-CD1 3.86Å; V176-I192 HydrophobicContact CG2-CG1 3.73Å; V176-L202 HydrophobicContact CG1-CD1 3.91Å; V176-L223 HydrophobicContact CB-CD2 4.23Å; V176-L223 HydrophobicContact CG2-CD2 3.52Å |
| 177 | E | 90.4 | Very high | 85.8 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 46% | 0.458 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121.4 | 171.9 | -63.3 | 178.1 | 148.8 | 0 | 0 | 107.8 | V175 G190 V191 R193 | V175-E177 HydrophobicContact CG1-CG 4.5Å; E177-G190 CarbonylContact O-C 3.54Å; E177-G190 WeakPolarHBondContact O-CA 3.4Å; E177-V191 PolarHBondContact N-O 3.15Å; E177-V191 PolarHBondContact O-N 3.42Å; E177-R193 IonicContact OE2-CZ 2.7Å; E177-R193 IonicContact OE2-NE 3.87Å; E177-R193 PolarHBondContact OE2-NE 3.3Å; E177-R193 VanDerWaalsContact OE2-NE 3.09Å; E177-R193 IonicContact OE2-NH2 3.09Å; E177-R193 PolarHBondContact OE2-NH2 2.78Å |
| 178 | C | 89.4 | Confident | 85.9 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 37% | 0.372 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 165.1 | -180 | 65.1 | 0 | 0 | 0 | 0 | 112 | F188 V225 | C178-F188 HydrophobicContact CB-CE2 4.05Å; C178-F188 HydrophobicContact CB-CZ 3.97Å; C178-V225 HydrophobicContact CB-CG1 4.46Å; C178-V225 VanDerWaalsContact SG-CG1 3.56Å |
| 179 | E | 90 | Very high | 86 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 163.3 | 173.2 | 65.3 | 174.3 | 174.2 | 0 | 0 | 113 | N182 F188 V189 Y226 K232 | E179-N182 PolarHBondContact OE1-ND2 3.2Å; E179-N182 PolarHBondContact OE2-ND2 2.96Å; E179-N182 VanDerWaalsContact OE2-ND2 3.13Å; E179-F188 WeakPolarHBondContact OE1-CA 3.13Å; E179-V189 PolarHBondContact N-O 2.87Å; E179-Y226 PolarHBondContact O-OH 2.8Å; E179-K232 IonicContact OE1-NZ 3.48Å |
| 180 | P | 90.5 | Very high | 86.1 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 68% | 0.675 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 152.8 | 169.6 | 27 | -35.4 | 0 | 0 | 0 | 112 | N182 | P180-N182 PolarHBondContact O-N 3.19Š|
| 181 | P | 86.7 | Confident | 86.4 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 126.5 | 178.8 | -23.6 | 30.2 | 0 | 0 | 0 | 113 | Y226 E230 L235 | P181-Y226 HydrophobicContact CB-CD1 4.39Å; P181-Y226 HydrophobicContact CB-CE1 4.36Å; P181-Y226 HydrophobicContact CG-CD1 3.75Å; P181-Y226 HydrophobicContact CG-CE1 3.72Å; P181-Y226 HydrophobicContact CG-CG 4.5Å; P181-E230 HydrophobicContact CB-CB 4.18Å; P181-E230 WeakPolarHBondContact CB-O 3.38Å; P181-E230 HydrophobicContact CG-CB 3.9Å; P181-E230 HydrophobicContact CG-CG 4.3Å; P181-L235 HydrophobicContact CB-CD1 3.77Å |
| 182 | N | 86.8 | Confident | 86.7 | Confident | 35 Ų | 35 | 67 Ų | 67 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | trans | -130.5 | 169.1 | 179.4 | 71 | 45.9 | 0 | 0 | 0 | 111.9 | E179 P180 K184 K232 L235 | E179-N182 PolarHBondContact OE1-ND2 3.2Å; E179-N182 PolarHBondContact OE2-ND2 2.96Å; E179-N182 VanDerWaalsContact OE2-ND2 3.13Å; P180-N182 PolarHBondContact O-N 3.19Å; N182-K184 PolarHBondContact OD1-N 3.18Å; N182-K184 VanDerWaalsContact OD1-N 3.1Å; N182-K184 PolarHBondContact OD1-O 2.99Å; N182-K232 PolarHBondContact OD1-NZ 2.95Å; N182-L235 WeakPolarHBondContact O-CD1 3.32Å | ||
| 183 | R | 81.9 | Confident | 86.9 | Confident | 175 Ų | 175 | 69.7 Ų | 69.7 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -84.3 | -6.5 | -175.9 | -78.1 | -176.5 | 178.3 | 158.4 | 5.7 | 115.2 | L185 L235 N236 | R183-L185 PolarHBondContact O-N 2.56Å; R183-L235 HydrophobicContact CG-CB 3.94Å; R183-L235 PolarHBondContact NE-O 3.48Å; R183-N236 VanDerWaalsContact CB-OD1 3.28Å; R183-N236 WeakPolarHBondContact CB-OD1 3.14Å; R183-N236 WeakPolarHBondContact CG-OD1 3.41Å; R183-N236 PolarHBondContact O-ND2 2.83Å; R183-N236 PolarHBondContact O-OD1 2.84Å |
| 184 | K | 78.5 | Confident | 86.8 | Confident | 113 Ų | 113 | 64.9 Ų | 64.9 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | trans | -89 | 113 | -170.8 | -62.8 | 180 | 179.8 | -176.9 | 0 | 109.8 | N182 D186 E187 K232 | N182-K184 PolarHBondContact OD1-N 3.18Å; N182-K184 VanDerWaalsContact OD1-N 3.1Å; N182-K184 PolarHBondContact OD1-O 2.99Å; K184-D186 VanDerWaalsContact C-N 3.3Å; K184-D186 PolarHBondContact O-N 3.19Å; K184-E187 HydrophobicContact CB-CB 3.98Å; K184-E187 HydrophobicContact CB-CG 4.34Å; K184-E187 HydrophobicContact CD-CB 4.26Å; K184-E187 HydrophobicContact CD-CG 4.05Å; K184-E187 VanDerWaalsContact CD-OE1 3.32Å; K184-E187 WeakPolarHBondContact CD-OE1 3.47Å; K184-E187 WeakPolarHBondContact CD-OE2 3.48Å; K184-E187 WeakPolarHBondContact CE-OE2 3.46Å; K184-E187 IonicContact NZ-OE1 2.94Å; K184-E187 PolarHBondContact NZ-OE1 3.37Å; K184-E187 IonicContact NZ-OE2 3.44Å; K184-E187 PolarHBondContact NZ-OE2 3.15Å; K184-K232 WeakPolarHBondContact O-CD 3.39Å; K184-K232 PolarHBondContact O-NZ 3.03Å | ||
| 185 | L | 78.5 | Confident | 86.4 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 23% | 0.225 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.8 | -176.5 | -62.4 | 172 | 0 | 0 | 0 | 112.5 | R183 L209 K232 | R183-L185 PolarHBondContact O-N 2.56Å; L185-L209 HydrophobicContact CB-CD1 4.23Å; L185-L209 HydrophobicContact CD2-CD1 3.82Å; L185-K232 HydrophobicContact CD2-CB 3.97Å |
| 186 | D | 75.7 | Confident | 85.9 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 65% | 0.647 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.9 | -175.2 | -54.4 | -46.1 | 0 | 0 | 0 | 114.3 | K184 P204 | K184-D186 VanDerWaalsContact C-N 3.3Å; K184-D186 PolarHBondContact O-N 3.19Å; D186-P204 WeakPolarHBondContact O-CG 3.4Å |
| 187 | E | 81.1 | Confident | 85.3 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 43% | 0.425 | 38% | 0.383 | S | S | . | . | trans | -109.8 | 132.8 | 176.3 | -72.2 | -178.1 | -157.1 | 0 | 0 | 109.5 | K184 K232 | K184-E187 HydrophobicContact CB-CB 3.98Å; K184-E187 HydrophobicContact CB-CG 4.34Å; K184-E187 HydrophobicContact CD-CB 4.26Å; K184-E187 HydrophobicContact CD-CG 4.05Å; K184-E187 VanDerWaalsContact CD-OE1 3.32Å; K184-E187 WeakPolarHBondContact CD-OE1 3.47Å; K184-E187 WeakPolarHBondContact CD-OE2 3.48Å; K184-E187 WeakPolarHBondContact CE-OE2 3.46Å; K184-E187 IonicContact NZ-OE1 2.94Å; K184-E187 PolarHBondContact NZ-OE1 3.37Å; K184-E187 IonicContact NZ-OE2 3.44Å; K184-E187 PolarHBondContact NZ-OE2 3.15Å; E187-K232 PolarHBondContact O-NZ 3.35Å | ||
| 188 | F | 86.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.013 | 38% | 0.384 | C | S | . | . | trans | -157.1 | 128.3 | 169.8 | 179.6 | -111.5 | 0 | 0 | 0 | 107.5 | V127 C178 E179 L202 P204 L207 Y226 | V127-F188 HydrophobicContact CG2-CE1 4.27Å; V127-F188 HydrophobicContact CG2-CZ 4.28Å; C178-F188 HydrophobicContact CB-CE2 4.05Å; C178-F188 HydrophobicContact CB-CZ 3.97Å; E179-F188 WeakPolarHBondContact OE1-CA 3.13Å; F188-L202 HydrophobicContact CD1-CB 4.38Å; F188-L202 HydrophobicContact CE1-CB 3.84Å; F188-L202 HydrophobicContact CE1-CD1 4.39Å; F188-P204 HydrophobicContact CB-CG 4.32Å; F188-P204 WeakPolarHBondContact O-CD 3.34Å; F188-L207 HydrophobicContact CB-CB 4.42Å; F188-L207 HydrophobicContact CB-CD2 3.8Å; F188-L207 HydrophobicContact CD1-CB 4.01Å; F188-L207 HydrophobicContact CD1-CD1 4.37Å; F188-L207 HydrophobicContact CD1-CD2 4.31Å; F188-L207 HydrophobicContact CD1-CG 4.47Å; F188-L207 HydrophobicContact CD2-CD1 4.31Å; F188-L207 HydrophobicContact CD2-CD2 3.75Å; F188-L207 HydrophobicContact CE1-CB 4.5Å; F188-L207 HydrophobicContact CE1-CD1 4.22Å; F188-L207 HydrophobicContact CE2-CD1 4.16Å; F188-L207 HydrophobicContact CE2-CD2 4.38Å; F188-L207 HydrophobicContact CG-CB 4.2Å; F188-L207 HydrophobicContact CG-CD1 4.41Å; F188-L207 HydrophobicContact CG-CD2 3.69Å; F188-L207 HydrophobicContact CG-CG 4.33Å; F188-L207 HydrophobicContact CZ-CD1 4.11Å; F188-Y226 HydrophobicContact CD2-CE2 4.41Å; F188-Y226 HydrophobicContact CE2-CE2 4.03Å | ||
| 189 | V | 88 | Confident | 84.9 | Confident | 95 Ų | 95 | 69.8 Ų | 69.8 | 58% | 0.576 | 39% | 0.387 | S | S | * | . | trans | -127 | 119.6 | 177 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | E179 | E179-V189 PolarHBondContact N-O 2.87Š| ||
| 190 | G | 88.9 | Confident | 84.7 | Confident | 7 Ų | 7 | 69.7 Ų | 69.7 | 7% | 0.072 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E177 L202 | E177-G190 CarbonylContact O-C 3.54Å; E177-G190 WeakPolarHBondContact O-CA 3.4Å; G190-L202 PolarHBondContact N-O 2.87Å; G190-L202 PolarHBondContact O-N 2.83Å |
| 191 | V | 90.7 | Very high | 84.7 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 130.9 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 107.8 | V176 E177 R193 A199 H200 | V176-V191 WeakPolarHBondContact CA-O 3.06Å; E177-V191 PolarHBondContact N-O 3.15Å; E177-V191 PolarHBondContact O-N 3.42Å; V191-R193 HydrophobicContact CG1-CG 4.22Å; V191-A199 HydrophobicContact CG1-CB 3.62Å; V191-H200 WeakPolarHBondContact CA-O 3.47Å |
| 192 | I | 91.3 | Very high | 84.8 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.2 | 166.6 | -172.1 | 166.2 | 0 | 0 | 0 | 109 | L129 L157 F172 A174 V176 H200 L202 | L129-I192 HydrophobicContact CD2-CD1 4.3Å; L157-I192 HydrophobicContact CD1-CG2 3.26Å; F172-I192 HydrophobicContact CE1-CD1 4.23Å; F172-I192 HydrophobicContact CZ-CD1 4.37Å; A174-I192 HydrophobicContact CB-CD1 3.96Å; A174-I192 HydrophobicContact CB-CG1 3.83Å; V176-I192 HydrophobicContact CG2-CB 4.03Å; V176-I192 HydrophobicContact CG2-CD1 3.86Å; V176-I192 HydrophobicContact CG2-CG1 3.73Å; I192-H200 HydrophobicContact CG2-CB 3.85Å; I192-H200 PolarHBondContact N-O 3.05Å; I192-H200 PolarHBondContact O-N 3.1Å; I192-L202 HydrophobicContact CB-CD1 4.23Å; I192-L202 HydrophobicContact CB-CG 4.43Å; I192-L202 HydrophobicContact CG2-CD2 4.18Å; I192-L202 HydrophobicContact CG2-CG 4.35Å |
| 193 | R | 90 | Very high | 84.7 | Confident | 108 Ų | 108 | 68.5 Ų | 68.5 | 41% | 0.408 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 113.9 | 175.3 | -63.9 | 177.4 | -175 | -99 | 2.9 | 108.3 | A174 V175 E177 V191 I198 A199 | A174-R193 CarbonylContact C-O 3.42Å; A174-R193 WeakPolarHBondContact CA-O 3.24Å; A174-R193 WeakPolarHBondContact CB-O 3.48Å; V175-R193 PolarHBondContact N-O 3.45Å; V175-R193 PolarHBondContact O-N 3.24Å; E177-R193 IonicContact OE2-CZ 2.7Å; E177-R193 IonicContact OE2-NE 3.87Å; E177-R193 PolarHBondContact OE2-NE 3.3Å; E177-R193 VanDerWaalsContact OE2-NE 3.09Å; E177-R193 IonicContact OE2-NH2 3.09Å; E177-R193 PolarHBondContact OE2-NH2 2.78Å; V191-R193 HydrophobicContact CG1-CG 4.22Å; R193-I198 WeakPolarHBondContact CA-O 3.2Å; R193-A199 HydrophobicContact CG-CB 4.35Å |
| 194 | T | 86.4 | Confident | 84.9 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 166.5 | 174.2 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | V159 F172 D196 G197 I198 | V159-T194 HydrophobicContact CG1-CG2 4.43Å; F172-T194 HydrophobicContact CE2-CG2 4.17Å; F172-T194 HydrophobicContact CZ-CG2 4.17Å; T194-D196 PolarHBondContact O-N 2.65Å; T194-G197 WeakPolarHBondContact O-CA 3.38Å; T194-G197 PolarHBondContact O-N 3.29Å; T194-I198 PolarHBondContact N-O 3.11Å |
| 195 | A | 82.1 | Confident | 85.2 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 65% | 0.653 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -28.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | D173 G197 | D173-A195 PolarHBondContact O-N 2.96Å; D173-A195 VanDerWaalsContact O-N 3.08Å; A195-G197 PolarHBondContact O-N 3.04Å |
| 196 | D | 79.4 | Confident | 85.7 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.4 | 175.6 | -56.9 | -35.3 | 0 | 0 | 0 | 113.8 | T194 I198 | T194-D196 PolarHBondContact O-N 2.65Å; D196-I198 VanDerWaalsContact C-N 3.26Å; D196-I198 HydrophobicContact CB-CD1 4.36Å; D196-I198 HydrophobicContact CB-CG1 4.26Å; D196-I198 PolarHBondContact O-N 3.14Å |
| 197 | G | 78.9 | Confident | 86.5 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 54% | 0.536 | 31% | 0.308 | S | S | . | . | trans | 78.9 | 1.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T194 A195 A199 | T194-G197 WeakPolarHBondContact O-CA 3.38Å; T194-G197 PolarHBondContact O-N 3.29Å; A195-G197 PolarHBondContact O-N 3.04Å; G197-A199 PolarHBondContact O-N 3.5Å | ||
| 198 | I | 85.4 | Confident | 87 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | trans | -75.6 | 124.3 | 179.9 | -56.6 | 175.4 | 0 | 0 | 0 | 109.2 | R193 T194 D196 H200 | R193-I198 WeakPolarHBondContact CA-O 3.2Å; T194-I198 PolarHBondContact N-O 3.11Å; D196-I198 VanDerWaalsContact C-N 3.26Å; D196-I198 HydrophobicContact CB-CD1 4.36Å; D196-I198 HydrophobicContact CB-CG1 4.26Å; D196-I198 PolarHBondContact O-N 3.14Å; I198-H200 WeakPolarHBondContact CG2-NE2 3.44Å | ||
| 199 | A | 85 | Confident | 87.2 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 124.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V191 R193 G197 | V191-A199 HydrophobicContact CG1-CB 3.62Å; R193-A199 HydrophobicContact CG-CB 4.35Å; G197-A199 PolarHBondContact O-N 3.5Å |
| 200 | H | 87.2 | Confident | 87.1 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.8 | 172.3 | -60.7 | -74.8 | 0 | 0 | 0 | 110.1 | L157 V191 I192 I198 | L157-H200 HydrophobicContact CD1-CB 3.94Å; L157-H200 HydrophobicContact CD2-CB 4.4Å; V191-H200 WeakPolarHBondContact CA-O 3.47Å; I192-H200 HydrophobicContact CG2-CB 3.85Å; I192-H200 PolarHBondContact N-O 3.05Å; I192-H200 PolarHBondContact O-N 3.1Å; I198-H200 WeakPolarHBondContact CG2-NE2 3.44Å |
| 201 | P | 89.6 | Confident | 86.6 | Confident | 83 Ų | 83 | 44.2 Ų | 44.2 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 137 | -180 | 29.7 | -34 | 0 | 0 | 0 | 110.9 | ||
| 202 | L | 88.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.9 | 169.7 | -62.4 | 172.6 | 0 | 0 | 0 | 109 | V127 L157 V176 F188 G190 I192 Q206 | V127-L202 HydrophobicContact CG1-CD1 4.1Å; V127-L202 HydrophobicContact CG1-CD2 3.82Å; V127-L202 HydrophobicContact CG2-CD1 4.17Å; L157-L202 HydrophobicContact CD1-CD2 3.79Å; L157-L202 HydrophobicContact CG-CD2 4.25Å; V176-L202 HydrophobicContact CG1-CD1 3.91Å; F188-L202 HydrophobicContact CD1-CB 4.38Å; F188-L202 HydrophobicContact CE1-CB 3.84Å; F188-L202 HydrophobicContact CE1-CD1 4.39Å; G190-L202 PolarHBondContact N-O 2.87Å; G190-L202 PolarHBondContact O-N 2.83Å; I192-L202 HydrophobicContact CB-CD1 4.23Å; I192-L202 HydrophobicContact CB-CG 4.43Å; I192-L202 HydrophobicContact CG2-CD2 4.18Å; I192-L202 HydrophobicContact CG2-CG 4.35Å; L202-Q206 HydrophobicContact CD2-CB 4.06Å; L202-Q206 HydrophobicContact CD2-CG 4.13Å |
| 203 | N | 85.4 | Confident | 86.1 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | trans | -112.9 | 175.1 | 179 | -67.4 | -10 | 0 | 0 | 0 | 109.2 | T205 Q206 | N203-T205 PolarHBondContact O-N 3.35Å; N203-Q206 PolarHBondContact O-N 3.36Å; N203-Q206 VanDerWaalsContact O-N 3.08Å; N203-Q206 PolarHBondContact O-OE1 3.49Å | ||
| 204 | P | 85.1 | Confident | 86.1 | Confident | 36 Ų | 36 | 37.6 Ų | 37.6 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -54.2 | -27.6 | 175.2 | -23.9 | 31.8 | 0 | 0 | 0 | 113.1 | R154 D186 F188 Q206 L207 | R154-P204 PolarHBondContact NH1-O 3.48Å; D186-P204 WeakPolarHBondContact O-CG 3.4Å; F188-P204 HydrophobicContact CB-CG 4.32Å; F188-P204 WeakPolarHBondContact O-CD 3.34Å; P204-Q206 PolarHBondContact O-N 3.18Å; P204-L207 PolarHBondContact O-N 2.84Å |
| 205 | T | 85 | Confident | 85.9 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -65.3 | -24.2 | -179.2 | 53.6 | 0 | 0 | 0 | 0 | 114 | R154 Q155 N203 A1130 | R154-T205 WeakPolarHBondContact CB-O 3.08Å; Q155-T205 PolarHBondContact N-O 2.93Å; Q155-T205 VanDerWaalsContact N-O 3.08Å; N203-T205 PolarHBondContact O-N 3.35Å; T205-A1130 HydrophobicContact CG2-CB 3.57Å |
| 206 | Q | 90.2 | Very high | 85.7 | Confident | 17 Ų | 17 | 37.3 Ų | 37.3 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -92.2 | -11.8 | 173.4 | -70.4 | 73.1 | 42.2 | 0 | 0 | 113 | L128 Q155 L157 L202 N203 P204 | L128-Q206 WeakPolarHBondContact CB-O 3.28Å; L128-Q206 PolarHBondContact N-O 3.39Å; Q155-Q206 WeakPolarHBondContact O-CG 3.42Å; Q155-Q206 PolarHBondContact O-NE2 2.96Å; Q155-Q206 VanDerWaalsContact O-NE2 3.09Å; L157-Q206 HydrophobicContact CD2-CG 4.24Å; L157-Q206 HydrophobicContact CG-CG 4.21Å; L202-Q206 HydrophobicContact CD2-CB 4.06Å; L202-Q206 HydrophobicContact CD2-CG 4.13Å; N203-Q206 PolarHBondContact O-N 3.36Å; N203-Q206 VanDerWaalsContact O-N 3.08Å; N203-Q206 PolarHBondContact O-OE1 3.49Å; P204-Q206 PolarHBondContact O-N 3.18Å |
| 207 | L | 91.4 | Very high | 86 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.5 | -178.3 | -170.4 | 72.8 | 0 | 0 | 0 | 110.7 | D125 V127 F188 P204 L209 K232 | D125-L207 HydrophobicContact CB-CD1 4.44Å; V127-L207 HydrophobicContact CG2-CD1 4.32Å; F188-L207 HydrophobicContact CB-CB 4.42Å; F188-L207 HydrophobicContact CB-CD2 3.8Å; F188-L207 HydrophobicContact CD1-CB 4.01Å; F188-L207 HydrophobicContact CD1-CD1 4.37Å; F188-L207 HydrophobicContact CD1-CD2 4.31Å; F188-L207 HydrophobicContact CD1-CG 4.47Å; F188-L207 HydrophobicContact CD2-CD1 4.31Å; F188-L207 HydrophobicContact CD2-CD2 3.75Å; F188-L207 HydrophobicContact CE1-CB 4.5Å; F188-L207 HydrophobicContact CE1-CD1 4.22Å; F188-L207 HydrophobicContact CE2-CD1 4.16Å; F188-L207 HydrophobicContact CE2-CD2 4.38Å; F188-L207 HydrophobicContact CG-CB 4.2Å; F188-L207 HydrophobicContact CG-CD1 4.41Å; F188-L207 HydrophobicContact CG-CD2 3.69Å; F188-L207 HydrophobicContact CG-CG 4.33Å; F188-L207 HydrophobicContact CZ-CD1 4.11Å; P204-L207 PolarHBondContact O-N 2.84Å; L207-L209 HydrophobicContact CD2-CD2 3.43Å; L207-L209 VanDerWaalsContact CD2-CD2 3.43Å; L207-L209 HydrophobicContact CG-CD2 3.88Å; L207-K232 HydrophobicContact CD2-CD 4.48Å |
| 208 | I | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.4 | 174.2 | -62.2 | 178.1 | 0 | 0 | 0 | 107 | I122 D125 L126 L128 I140 R154 I220 | I122-I208 HydrophobicContact CD1-CG2 3.13Å; I122-I208 HydrophobicContact CG1-CG2 3.93Å; I122-I208 HydrophobicContact CG2-CG2 4.06Å; D125-I208 CarbonylContact C-O 3.44Å; D125-I208 WeakPolarHBondContact CA-O 3.48Å; L126-I208 HydrophobicContact CB-CB 4.48Å; L126-I208 PolarHBondContact N-O 3.25Å; L126-I208 PolarHBondContact O-N 3.49Å; L128-I208 HydrophobicContact CB-CD1 3.87Å; L128-I208 HydrophobicContact CB-CG1 4.32Å; L128-I208 HydrophobicContact CD1-CD1 3.94Å; L128-I208 HydrophobicContact CD2-CD1 4.2Å; L128-I208 HydrophobicContact CG-CD1 4.22Å; I140-I208 HydrophobicContact CG2-CG2 4.19Å; R154-I208 HydrophobicContact CB-CG1 4.49Å; R154-I208 HydrophobicContact CG-CG1 4.35Å; I208-I220 HydrophobicContact CD1-CD1 3.46Å; I208-I220 VanDerWaalsContact CD1-CD1 3.46Å |
| 209 | L | 91 | Very high | 86.7 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | trans | -91.1 | 148.6 | -171.1 | -60.2 | 177.7 | 0 | 0 | 0 | 111.7 | D125 L145 L185 L207 A212 K232 | D125-L209 HydrophobicContact CB-CD2 4.5Å; D125-L209 WeakPolarHBondContact OD1-CA 3.29Å; L145-L209 HydrophobicContact CD1-CB 3.52Å; L145-L209 HydrophobicContact CD1-CD1 3.94Å; L145-L209 HydrophobicContact CD1-CG 4.33Å; L185-L209 HydrophobicContact CB-CD1 4.23Å; L185-L209 HydrophobicContact CD2-CD1 3.82Å; L207-L209 HydrophobicContact CD2-CD2 3.43Å; L207-L209 VanDerWaalsContact CD2-CD2 3.43Å; L207-L209 HydrophobicContact CG-CD2 3.88Å; L209-A212 PolarHBondContact O-N 3Å; L209-K232 HydrophobicContact CD2-CB 4.39Å; L209-K232 HydrophobicContact CD2-CD 3.84Å; L209-K232 HydrophobicContact CD2-CG 4.29Å | ||
| 210 | R | 85.9 | Confident | 87.2 | Confident | 12 Ų | 12 | 26.2 Ų | 26.2 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 143.7 | 167.6 | 177.7 | 175.9 | 175.4 | 148 | 2.7 | 109.5 | I122 P123 A124 D125 L145 A212 S231 V233 | I122-R210 WeakPolarHBondContact O-CA 3.19Å; P123-R210 WeakPolarHBondContact O-CD 3.39Å; P123-R210 WeakPolarHBondContact O-CG 3.44Å; A124-R210 PolarHBondContact O-N 3.49Å; D125-R210 PolarHBondContact OD1-N 2.94Å; L145-R210 VanDerWaalsContact CD2-O 3.28Å; L145-R210 WeakPolarHBondContact CD2-O 3.3Å; R210-A212 PolarHBondContact O-N 2.77Å; R210-S231 WeakPolarHBondContact CD-OG 3.3Å; R210-V233 HydrophobicContact CB-CG2 4.35Å; R210-V233 WeakPolarHBondContact O-CG2 3.27Å |
| 211 | G | 78.3 | Confident | 87.5 | Confident | 19 Ų | 19 | 24.3 Ų | 24.3 | 20% | 0.196 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -13.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | I122 N144 | I122-G211 PolarHBondContact O-N 2.97Å; I122-G211 VanDerWaalsContact O-N 3.08Å; N144-G211 WeakPolarHBondContact CB-O 3.49Å; N144-G211 PolarHBondContact ND2-O 2.96Å; N144-G211 VanDerWaalsContact ND2-O 3.17Å |
| 212 | A | 86.2 | Confident | 87.7 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | trans | -70 | 159.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I122 I140 E141 T142 L145 L209 R210 | I122-A212 WeakPolarHBondContact CB-O 3.31Å; I122-A212 HydrophobicContact CD1-CB 3.62Å; I122-A212 WeakPolarHBondContact CD1-O 3.02Å; I122-A212 PolarHBondContact N-O 3.47Å; I140-A212 HydrophobicContact CB-CB 4.45Å; I140-A212 HydrophobicContact CD1-CB 4.33Å; E141-A212 CarbonylContact O-C 3.52Å; E141-A212 VanDerWaalsContact O-CA 3.24Å; E141-A212 WeakPolarHBondContact O-CA 3.39Å; E141-A212 WeakPolarHBondContact O-CB 3.37Å; T142-A212 HydrophobicContact CG2-CB 4.22Å; L145-A212 HydrophobicContact CD1-CB 4.02Å; L209-A212 PolarHBondContact O-N 3Å; R210-A212 PolarHBondContact O-N 2.77Å | ||
| 213 | S | 85.5 | Confident | 88.1 | Confident | 14 Ų | 14 | 21.9 Ų | 21.9 | 10% | 0.098 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.2 | 174.1 | 87.8 | 0 | 0 | 0 | 0 | 110.4 | E120 I140 E141 K215 | E120-S213 WeakPolarHBondContact O-CA 3.34Å; I140-S213 CarbonylContact C-O 3.55Å; I140-S213 WeakPolarHBondContact CA-O 3.27Å; E141-S213 WeakPolarHBondContact CB-OG 3.49Å; E141-S213 PolarHBondContact N-O 2.92Å; E141-S213 PolarHBondContact O-N 3.1Å; E141-S213 PolarHBondContact OE2-OG 2.99Å; S213-K215 WeakPolarHBondContact OG-CE 3.43Å |
| 214 | L | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 125.9 | 175.2 | -172.8 | 70.7 | 0 | 0 | 0 | 109.4 | V116 N119 E120 C138 I140 T217 I220 | V116-L214 HydrophobicContact CG1-CB 4.15Å; V116-L214 HydrophobicContact CG1-CD2 4.43Å; V116-L214 WeakPolarHBondContact O-CD2 3.32Å; N119-L214 VanDerWaalsContact CA-O 3.24Å; N119-L214 WeakPolarHBondContact CA-O 3.22Å; N119-L214 PolarHBondContact N-O 3.4Å; E120-L214 PolarHBondContact O-N 3.04Å; C138-L214 HydrophobicContact CB-CD1 4.03Å; I140-L214 HydrophobicContact CG2-CD1 4.35Å; L214-T217 HydrophobicContact CD1-CG2 4.18Å; L214-T217 HydrophobicContact CD2-CG2 4.32Å; L214-I220 HydrophobicContact CD1-CD1 4.16Å; L214-I220 HydrophobicContact CD1-CG1 4.27Å; L214-I220 HydrophobicContact CD1-CG2 3.72Å; L214-I220 HydrophobicContact CD2-CG1 4.1Å; L214-I220 HydrophobicContact CD2-CG2 4.13Å |
| 215 | K | 82.5 | Confident | 88.8 | Confident | 51 Ų | 51 | 17 Ų | 17 | 22% | 0.222 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 158.9 | 178.8 | -66 | -64.7 | -177.4 | 174.9 | 0 | 110.3 | N119 Y139 E141 L151 S213 T217 | N119-K215 VanDerWaalsContact OD1-CD 3.23Å; N119-K215 WeakPolarHBondContact OD1-CD 3.34Å; N119-K215 PolarHBondContact OD1-NZ 3.37Å; Y139-K215 WeakPolarHBondContact CB-O 3.22Å; Y139-K215 PolarHBondContact O-N 2.9Å; E141-K215 HydrophobicContact CB-CG 3.77Å; E141-K215 WeakPolarHBondContact OE2-CE 3.36Å; E141-K215 IonicContact OE2-NZ 3.58Å; L151-K215 HydrophobicContact CD1-CB 4.23Å; L151-K215 HydrophobicContact CD2-CB 3.57Å; L151-K215 HydrophobicContact CD2-CG 3.8Å; S213-K215 WeakPolarHBondContact OG-CE 3.43Å; K215-T217 WeakPolarHBondContact O-CB 3.49Å; K215-T217 PolarHBondContact O-N 2.85Å; K215-T217 PolarHBondContact O-OG1 2.94Å |
| 216 | N | 78.2 | Confident | 89.1 | Confident | 38 Ų | 38 | 15.3 Ų | 15.3 | 20% | 0.203 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 46.5 | 25.4 | 174.5 | -64.6 | 1.1 | 0 | 0 | 0 | 115.5 | Y139 L151 Q468 | Y139-N216 HydrophobicContact CD2-CB 3.7Å; Y139-N216 HydrophobicContact CE2-CB 4.38Å; Y139-N216 HydrophobicContact CG-CB 4.18Å; L151-N216 HydrophobicContact CD1-CB 4.33Å; L151-N216 WeakPolarHBondContact CD1-ND2 3.47Å; N216-Q468 VanDerWaalsContact CG-CD 3.49Å |
| 217 | T | 84.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | trans | -146.5 | 129.6 | -177 | -61.8 | 0 | 0 | 0 | 0 | 106 | S118 S131 E133 C138 Y139 L214 K215 W219 I220 | S118-T217 WeakPolarHBondContact CA-O 3.31Å; S118-T217 WeakPolarHBondContact CB-O 3.21Å; S118-T217 PolarHBondContact OG-O 3.23Å; S131-T217 VanDerWaalsContact OG-CG2 3.24Å; S131-T217 WeakPolarHBondContact OG-CG2 3.14Å; E133-T217 HydrophobicContact CG-CG2 4.24Å; C138-T217 WeakPolarHBondContact CA-OG1 3.47Å; C138-T217 HydrophobicContact CB-CG2 3.86Å; Y139-T217 PolarHBondContact N-OG1 2.86Å; Y139-T217 VanDerWaalsContact N-OG1 3.15Å; L214-T217 HydrophobicContact CD1-CG2 4.18Å; L214-T217 HydrophobicContact CD2-CG2 4.32Å; K215-T217 WeakPolarHBondContact O-CB 3.49Å; K215-T217 PolarHBondContact O-N 2.85Å; K215-T217 PolarHBondContact O-OG1 2.94Å; T217-W219 WeakPolarHBondContact CG2-O 3.44Å; T217-I220 HydrophobicContact CG2-CG2 3.88Å | ||
| 218 | K | 87.4 | Confident | 88.6 | Confident | 93 Ų | 93 | 15.4 Ų | 15.4 | 40% | 0.404 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -68.6 | -44.3 | -174 | -72.1 | -170.4 | 172.5 | -171.5 | 0 | 111.9 | S118 S132 K1146 | S118-K218 PolarHBondContact N-O 2.85Å; S132-K218 PolarHBondContact OG-N 3.45Å; K218-K1146 HydrophobicContact CD-CB 4.07Å; K218-K1146 HydrophobicContact CD-CD 4.35Å; K218-K1146 HydrophobicContact CG-CD 4.3Å |
| 219 | W | 92.7 | Very high | 87.9 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 2% | 0.023 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 156.8 | 178.5 | 55.8 | -95.8 | 0 | 0 | 0 | 110.7 | V116 L117 S132 L164 T217 F221 P1147 D1148 | V116-W219 VanDerWaalsContact O-CA 3.23Å; V116-W219 WeakPolarHBondContact O-CA 3.38Å; L117-W219 HydrophobicContact CD2-CB 4.16Å; S132-W219 PolarHBondContact N-O 3.26Å; S132-W219 VanDerWaalsContact N-O 3.08Å; L164-W219 HydrophobicContact CD2-CH2 3.88Å; T217-W219 WeakPolarHBondContact CG2-O 3.44Å; W219-F221 HydrophobicContact CD2-CZ 4.44Å; W219-F221 HydrophobicContact CE3-CD1 4.19Å; W219-F221 AromaticContact CE3-CD2 3.9Å; W219-F221 HydrophobicContact CE3-CD2 3.9Å; W219-F221 AromaticContact CE3-CE1 4Å; W219-F221 HydrophobicContact CE3-CE1 4Å; W219-F221 AromaticContact CE3-CE2 3.73Å; W219-F221 HydrophobicContact CE3-CE2 3.73Å; W219-F221 HydrophobicContact CE3-CG 4.15Å; W219-F221 AromaticContact CE3-CZ 3.79Å; W219-F221 HydrophobicContact CE3-CZ 3.79Å; W219-F221 HydrophobicContact CH2-CD2 4.05Å; W219-F221 AromaticContact CH2-CE2 3.59Å; W219-F221 HydrophobicContact CH2-CE2 3.59Å; W219-F221 HydrophobicContact CH2-CZ 4.2Å; W219-F221 HydrophobicContact CZ3-CD1 4.37Å; W219-F221 AromaticContact CZ3-CD2 3.26Å; W219-F221 HydrophobicContact CZ3-CD2 3.26Å; W219-F221 HydrophobicContact CZ3-CE1 4.25Å; W219-F221 AromaticContact CZ3-CE2 3.14Å; W219-F221 HydrophobicContact CZ3-CE2 3.14Å; W219-F221 AromaticContact CZ3-CG 3.93Å; W219-F221 HydrophobicContact CZ3-CG 3.93Å; W219-F221 AromaticContact CZ3-CZ 3.69Å; W219-F221 HydrophobicContact CZ3-CZ 3.69Å; W219-P1147 HydrophobicContact CZ2-CB 4.22Å; W219-P1147 HydrophobicContact CZ2-CG 4.01Å; W219-P1147 PolarHBondContact NE1-O 2.93Å; W219-D1148 PolarHBondContact NE1-O 2.84Å |
| 220 | I | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 154.8 | 167.4 | 59.9 | 167.1 | 0 | 0 | 0 | 110.4 | K115 V116 L128 A130 C138 I208 L214 T217 | K115-I220 WeakPolarHBondContact CA-O 3.27Å; V116-I220 HydrophobicContact CB-CD1 4.17Å; V116-I220 HydrophobicContact CB-CG1 3.77Å; V116-I220 HydrophobicContact CG2-CD1 4.38Å; V116-I220 HydrophobicContact CG2-CG1 4.32Å; V116-I220 PolarHBondContact N-O 3.32Å; V116-I220 VanDerWaalsContact N-O 3.15Å; V116-I220 PolarHBondContact O-N 2.81Å; L128-I220 HydrophobicContact CD1-CB 3.92Å; L128-I220 HydrophobicContact CD1-CG2 3.99Å; A130-I220 WeakPolarHBondContact O-CA 3.33Å; C138-I220 HydrophobicContact CB-CG2 3.57Å; I208-I220 HydrophobicContact CD1-CD1 3.46Å; I208-I220 VanDerWaalsContact CD1-CD1 3.46Å; L214-I220 HydrophobicContact CD1-CD1 4.16Å; L214-I220 HydrophobicContact CD1-CG1 4.27Å; L214-I220 HydrophobicContact CD1-CG2 3.72Å; L214-I220 HydrophobicContact CD2-CG1 4.1Å; L214-I220 HydrophobicContact CD2-CG2 4.13Å; T217-I220 HydrophobicContact CG2-CG2 3.88Å |
| 221 | F | 94.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.9 | 165.8 | -59.8 | -45.4 | 0 | 0 | 0 | 109.4 | W100 V114 K115 L129 A130 L163 L169 W219 | W100-F221 AromaticContact CH2-CD1 3.54Å; W100-F221 HydrophobicContact CH2-CD1 3.54Å; W100-F221 AromaticContact CH2-CE1 3.54Å; W100-F221 HydrophobicContact CH2-CE1 3.54Å; W100-F221 HydrophobicContact CH2-CZ 4.49Å; W100-F221 AromaticContact CZ2-CD1 3.68Å; W100-F221 HydrophobicContact CZ2-CD1 3.68Å; W100-F221 AromaticContact CZ2-CE1 3.16Å; W100-F221 HydrophobicContact CZ2-CE1 3.16Å; W100-F221 AromaticContact CZ2-CZ 3.79Å; W100-F221 HydrophobicContact CZ2-CZ 3.79Å; V114-F221 WeakPolarHBondContact O-CA 3.43Å; K115-F221 HydrophobicContact CB-CD1 3.98Å; K115-F221 HydrophobicContact CB-CE1 3.98Å; K115-F221 HydrophobicContact CD-CE1 3.78Å; K115-F221 HydrophobicContact CG-CD1 4.02Å; K115-F221 HydrophobicContact CG-CE1 3.71Å; L129-F221 PolarHBondContact N-O 3.02Å; A130-F221 HydrophobicContact CB-CD2 4.05Å; A130-F221 PolarHBondContact N-O 2.82Å; A130-F221 PolarHBondContact O-N 3.46Å; L163-F221 WeakPolarHBondContact O-CD2 3.37Å; L169-F221 HydrophobicContact CD1-CB 4.21Å; L169-F221 HydrophobicContact CD1-CD1 4Å; L169-F221 HydrophobicContact CD1-CD2 3.29Å; L169-F221 HydrophobicContact CD1-CE1 4.15Å; L169-F221 HydrophobicContact CD1-CE2 3.44Å; L169-F221 VanDerWaalsContact CD1-CE2 3.44Å; L169-F221 HydrophobicContact CD1-CG 3.58Å; L169-F221 HydrophobicContact CD1-CZ 3.88Å; L169-F221 HydrophobicContact CD2-CB 4.16Å; L169-F221 HydrophobicContact CD2-CD2 4.38Å; L169-F221 HydrophobicContact CD2-CG 4.42Å; L169-F221 HydrophobicContact CG-CD2 4.28Å; W219-F221 HydrophobicContact CD2-CZ 4.44Å; W219-F221 HydrophobicContact CE3-CD1 4.19Å; W219-F221 AromaticContact CE3-CD2 3.9Å; W219-F221 HydrophobicContact CE3-CD2 3.9Å; W219-F221 AromaticContact CE3-CE1 4Å; W219-F221 HydrophobicContact CE3-CE1 4Å; W219-F221 AromaticContact CE3-CE2 3.73Å; W219-F221 HydrophobicContact CE3-CE2 3.73Å; W219-F221 HydrophobicContact CE3-CG 4.15Å; W219-F221 AromaticContact CE3-CZ 3.79Å; W219-F221 HydrophobicContact CE3-CZ 3.79Å; W219-F221 HydrophobicContact CH2-CD2 4.05Å; W219-F221 AromaticContact CH2-CE2 3.59Å; W219-F221 HydrophobicContact CH2-CE2 3.59Å; W219-F221 HydrophobicContact CH2-CZ 4.2Å; W219-F221 HydrophobicContact CZ3-CD1 4.37Å; W219-F221 AromaticContact CZ3-CD2 3.26Å; W219-F221 HydrophobicContact CZ3-CD2 3.26Å; W219-F221 HydrophobicContact CZ3-CE1 4.25Å; W219-F221 AromaticContact CZ3-CE2 3.14Å; W219-F221 HydrophobicContact CZ3-CE2 3.14Å; W219-F221 AromaticContact CZ3-CG 3.93Å; W219-F221 HydrophobicContact CZ3-CG 3.93Å; W219-F221 AromaticContact CZ3-CZ 3.69Å; W219-F221 HydrophobicContact CZ3-CZ 3.69Å |
| 222 | G | 94 | Very high | 87.9 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V114 V127 | V114-G222 PolarHBondContact N-O 2.9Å; V114-G222 PolarHBondContact O-N 2.82Å; V127-G222 CarbonylContact O-C 3.56Å; V127-G222 WeakPolarHBondContact O-CA 3.19Å |
| 223 | L | 94.8 | Very high | 87.5 | Confident | 31 Ų | 31 | 25.6 Ų | 25.6 | 16% | 0.162 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.1 | 171.4 | 178.3 | 71.9 | 0 | 0 | 0 | 110.1 | G111 L113 L126 V127 L129 V176 V225 | G111-L223 WeakPolarHBondContact O-CD1 3.35Å; L113-L223 HydrophobicContact CD2-CB 4.31Å; L113-L223 HydrophobicContact CD2-CD1 3.92Å; L126-L223 CarbonylContact C-O 3.59Å; L126-L223 VanDerWaalsContact CA-O 3.27Å; L126-L223 WeakPolarHBondContact CA-O 3.26Å; V127-L223 HydrophobicContact CB-CB 4.46Å; V127-L223 PolarHBondContact N-O 2.74Å; V127-L223 PolarHBondContact O-N 3.15Å; L129-L223 HydrophobicContact CD1-CB 4.28Å; V176-L223 HydrophobicContact CB-CD2 4.23Å; V176-L223 HydrophobicContact CG2-CD2 3.52Å; L223-V225 PolarHBondContact O-N 3.37Å |
| 224 | T | 94.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 120.3 | -179.5 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | L108 E109 G111 D112 V114 A124 L126 T227 | L108-T224 HydrophobicContact CD2-CG2 4.07Å; L108-T224 HydrophobicContact CG-CG2 4.25Å; E109-T224 WeakPolarHBondContact O-CB 3.48Å; E109-T224 WeakPolarHBondContact O-CG2 3.4Å; G111-T224 PolarHBondContact N-O 2.83Å; D112-T224 WeakPolarHBondContact O-CB 3.33Å; D112-T224 PolarHBondContact O-N 2.86Å; D112-T224 PolarHBondContact O-OG1 2.77Å; V114-T224 VanDerWaalsContact CG2-OG1 3.29Å; V114-T224 WeakPolarHBondContact CG2-OG1 3.45Å; A124-T224 HydrophobicContact CB-CG2 3.79Å; L126-T224 HydrophobicContact CD2-CG2 4.36Å; L126-T224 WeakPolarHBondContact CD2-OG1 3.49Å; T224-T227 HydrophobicContact CG2-CG2 3.39Å |
| 225 | V | 92.7 | Very high | 86.4 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 9% | 0.085 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -51.3 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | V110 D125 V127 C178 L223 | V110-V225 WeakPolarHBondContact CG1-O 3.34Å; D125-V225 PolarHBondContact O-N 2.8Å; V127-V225 HydrophobicContact CB-CG2 4.32Å; V127-V225 HydrophobicContact CG2-CG2 3.51Å; C178-V225 HydrophobicContact CB-CG1 4.46Å; C178-V225 VanDerWaalsContact SG-CG1 3.56Å; L223-V225 PolarHBondContact O-N 3.37Å |
| 226 | Y | 91.6 | Very high | 85.8 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.5 | 178.1 | -51.4 | -54.9 | 0 | 0 | 0 | 111.9 | A124 D125 E179 P181 F188 | A124-Y226 WeakPolarHBondContact CB-O 3.5Å; D125-Y226 HydrophobicContact CB-CD2 4.02Å; D125-Y226 HydrophobicContact CB-CG 4.49Å; D125-Y226 PolarHBondContact N-O 3.15Å; D125-Y226 PolarHBondContact O-N 3.13Å; E179-Y226 PolarHBondContact O-OH 2.8Å; P181-Y226 HydrophobicContact CB-CD1 4.39Å; P181-Y226 HydrophobicContact CB-CE1 4.36Å; P181-Y226 HydrophobicContact CG-CD1 3.75Å; P181-Y226 HydrophobicContact CG-CE1 3.72Å; P181-Y226 HydrophobicContact CG-CG 4.5Å; F188-Y226 HydrophobicContact CD2-CE2 4.41Å; F188-Y226 HydrophobicContact CE2-CE2 4.03Å |
| 227 | T | 89 | Confident | 85.2 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | trans | -122.1 | 160.6 | -176.7 | 61 | 0 | 0 | 0 | 0 | 112.5 | L9 V110 A124 T224 K229 E230 | L9-T227 HydrophobicContact CD1-CG2 3.89Å; V110-T227 HydrophobicContact CG2-CG2 3.95Å; A124-T227 HydrophobicContact CB-CG2 4.19Å; T224-T227 HydrophobicContact CG2-CG2 3.39Å; T227-K229 PolarHBondContact O-N 2.91Å; T227-E230 WeakPolarHBondContact O-CB 3.39Å; T227-E230 PolarHBondContact O-N 2.95Å | ||
| 228 | G | 80.6 | Confident | 84.1 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | 52.5 | -129.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | E230 S231 M234 | G228-E230 PolarHBondContact O-N 3.47Å; G228-S231 PolarHBondContact O-N 2.91Å; G228-S231 PolarHBondContact O-OG 2.81Å; G228-M234 WeakPolarHBondContact O-CB 3.29Å; G228-M234 VanDerWaalsContact O-CG 3.23Å; G228-M234 WeakPolarHBondContact O-CG 3.31Å |
| 229 | K | 78.4 | Confident | 83 | Confident | 157 Ų | 157 | 35.4 Ų | 35.4 | 68% | 0.683 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -67.3 | -14.6 | -179.1 | -68.3 | -175.9 | 178.7 | -179.6 | 0 | 114.4 | T227 L235 | T227-K229 PolarHBondContact O-N 2.91Å; K229-L235 WeakPolarHBondContact O-CD2 3.28Å |
| 230 | E | 85.6 | Confident | 81.5 | Confident | 84 Ų | 84 | 38.5 Ų | 38.5 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -87.4 | -17.4 | 179.6 | -62.4 | -174.5 | 167 | 0 | 0 | 112.4 | P181 T227 G228 L235 | P181-E230 HydrophobicContact CB-CB 4.18Å; P181-E230 WeakPolarHBondContact CB-O 3.38Å; P181-E230 HydrophobicContact CG-CB 3.9Å; P181-E230 HydrophobicContact CG-CG 4.3Å; T227-E230 WeakPolarHBondContact O-CB 3.39Å; T227-E230 PolarHBondContact O-N 2.95Å; G228-E230 PolarHBondContact O-N 3.47Å; E230-L235 WeakPolarHBondContact O-CD1 3.27Å |
| 231 | S | 84.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -57.4 | 142.1 | 171 | 63 | 0 | 0 | 0 | 0 | 111.1 | D125 R210 G228 V233 M234 L235 | D125-S231 WeakPolarHBondContact OD2-CA 3.47Å; R210-S231 WeakPolarHBondContact CD-OG 3.3Å; G228-S231 PolarHBondContact O-N 2.91Å; G228-S231 PolarHBondContact O-OG 2.81Å; S231-V233 PolarHBondContact O-N 3.13Å; S231-V233 VanDerWaalsContact O-N 3.1Å; S231-M234 PolarHBondContact O-N 3.25Å; S231-M234 WeakPolarHBondContact OG-CG 3.21Å; S231-L235 PolarHBondContact O-N 2.77Å |
| 232 | K | 84.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.4 | -33.5 | -173.9 | -64.8 | -168.9 | 178.9 | -112.1 | 0 | 112.7 | D125 E179 N182 K184 L185 E187 L207 L209 L235 N236 | D125-K232 PolarHBondContact OD2-N 2.7Å; E179-K232 IonicContact OE1-NZ 3.48Å; N182-K232 PolarHBondContact OD1-NZ 2.95Å; K184-K232 WeakPolarHBondContact O-CD 3.39Å; K184-K232 PolarHBondContact O-NZ 3.03Å; L185-K232 HydrophobicContact CD2-CB 3.97Å; E187-K232 PolarHBondContact O-NZ 3.35Å; L207-K232 HydrophobicContact CD2-CD 4.48Å; L209-K232 HydrophobicContact CD2-CB 4.39Å; L209-K232 HydrophobicContact CD2-CD 3.84Å; L209-K232 HydrophobicContact CD2-CG 4.29Å; K232-L235 PolarHBondContact O-N 3.09Å; K232-N236 PolarHBondContact O-N 3.07Å; K232-N236 VanDerWaalsContact O-N 3.15Å; K232-N236 PolarHBondContact O-ND2 3.13Å |
| 233 | V | 78.6 | Confident | 78.4 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 176.6 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | L145 R210 S231 L235 N236 S237 | L145-V233 HydrophobicContact CD2-CB 4.3Å; L145-V233 HydrophobicContact CD2-CG1 3.98Å; L145-V233 HydrophobicContact CD2-CG2 3.31Å; R210-V233 HydrophobicContact CB-CG2 4.35Å; R210-V233 WeakPolarHBondContact O-CG2 3.27Å; S231-V233 PolarHBondContact O-N 3.13Å; S231-V233 VanDerWaalsContact O-N 3.1Å; V233-L235 VanDerWaalsContact C-N 3.34Å; V233-N236 CarbonylContact O-C 3.54Å; V233-N236 PolarHBondContact O-N 3.03Å; V233-S237 PolarHBondContact O-N 2.96Å |
| 234 | M | 76.6 | Confident | 77.5 | Confident | 39 Ų | 39 | 54 Ų | 54 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.5 | -32.4 | -179.5 | -65.7 | -60.9 | 101.9 | 0 | 0 | 111.4 | F11 G228 S231 N236 S237 | F11-M234 HydrophobicContact CD2-SD 3.77Å; F11-M234 HydrophobicContact CE2-CE 4.27Å; F11-M234 HydrophobicContact CE2-SD 3.8Å; G228-M234 WeakPolarHBondContact O-CB 3.29Å; G228-M234 VanDerWaalsContact O-CG 3.23Å; G228-M234 WeakPolarHBondContact O-CG 3.31Å; S231-M234 PolarHBondContact O-N 3.25Å; S231-M234 WeakPolarHBondContact OG-CG 3.21Å; M234-N236 PolarHBondContact O-N 3.26Å; M234-S237 PolarHBondContact O-N 2.71Å; M234-S237 PolarHBondContact O-OG 2.89Å |
| 235 | L | 75.3 | Confident | 77.1 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -28.2 | 171.3 | -70.7 | 175.5 | 0 | 0 | 0 | 113.3 | P181 N182 R183 K229 E230 S231 K232 V233 | P181-L235 HydrophobicContact CB-CD1 3.77Å; N182-L235 WeakPolarHBondContact O-CD1 3.32Å; R183-L235 HydrophobicContact CG-CB 3.94Å; R183-L235 PolarHBondContact NE-O 3.48Å; K229-L235 WeakPolarHBondContact O-CD2 3.28Å; E230-L235 WeakPolarHBondContact O-CD1 3.27Å; S231-L235 PolarHBondContact O-N 2.77Å; K232-L235 PolarHBondContact O-N 3.09Å; V233-L235 VanDerWaalsContact C-N 3.34Å |
| 236 | N | 69.9 | Low | 76.8 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -91.5 | -11.7 | 175.1 | -75.1 | -34.2 | 0 | 0 | 0 | 113.9 | R183 K232 V233 M234 T238 | R183-N236 VanDerWaalsContact CB-OD1 3.28Å; R183-N236 WeakPolarHBondContact CB-OD1 3.14Å; R183-N236 WeakPolarHBondContact CG-OD1 3.41Å; R183-N236 PolarHBondContact O-ND2 2.83Å; R183-N236 PolarHBondContact O-OD1 2.84Å; K232-N236 PolarHBondContact O-N 3.07Å; K232-N236 VanDerWaalsContact O-N 3.15Å; K232-N236 PolarHBondContact O-ND2 3.13Å; V233-N236 CarbonylContact O-C 3.54Å; V233-N236 PolarHBondContact O-N 3.03Å; M234-N236 PolarHBondContact O-N 3.26Å; N236-T238 PolarHBondContact O-N 2.68Å; N236-T238 VanDerWaalsContact O-N 3.11Å |
| 237 | S | 64.7 | Low | 76.6 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | trans | -66.7 | 112.3 | 175.1 | 73.8 | 0 | 0 | 0 | 0 | 110.1 | V233 M234 | V233-S237 PolarHBondContact O-N 2.96Å; M234-S237 PolarHBondContact O-N 2.71Å; M234-S237 PolarHBondContact O-OG 2.89Å | ||
| 238 | T | 62.7 | Low | 76.5 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 131.9 | 174.9 | 45.2 | 0 | 0 | 0 | 0 | 109.7 | N236 A240 Q777 | N236-T238 PolarHBondContact O-N 2.68Å; N236-T238 VanDerWaalsContact O-N 3.11Å; T238-A240 PolarHBondContact O-N 2.73Å; T238-Q777 PolarHBondContact O-NE2 3.48Å; T238-Q777 PolarHBondContact OG1-NE2 3.45Å; T238-Q777 PolarHBondContact OG1-OE1 3.03Å |
| 239 | A | 63 | Low | 76.7 | Confident | 95 Ų | 95 | 64 Ų | 64 | 79% | 0.785 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 129.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 240 | A | 62.2 | Low | 77.2 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 127 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110 | T238 | T238-A240 PolarHBondContact O-N 2.73Š|
| 241 | P | 68.8 | Low | 77.4 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 40% | 0.403 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 145.1 | -177.9 | 26.7 | -33.7 | 0 | 0 | 0 | 110.8 | K243 Q777 | P241-K243 HydrophobicContact CG-CG 4.47Å; P241-K243 PolarHBondContact O-N 3.46Å; P241-Q777 HydrophobicContact CG-CB 4.2Å |
| 242 | L | 70 | Confident | 77.5 | Confident | 120 Ų | 120 | 58.4 Ų | 58.4 | 63% | 0.628 | 32% | 0.318 | S | S | * | . | trans | -69.9 | 95.6 | 170.1 | -76.9 | 161.2 | 0 | 0 | 0 | 109.5 | ||||
| 243 | K | 78.5 | Confident | 77.7 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 10% | 0.096 | 34% | 0.343 | C | S | . | . | trans | -77.8 | 137.7 | 174.6 | -58.4 | -171.1 | -174.2 | -176.1 | 0 | 109.9 | P241 L355 I776 A779 H780 D798 | P241-K243 HydrophobicContact CG-CG 4.47Å; P241-K243 PolarHBondContact O-N 3.46Å; K243-L355 HydrophobicContact CB-CD1 3.93Å; K243-L355 HydrophobicContact CB-CD2 4Å; K243-L355 HydrophobicContact CB-CG 4.5Å; K243-L355 HydrophobicContact CD-CD1 3.98Å; K243-I776 PolarHBondContact NZ-O 3.5Å; K243-A779 VanDerWaalsContact CE-O 3.3Å; K243-A779 WeakPolarHBondContact CE-O 3.11Å; K243-A779 PolarHBondContact NZ-O 3.46Å; K243-H780 WeakPolarHBondContact CD-O 3.36Å; K243-D798 WeakPolarHBondContact CD-OD2 3.4Å; K243-D798 WeakPolarHBondContact CE-OD2 3.27Å; K243-D798 IonicContact NZ-OD2 3.13Å; K243-D798 PolarHBondContact NZ-OD2 3.2Å | ||
| 244 | R | 76.8 | Confident | 78.3 | Confident | 154 Ų | 154 | 62.6 Ų | 62.6 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | trans | -119.9 | 136 | 176.5 | -66.8 | -176.3 | -179.8 | -179.8 | -3.1 | 108.9 | ||||
| 245 | S | 85 | Confident | 79 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | trans | -66.9 | 144.8 | 174.2 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | V247 E248 R249 E357 E358 | S245-V247 VanDerWaalsContact C-N 3.29Å; S245-V247 PolarHBondContact O-N 3.37Å; S245-V247 PolarHBondContact OG-N 3.32Å; S245-E248 WeakPolarHBondContact O-CB 3.47Å; S245-E248 PolarHBondContact O-N 3.13Å; S245-R249 PolarHBondContact O-N 3.13Å; S245-E357 WeakPolarHBondContact CB-OE1 3.49Å; S245-E357 WeakPolarHBondContact OG-CG 3.49Å; S245-E357 PolarHBondContact OG-OE1 2.82Å; S245-E358 VanDerWaalsContact CA-OE1 3.23Å; S245-E358 WeakPolarHBondContact CA-OE1 3.49Å; S245-E358 VanDerWaalsContact CB-OE1 3.3Å; S245-E358 WeakPolarHBondContact CB-OE1 3.17Å; S245-E358 PolarHBondContact OG-OE1 2.56Å | ||
| 246 | T | 86.1 | Confident | 79.6 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.8 | -40.7 | 166 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | E248 R249 Q250 E358 Q361 V762 | T246-E248 VanDerWaalsContact C-N 3.32Å; T246-E248 PolarHBondContact O-N 3.23Å; T246-R249 WeakPolarHBondContact O-CB 3.2Å; T246-R249 PolarHBondContact O-N 3.4Å; T246-Q250 WeakPolarHBondContact O-CG 3.39Å; T246-Q250 PolarHBondContact O-N 3.28Å; T246-E358 WeakPolarHBondContact CA-OE1 3.36Å; T246-E358 WeakPolarHBondContact CB-OE1 3.43Å; T246-E358 PolarHBondContact N-OE1 2.83Å; T246-E358 PolarHBondContact OG1-OE1 3.4Å; T246-Q361 PolarHBondContact OG1-OE1 3.33Å; T246-V762 HydrophobicContact CG2-CG2 4.05Å |
| 247 | V | 87.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | S245 Q250 T251 E357 Y819 L822 I826 F903 | S245-V247 VanDerWaalsContact C-N 3.29Å; S245-V247 PolarHBondContact O-N 3.37Å; S245-V247 PolarHBondContact OG-N 3.32Å; V247-Q250 PolarHBondContact O-N 3.09Å; V247-T251 WeakPolarHBondContact O-CB 3.4Å; V247-T251 PolarHBondContact O-N 2.83Å; V247-T251 PolarHBondContact O-OG1 3.19Å; V247-E357 HydrophobicContact CB-CG 4Å; V247-E357 HydrophobicContact CG2-CB 4.44Å; V247-E357 HydrophobicContact CG2-CG 3.87Å; V247-Y819 HydrophobicContact CG2-CD2 4.07Å; V247-Y819 HydrophobicContact CG2-CE2 3.77Å; V247-L822 HydrophobicContact CG1-CD2 4.44Å; V247-I826 HydrophobicContact CG1-CD1 3.63Å; V247-F903 HydrophobicContact CG1-CD1 4.32Å; V247-F903 HydrophobicContact CG1-CE1 4.04Å |
| 248 | E | 86.4 | Confident | 81.9 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 174.7 | -171.4 | 174.1 | 139.7 | 0 | 0 | 111.7 | S245 T246 Q250 T251 N252 R326 | S245-E248 WeakPolarHBondContact O-CB 3.47Å; S245-E248 PolarHBondContact O-N 3.13Å; T246-E248 VanDerWaalsContact C-N 3.32Å; T246-E248 PolarHBondContact O-N 3.23Å; E248-Q250 PolarHBondContact O-N 2.9Å; E248-T251 PolarHBondContact O-N 2.76Å; E248-N252 PolarHBondContact O-N 3.42Å; E248-N252 PolarHBondContact O-ND2 3.34Å; E248-N252 VanDerWaalsContact O-ND2 3.16Å; E248-R326 IonicContact OE2-CZ 3.27Å; E248-R326 IonicContact OE2-NH1 3.53Å; E248-R326 PolarHBondContact OE2-NH1 3.43Å; E248-R326 IonicContact OE2-NH2 4Å; E248-R326 PolarHBondContact OE2-NH2 2.89Å |
| 249 | R | 85.7 | Confident | 83.3 | Confident | 195 Ų | 195 | 60.6 Ų | 60.6 | 74% | 0.736 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.2 | -45.6 | 175.6 | -170.8 | 179.6 | -177.4 | 173 | 1.8 | 111.3 | S245 T246 N252 T253 | S245-R249 PolarHBondContact O-N 3.13Å; T246-R249 WeakPolarHBondContact O-CB 3.2Å; T246-R249 PolarHBondContact O-N 3.4Å; R249-N252 PolarHBondContact O-N 3.08Å; R249-T253 PolarHBondContact O-N 2.8Å; R249-T253 VanDerWaalsContact O-N 3.16Å; R249-T253 PolarHBondContact O-OG1 2.98Å |
| 250 | Q | 88.1 | Confident | 84.7 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 176.3 | -71.8 | 178.8 | -3.3 | 0 | 0 | 112.2 | T246 V247 E248 N252 T253 Y254 F903 | T246-Q250 WeakPolarHBondContact O-CG 3.39Å; T246-Q250 PolarHBondContact O-N 3.28Å; V247-Q250 PolarHBondContact O-N 3.09Å; E248-Q250 PolarHBondContact O-N 2.9Å; Q250-N252 VanDerWaalsContact C-N 3.32Å; Q250-N252 PolarHBondContact O-N 3.29Å; Q250-T253 WeakPolarHBondContact O-CA 3.02Å; Q250-T253 VanDerWaalsContact O-CB 3.32Å; Q250-T253 WeakPolarHBondContact O-CB 3.21Å; Q250-T253 PolarHBondContact O-N 2.73Å; Q250-T253 VanDerWaalsContact O-N 3.08Å; Q250-Y254 PolarHBondContact O-N 3.11Å; Q250-F903 HydrophobicContact CB-CD1 4.39Å; Q250-F903 HydrophobicContact CB-CE1 3.78Å |
| 251 | T | 89.5 | Confident | 86.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 175 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | V247 E248 T253 Y254 I255 L318 I826 F830 | V247-T251 WeakPolarHBondContact O-CB 3.4Å; V247-T251 PolarHBondContact O-N 2.83Å; V247-T251 PolarHBondContact O-OG1 3.19Å; E248-T251 PolarHBondContact O-N 2.76Å; T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 3.34Å; T251-Y254 PolarHBondContact O-N 2.89Å; T251-Y254 VanDerWaalsContact O-N 3.13Å; T251-I255 HydrophobicContact CG2-CD1 4.16Å; T251-I255 WeakPolarHBondContact O-CG1 3.27Å; T251-I255 PolarHBondContact O-N 3.18Å; T251-L318 HydrophobicContact CG2-CD2 4.09Å; T251-I826 HydrophobicContact CG2-CG2 4.06Å; T251-F830 HydrophobicContact CG2-CE2 4.42Å; T251-F830 HydrophobicContact CG2-CZ 3.99Å |
| 252 | N | 87.2 | Confident | 87.3 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 173.8 | -74.4 | -39.5 | 0 | 0 | 0 | 112.1 | E248 R249 Q250 I255 L256 | E248-N252 PolarHBondContact O-N 3.42Å; E248-N252 PolarHBondContact O-ND2 3.34Å; E248-N252 VanDerWaalsContact O-ND2 3.16Å; R249-N252 PolarHBondContact O-N 3.08Å; Q250-N252 VanDerWaalsContact C-N 3.32Å; Q250-N252 PolarHBondContact O-N 3.29Å; N252-I255 PolarHBondContact O-N 3.39Å; N252-L256 PolarHBondContact O-N 2.6Å |
| 253 | T | 89 | Confident | 88.4 | Confident | 87 Ų | 87 | 51.3 Ų | 51.3 | 53% | 0.534 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 172.4 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | R249 Q250 T251 L256 C257 | R249-T253 PolarHBondContact O-N 2.8Å; R249-T253 VanDerWaalsContact O-N 3.16Å; R249-T253 PolarHBondContact O-OG1 2.98Å; Q250-T253 WeakPolarHBondContact O-CA 3.02Å; Q250-T253 VanDerWaalsContact O-CB 3.32Å; Q250-T253 WeakPolarHBondContact O-CB 3.21Å; Q250-T253 PolarHBondContact O-N 2.73Å; Q250-T253 VanDerWaalsContact O-N 3.08Å; T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 3.34Å; T253-L256 PolarHBondContact O-N 3.44Å; T253-C257 PolarHBondContact O-N 3.23Å |
| 254 | Y | 91.6 | Very high | 89.1 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 176.3 | -61.6 | -27.7 | 0 | 0 | 0 | 113.3 | Q250 T251 L256 C257 L258 F903 P905 F908 | Q250-Y254 PolarHBondContact O-N 3.11Å; T251-Y254 PolarHBondContact O-N 2.89Å; T251-Y254 VanDerWaalsContact O-N 3.13Å; Y254-L256 VanDerWaalsContact C-N 3.29Å; Y254-L256 PolarHBondContact O-N 2.83Å; Y254-C257 WeakPolarHBondContact O-CB 3.23Å; Y254-C257 PolarHBondContact O-N 3.03Å; Y254-L258 PolarHBondContact O-N 2.91Å; Y254-F903 HydrophobicContact CD2-CE1 4.17Å; Y254-F903 HydrophobicContact CD2-CE2 4.23Å; Y254-F903 AromaticContact CD2-CZ 3.63Å; Y254-F903 HydrophobicContact CD2-CZ 3.63Å; Y254-F903 HydrophobicContact CE2-CD1 4.27Å; Y254-F903 AromaticContact CE2-CE1 3.61Å; Y254-F903 HydrophobicContact CE2-CE1 3.61Å; Y254-F903 AromaticContact CE2-CE2 3.89Å; Y254-F903 HydrophobicContact CE2-CE2 3.89Å; Y254-F903 AromaticContact CE2-CZ 3.4Å; Y254-F903 HydrophobicContact CE2-CZ 3.4Å; Y254-P905 HydrophobicContact CE1-CB 4.47Å; Y254-P905 HydrophobicContact CE1-CG 4.4Å; Y254-P905 WeakPolarHBondContact OH-CA 3.23Å; Y254-P905 WeakPolarHBondContact OH-CD 3.35Å; Y254-P905 VanDerWaalsContact OH-N 3.12Å; Y254-F908 HydrophobicContact CD1-CD1 4.02Å; Y254-F908 HydrophobicContact CD1-CD2 4.37Å; Y254-F908 HydrophobicContact CD1-CE1 4.31Å; Y254-F908 HydrophobicContact CD1-CG 4.05Å; Y254-F908 HydrophobicContact CD2-CB 4.46Å; Y254-F908 AromaticContact CD2-CD2 3.95Å; Y254-F908 HydrophobicContact CD2-CD2 3.95Å; Y254-F908 HydrophobicContact CD2-CE2 4.47Å; Y254-F908 HydrophobicContact CD2-CG 4.2Å; Y254-F908 HydrophobicContact CE1-CB 4.27Å; Y254-F908 HydrophobicContact CE1-CD1 4.33Å; Y254-F908 HydrophobicContact CE1-CG 4.25Å; Y254-F908 HydrophobicContact CE2-CB 4.15Å; Y254-F908 HydrophobicContact CE2-CD2 4.46Å; Y254-F908 HydrophobicContact CE2-CG 4.36Å; Y254-F908 HydrophobicContact CG-CD1 4.36Å; Y254-F908 AromaticContact CG-CD2 3.91Å; Y254-F908 HydrophobicContact CG-CD2 3.91Å; Y254-F908 HydrophobicContact CG-CE2 4.1Å; Y254-F908 HydrophobicContact CG-CG 4.05Å; Y254-F908 HydrophobicContact CG-CZ 4.4Å |
| 255 | I | 89.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 170.9 | -70.2 | 168 | 0 | 0 | 0 | 110.2 | T251 N252 C257 L258 F259 I314 F830 | T251-I255 HydrophobicContact CG2-CD1 4.16Å; T251-I255 WeakPolarHBondContact O-CG1 3.27Å; T251-I255 PolarHBondContact O-N 3.18Å; N252-I255 PolarHBondContact O-N 3.39Å; I255-C257 VanDerWaalsContact C-N 3.32Å; I255-C257 PolarHBondContact O-N 3.13Å; I255-L258 PolarHBondContact O-N 3.48Å; I255-F259 WeakPolarHBondContact O-CB 3.34Å; I255-F259 PolarHBondContact O-N 2.93Å; I255-I314 HydrophobicContact CG2-CD1 4.47Å; I255-I314 HydrophobicContact CG2-CG2 4.01Å; I255-F830 HydrophobicContact CG1-CE1 4.02Å; I255-F830 HydrophobicContact CG1-CZ 3.94Å |
| 256 | L | 89.7 | Confident | 90.3 | Very high | 126 Ų | 126 | 49.6 Ų | 49.6 | 66% | 0.66 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64.9 | -36.4 | 176 | -171.6 | 142.5 | 0 | 0 | 0 | 112 | N252 T253 Y254 F259 G260 | N252-L256 PolarHBondContact O-N 2.6Å; T253-L256 PolarHBondContact O-N 3.44Å; Y254-L256 VanDerWaalsContact C-N 3.29Å; Y254-L256 PolarHBondContact O-N 2.83Å; L256-F259 WeakPolarHBondContact O-CB 3.24Å; L256-F259 PolarHBondContact O-N 2.93Å; L256-G260 PolarHBondContact O-N 3.32Å |
| 257 | C | 91.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 28% | 0.277 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | T253 Y254 I255 F259 G260 V261 | T253-C257 PolarHBondContact O-N 3.23Å; Y254-C257 WeakPolarHBondContact O-CB 3.23Å; Y254-C257 PolarHBondContact O-N 3.03Å; I255-C257 VanDerWaalsContact C-N 3.32Å; I255-C257 PolarHBondContact O-N 3.13Å; C257-F259 VanDerWaalsContact C-N 3.31Å; C257-F259 PolarHBondContact O-N 3.48Å; C257-G260 WeakPolarHBondContact O-CA 3.25Å; C257-G260 PolarHBondContact O-N 3.32Å; C257-G260 VanDerWaalsContact O-N 3.08Å; C257-V261 PolarHBondContact O-N 3.45Å |
| 258 | L | 91.4 | Very high | 91 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 175.2 | -72.5 | 177.8 | 0 | 0 | 0 | 112.7 | Y254 I255 G260 V261 L262 I313 I314 F830 V834 F908 I912 | Y254-L258 PolarHBondContact O-N 2.91Å; I255-L258 PolarHBondContact O-N 3.48Å; L258-G260 VanDerWaalsContact C-N 3.31Å; L258-V261 PolarHBondContact O-N 3.05Å; L258-L262 WeakPolarHBondContact O-CB 3.34Å; L258-L262 PolarHBondContact O-N 3.45Å; L258-I313 HydrophobicContact CB-CG2 4.48Å; L258-I313 HydrophobicContact CD2-CG2 4.32Å; L258-I314 HydrophobicContact CB-CG1 4.37Å; L258-F830 HydrophobicContact CD1-CB 4.4Å; L258-F830 HydrophobicContact CD1-CD1 3.28Å; L258-F830 HydrophobicContact CD1-CE1 3.59Å; L258-F830 HydrophobicContact CD1-CG 3.93Å; L258-F830 HydrophobicContact CD1-CZ 4.43Å; L258-V834 HydrophobicContact CD2-CG2 4.11Å; L258-F908 HydrophobicContact CD2-CZ 4.26Å; L258-F908 HydrophobicContact CG-CZ 4.17Å; L258-I912 HydrophobicContact CD2-CD1 3.93Å |
| 259 | F | 91.6 | Very high | 91.3 | Very high | 76 Ų | 76 | 56.2 Ų | 56.2 | 33% | 0.333 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 171.2 | -177.7 | -102.9 | 0 | 0 | 0 | 111.5 | F37 I255 L256 C257 L262 L263 I314 | F37-F259 HydrophobicContact CD2-CD2 4.02Å; F37-F259 AromaticContact CD2-CE2 3.73Å; F37-F259 HydrophobicContact CD2-CE2 3.73Å; F37-F259 AromaticContact CE2-CD2 3.97Å; F37-F259 HydrophobicContact CE2-CD2 3.97Å; F37-F259 AromaticContact CE2-CE2 3.72Å; F37-F259 HydrophobicContact CE2-CE2 3.72Å; I255-F259 WeakPolarHBondContact O-CB 3.34Å; I255-F259 PolarHBondContact O-N 2.93Å; L256-F259 WeakPolarHBondContact O-CB 3.24Å; L256-F259 PolarHBondContact O-N 2.93Å; C257-F259 VanDerWaalsContact C-N 3.31Å; C257-F259 PolarHBondContact O-N 3.48Å; F259-L262 HydrophobicContact CD2-CD2 4.09Å; F259-L262 HydrophobicContact CE2-CD2 4.43Å; F259-L262 WeakPolarHBondContact O-CB 3.4Å; F259-L262 PolarHBondContact O-N 2.92Å; F259-L263 HydrophobicContact CD1-CD1 4.06Å; F259-L263 HydrophobicContact CD1-CG 4.45Å; F259-L263 HydrophobicContact CE1-CD1 3.52Å; F259-L263 HydrophobicContact CE1-CG 4.06Å; F259-L263 HydrophobicContact CZ-CD1 3.95Å; F259-L263 HydrophobicContact CZ-CD2 4.23Å; F259-L263 HydrophobicContact CZ-CG 4.12Å; F259-L263 WeakPolarHBondContact O-CG 3.34Å; F259-L263 PolarHBondContact O-N 2.87Å; F259-I314 HydrophobicContact CB-CD1 3.95Å; F259-I314 HydrophobicContact CD2-CD1 4.04Å |
| 260 | G | 92.5 | Very high | 91.6 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | L256 C257 L258 L263 F264 | L256-G260 PolarHBondContact O-N 3.32Å; C257-G260 WeakPolarHBondContact O-CA 3.25Å; C257-G260 PolarHBondContact O-N 3.32Å; C257-G260 VanDerWaalsContact O-N 3.08Å; L258-G260 VanDerWaalsContact C-N 3.31Å; G260-L263 PolarHBondContact O-N 2.87Å; G260-F264 PolarHBondContact O-N 2.86Å |
| 261 | V | 91.3 | Very high | 91.9 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | C257 L258 L263 F264 L265 | C257-V261 PolarHBondContact O-N 3.45Å; L258-V261 PolarHBondContact O-N 3.05Å; V261-L263 PolarHBondContact O-N 2.91Å; V261-F264 PolarHBondContact O-N 3.09Å; V261-L265 HydrophobicContact CG1-CD1 4.05Å; V261-L265 HydrophobicContact CG1-CG 4.32Å; V261-L265 WeakPolarHBondContact O-CG 3.31Å; V261-L265 PolarHBondContact O-N 3.08Å |
| 262 | L | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.9 | -49.6 | 174.8 | 166.8 | 64.3 | 0 | 0 | 0 | 111.4 | F37 L258 F259 L265 T266 L307 Y310 I314 | F37-L262 HydrophobicContact CE1-CD2 4.5Å; F37-L262 HydrophobicContact CE2-CD2 3.71Å; F37-L262 HydrophobicContact CZ-CD2 3.44Å; F37-L262 VanDerWaalsContact CZ-CD2 3.44Å; L258-L262 WeakPolarHBondContact O-CB 3.34Å; L258-L262 PolarHBondContact O-N 3.45Å; F259-L262 HydrophobicContact CD2-CD2 4.09Å; F259-L262 HydrophobicContact CE2-CD2 4.43Å; F259-L262 WeakPolarHBondContact O-CB 3.4Å; F259-L262 PolarHBondContact O-N 2.92Å; L262-L265 PolarHBondContact O-N 2.91Å; L262-T266 WeakPolarHBondContact O-CB 3.46Å; L262-T266 PolarHBondContact O-N 3.37Å; L262-T266 PolarHBondContact O-OG1 2.91Å; L262-L307 HydrophobicContact CD2-CD1 4.36Å; L262-L307 HydrophobicContact CG-CD1 4.31Å; L262-Y310 VanDerWaalsContact CD1-C 3.41Å; L262-Y310 VanDerWaalsContact CD1-O 3.28Å; L262-Y310 WeakPolarHBondContact CD1-O 3.28Å; L262-I314 HydrophobicContact CD2-CD1 4.36Å |
| 263 | L | 93.3 | Very high | 92.1 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 177.6 | -72 | -179.7 | 0 | 0 | 0 | 111.1 | F259 G260 V261 L265 T266 F267 L307 | F259-L263 HydrophobicContact CD1-CD1 4.06Å; F259-L263 HydrophobicContact CD1-CG 4.45Å; F259-L263 HydrophobicContact CE1-CD1 3.52Å; F259-L263 HydrophobicContact CE1-CG 4.06Å; F259-L263 HydrophobicContact CZ-CD1 3.95Å; F259-L263 HydrophobicContact CZ-CD2 4.23Å; F259-L263 HydrophobicContact CZ-CG 4.12Å; F259-L263 WeakPolarHBondContact O-CG 3.34Å; F259-L263 PolarHBondContact O-N 2.87Å; G260-L263 PolarHBondContact O-N 2.87Å; V261-L263 PolarHBondContact O-N 2.91Å; L263-L265 PolarHBondContact O-N 3.23Å; L263-T266 WeakPolarHBondContact O-CB 3.33Å; L263-T266 PolarHBondContact O-N 2.83Å; L263-F267 HydrophobicContact CB-CD2 4.37Å; L263-F267 HydrophobicContact CB-CE2 4.39Å; L263-F267 WeakPolarHBondContact O-CD2 3.22Å; L263-F267 PolarHBondContact O-N 3.22Å; L263-L307 HydrophobicContact CD2-CD1 4.39Å |
| 264 | F | 94.2 | Very high | 92.1 | Very high | 131 Ų | 131 | 47.7 Ų | 47.7 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -56.8 | -49.4 | 176.5 | 171.4 | -97.9 | 0 | 0 | 0 | 112.1 | G260 V261 T266 F267 F268 | G260-F264 PolarHBondContact O-N 2.86Å; V261-F264 PolarHBondContact O-N 3.09Å; F264-T266 VanDerWaalsContact C-N 3.31Å; F264-T266 PolarHBondContact O-N 2.91Å; F264-F267 PolarHBondContact O-N 2.82Å; F264-F268 VanDerWaalsContact O-CB 3.29Å; F264-F268 WeakPolarHBondContact O-CB 3.49Å; F264-F268 PolarHBondContact O-N 2.91Å |
| 265 | L | 93.2 | Very high | 92 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.9 | -68.6 | 174.9 | 0 | 0 | 0 | 111.4 | V261 L262 L263 F268 T269 Y310 I313 L838 F841 | V261-L265 HydrophobicContact CG1-CD1 4.05Å; V261-L265 HydrophobicContact CG1-CG 4.32Å; V261-L265 WeakPolarHBondContact O-CG 3.31Å; V261-L265 PolarHBondContact O-N 3.08Å; L262-L265 PolarHBondContact O-N 2.91Å; L263-L265 PolarHBondContact O-N 3.23Å; L265-F268 PolarHBondContact O-N 2.86Å; L265-T269 WeakPolarHBondContact O-CG2 3.34Å; L265-T269 PolarHBondContact O-N 3.38Å; L265-T269 PolarHBondContact O-OG1 3.08Å; L265-T269 VanDerWaalsContact O-OG1 3.05Å; L265-Y310 HydrophobicContact CB-CD2 4.13Å; L265-Y310 HydrophobicContact CB-CE2 4.3Å; L265-I313 HydrophobicContact CD1-CD1 3.51Å; L265-L838 HydrophobicContact CD1-CD1 4.08Å; L265-L838 HydrophobicContact CD2-CD1 4.44Å; L265-F841 HydrophobicContact CD2-CD2 3.79Å; L265-F841 HydrophobicContact CD2-CE2 3.77Å; L265-F841 HydrophobicContact CD2-CG 4.18Å; L265-F841 HydrophobicContact CD2-CZ 4.17Å |
| 266 | T | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | L262 L263 F264 T269 F270 F303 C306 L307 | L262-T266 WeakPolarHBondContact O-CB 3.46Å; L262-T266 PolarHBondContact O-N 3.37Å; L262-T266 PolarHBondContact O-OG1 2.91Å; L263-T266 WeakPolarHBondContact O-CB 3.33Å; L263-T266 PolarHBondContact O-N 2.83Å; F264-T266 VanDerWaalsContact C-N 3.31Å; F264-T266 PolarHBondContact O-N 2.91Å; T266-T269 PolarHBondContact O-OG1 3.41Å; T266-F270 WeakPolarHBondContact O-CB 3.29Å; T266-F270 PolarHBondContact O-N 3.06Å; T266-F303 HydrophobicContact CG2-CD2 4.01Å; T266-F303 HydrophobicContact CG2-CE2 3.65Å; T266-F303 HydrophobicContact CG2-CZ 3.94Å; T266-C306 HydrophobicContact CG2-CB 3.87Å; T266-L307 HydrophobicContact CG2-CB 3.9Å; T266-L307 HydrophobicContact CG2-CD1 4.3Å |
| 267 | F | 94.2 | Very high | 91.8 | Very high | 104 Ų | 104 | 50.1 Ų | 50.1 | 46% | 0.456 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.1 | -81.7 | -67.1 | 0 | 0 | 0 | 111.5 | L263 F264 F270 I271 F303 | L263-F267 HydrophobicContact CB-CD2 4.37Å; L263-F267 HydrophobicContact CB-CE2 4.39Å; L263-F267 WeakPolarHBondContact O-CD2 3.22Å; L263-F267 PolarHBondContact O-N 3.22Å; F264-F267 PolarHBondContact O-N 2.82Å; F267-F270 PolarHBondContact O-N 3.28Å; F267-I271 WeakPolarHBondContact O-CB 3.35Å; F267-I271 VanDerWaalsContact O-CG1 3.25Å; F267-I271 WeakPolarHBondContact O-CG1 3.3Å; F267-I271 PolarHBondContact O-N 3.32Å; F267-F303 AromaticContact CD1-CE2 3.76Å; F267-F303 HydrophobicContact CD1-CE2 3.76Å; F267-F303 AromaticContact CE1-CE2 3.63Å; F267-F303 HydrophobicContact CE1-CE2 3.63Å; F267-F303 HydrophobicContact CE1-CZ 4.09Å; F267-F303 HydrophobicContact CG-CE2 4.26Å; F267-F303 HydrophobicContact CZ-CE2 4.02Å; F267-F303 HydrophobicContact CZ-CZ 4.04Å |
| 268 | F | 94.5 | Very high | 91.4 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 178.4 | -179 | -86.7 | 0 | 0 | 0 | 111.4 | F264 L265 F270 I271 A272 F841 F849 | F264-F268 VanDerWaalsContact O-CB 3.29Å; F264-F268 WeakPolarHBondContact O-CB 3.49Å; F264-F268 PolarHBondContact O-N 2.91Å; L265-F268 PolarHBondContact O-N 2.86Å; F268-F270 VanDerWaalsContact C-N 3.33Å; F268-F270 PolarHBondContact O-N 3.27Å; F268-I271 PolarHBondContact O-N 3.38Å; F268-A272 VanDerWaalsContact O-CB 3.23Å; F268-A272 WeakPolarHBondContact O-CB 3.49Å; F268-A272 PolarHBondContact O-N 3.01Å; F268-F841 AromaticContact CD1-CE2 3.69Å; F268-F841 HydrophobicContact CD1-CE2 3.69Å; F268-F841 AromaticContact CD1-CZ 3.92Å; F268-F841 HydrophobicContact CD1-CZ 3.92Å; F268-F841 HydrophobicContact CE1-CE2 4.06Å; F268-F841 AromaticContact CE1-CZ 3.89Å; F268-F841 HydrophobicContact CE1-CZ 3.89Å; F268-F849 HydrophobicContact CE1-CE1 4.14Å; F268-F849 HydrophobicContact CE1-CZ 4.38Å |
| 269 | T | 92.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 180 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | L265 T266 A272 N273 C306 Y310 F841 F849 | L265-T269 WeakPolarHBondContact O-CG2 3.34Å; L265-T269 PolarHBondContact O-N 3.38Å; L265-T269 PolarHBondContact O-OG1 3.08Å; L265-T269 VanDerWaalsContact O-OG1 3.05Å; T266-T269 PolarHBondContact O-OG1 3.41Å; T269-A272 PolarHBondContact O-N 3.16Å; T269-N273 VanDerWaalsContact O-CB 3.23Å; T269-N273 WeakPolarHBondContact O-CB 3.37Å; T269-N273 PolarHBondContact O-N 2.9Å; T269-C306 PolarHBondContact OG1-SG 3.16Å; T269-C306 VanDerWaalsContact OG1-SG 3.41Å; T269-Y310 HydrophobicContact CG2-CE2 3.72Å; T269-Y310 WeakPolarHBondContact CG2-OH 3.32Å; T269-F841 HydrophobicContact CG2-CD2 3.75Å; T269-F841 HydrophobicContact CG2-CE2 3.79Å; T269-F849 HydrophobicContact CG2-CD1 3.86Å; T269-F849 HydrophobicContact CG2-CE1 4.3Å |
| 270 | F | 92.7 | Very high | 90.9 | Very high | 35 Ų | 35 | 58.2 Ų | 58.2 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 174.6 | 174.5 | -113.1 | 0 | 0 | 0 | 111.8 | T266 F267 F268 A272 N273 L274 R299 D302 F303 | T266-F270 WeakPolarHBondContact O-CB 3.29Å; T266-F270 PolarHBondContact O-N 3.06Å; F267-F270 PolarHBondContact O-N 3.28Å; F268-F270 VanDerWaalsContact C-N 3.33Å; F268-F270 PolarHBondContact O-N 3.27Å; F270-A272 VanDerWaalsContact C-N 3.34Å; F270-A272 PolarHBondContact O-N 3.12Å; F270-N273 WeakPolarHBondContact O-CB 3.44Å; F270-N273 PolarHBondContact O-N 3.02Å; F270-L274 HydrophobicContact CD1-CD1 4.26Å; F270-L274 HydrophobicContact CE1-CD1 3.66Å; F270-L274 HydrophobicContact CE1-CG 4.46Å; F270-L274 HydrophobicContact CE2-CD1 4.16Å; F270-L274 HydrophobicContact CE2-CD2 4.27Å; F270-L274 HydrophobicContact CE2-CG 4.14Å; F270-L274 HydrophobicContact CZ-CD1 3.62Å; F270-L274 HydrophobicContact CZ-CD2 4.32Å; F270-L274 HydrophobicContact CZ-CG 4.1Å; F270-L274 WeakPolarHBondContact O-CG 3.38Å; F270-L274 PolarHBondContact O-N 3.15Å; F270-R299 HydrophobicContact CE2-CB 4.38Å; F270-R299 WeakPolarHBondContact CE2-O 3.4Å; F270-R299 HydrophobicContact CZ-CB 4.28Å; F270-D302 HydrophobicContact CE2-CB 4.46Å; F270-F303 HydrophobicContact CB-CD2 4.01Å; F270-F303 HydrophobicContact CD1-CD2 4.01Å; F270-F303 HydrophobicContact CD2-CB 3.78Å; F270-F303 HydrophobicContact CD2-CD2 4.44Å; F270-F303 HydrophobicContact CE2-CB 3.98Å; F270-F303 HydrophobicContact CG-CB 4.09Å; F270-F303 AromaticContact CG-CD2 3.89Å; F270-F303 HydrophobicContact CG-CD2 3.89Å; F270-F303 HydrophobicContact CZ-CB 4.42Å |
| 271 | I | 92.6 | Very high | 90 | Very high | 99 Ų | 99 | 61.6 Ų | 61.6 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 177 | -67.5 | 166.6 | 0 | 0 | 0 | 110.4 | F267 F268 N273 L274 V275 | F267-I271 WeakPolarHBondContact O-CB 3.35Å; F267-I271 VanDerWaalsContact O-CG1 3.25Å; F267-I271 WeakPolarHBondContact O-CG1 3.3Å; F267-I271 PolarHBondContact O-N 3.32Å; F268-I271 PolarHBondContact O-N 3.38Å; I271-N273 VanDerWaalsContact C-N 3.33Å; I271-N273 PolarHBondContact O-N 3.17Å; I271-L274 PolarHBondContact O-N 3.08Å; I271-V275 HydrophobicContact CG2-CG2 4.47Å; I271-V275 WeakPolarHBondContact O-CG2 3.18Å; I271-V275 PolarHBondContact O-N 3.46Å |
| 272 | A | 92.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F268 T269 F270 V275 W276 F849 | F268-A272 VanDerWaalsContact O-CB 3.23Å; F268-A272 WeakPolarHBondContact O-CB 3.49Å; F268-A272 PolarHBondContact O-N 3.01Å; T269-A272 PolarHBondContact O-N 3.16Å; F270-A272 VanDerWaalsContact C-N 3.34Å; F270-A272 PolarHBondContact O-N 3.12Å; A272-V275 PolarHBondContact O-N 2.99Å; A272-W276 WeakPolarHBondContact O-CB 3.15Å; A272-W276 PolarHBondContact O-N 2.84Å; A272-F849 HydrophobicContact CB-CD1 3.85Å; A272-F849 HydrophobicContact CB-CD2 3.53Å; A272-F849 HydrophobicContact CB-CE1 3.82Å; A272-F849 HydrophobicContact CB-CE2 3.51Å; A272-F849 HydrophobicContact CB-CG 3.7Å; A272-F849 HydrophobicContact CB-CZ 3.65Å |
| 273 | N | 89.6 | Confident | 88.6 | Confident | 13 Ų | 13 | 75.8 Ų | 75.8 | 7% | 0.07 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 172.5 | -175.7 | 21.6 | 0 | 0 | 0 | 111.5 | T269 F270 I271 V275 W276 T277 F849 | T269-N273 VanDerWaalsContact O-CB 3.23Å; T269-N273 WeakPolarHBondContact O-CB 3.37Å; T269-N273 PolarHBondContact O-N 2.9Å; F270-N273 WeakPolarHBondContact O-CB 3.44Å; F270-N273 PolarHBondContact O-N 3.02Å; I271-N273 VanDerWaalsContact C-N 3.33Å; I271-N273 PolarHBondContact O-N 3.17Å; N273-V275 PolarHBondContact O-N 2.95Å; N273-W276 PolarHBondContact O-N 3.35Å; N273-T277 WeakPolarHBondContact O-CB 3.23Å; N273-T277 PolarHBondContact O-N 2.91Å; N273-T277 PolarHBondContact O-OG1 3.39Å; N273-T277 PolarHBondContact OD1-OG1 2.9Å; N273-T277 VanDerWaalsContact OD1-OG1 3.13Å; N273-F849 HydrophobicContact CB-CB 3.73Å |
| 274 | L | 88.5 | Confident | 87.8 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 176.5 | -70.2 | 176.9 | 0 | 0 | 0 | 111.8 | F270 I271 S278 R299 | F270-L274 HydrophobicContact CD1-CD1 4.26Å; F270-L274 HydrophobicContact CE1-CD1 3.66Å; F270-L274 HydrophobicContact CE1-CG 4.46Å; F270-L274 HydrophobicContact CE2-CD1 4.16Å; F270-L274 HydrophobicContact CE2-CD2 4.27Å; F270-L274 HydrophobicContact CE2-CG 4.14Å; F270-L274 HydrophobicContact CZ-CD1 3.62Å; F270-L274 HydrophobicContact CZ-CD2 4.32Å; F270-L274 HydrophobicContact CZ-CG 4.1Å; F270-L274 WeakPolarHBondContact O-CG 3.38Å; F270-L274 PolarHBondContact O-N 3.15Å; I271-L274 PolarHBondContact O-N 3.08Å; L274-S278 WeakPolarHBondContact O-CB 3.48Å; L274-S278 PolarHBondContact O-N 3.1Å; L274-R299 HydrophobicContact CD2-CG 4.11Å |
| 275 | V | 90.5 | Very high | 87.2 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -48.7 | 178.9 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | I271 A272 N273 T277 S278 W279 | I271-V275 HydrophobicContact CG2-CG2 4.47Å; I271-V275 WeakPolarHBondContact O-CG2 3.18Å; I271-V275 PolarHBondContact O-N 3.46Å; A272-V275 PolarHBondContact O-N 2.99Å; N273-V275 PolarHBondContact O-N 2.95Å; V275-T277 PolarHBondContact O-N 3.43Å; V275-S278 PolarHBondContact O-N 3.27Å; V275-S278 PolarHBondContact O-OG 2.97Å; V275-W279 HydrophobicContact CG1-CD2 3.92Å; V275-W279 HydrophobicContact CG1-CE3 4.11Å; V275-W279 HydrophobicContact CG1-CH2 3.81Å; V275-W279 HydrophobicContact CG1-CZ2 3.58Å; V275-W279 HydrophobicContact CG1-CZ3 4.05Å; V275-W279 PolarHBondContact O-N 3.01Å |
| 276 | W | 89.1 | Confident | 86.7 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | -179.6 | -174.6 | -95.8 | 0 | 0 | 0 | 112.5 | A272 N273 S278 W279 N280 | A272-W276 WeakPolarHBondContact O-CB 3.15Å; A272-W276 PolarHBondContact O-N 2.84Å; N273-W276 PolarHBondContact O-N 3.35Å; W276-S278 VanDerWaalsContact C-N 3.33Å; W276-S278 PolarHBondContact O-N 2.82Å; W276-W279 PolarHBondContact O-N 3.26Å; W276-N280 VanDerWaalsContact CZ2-ND2 3.32Å; W276-N280 WeakPolarHBondContact CZ2-ND2 3.41Å; W276-N280 PolarHBondContact NE1-ND2 3.3Å; W276-N280 WeakPolarHBondContact O-CB 3.42Å; W276-N280 PolarHBondContact O-N 2.97Å |
| 277 | T | 84.2 | Confident | 85.9 | Confident | 46 Ų | 46 | 91.2 Ų | 91.2 | 28% | 0.282 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | N273 V275 W279 N280 E281 M284 | N273-T277 WeakPolarHBondContact O-CB 3.23Å; N273-T277 PolarHBondContact O-N 2.91Å; N273-T277 PolarHBondContact O-OG1 3.39Å; N273-T277 PolarHBondContact OD1-OG1 2.9Å; N273-T277 VanDerWaalsContact OD1-OG1 3.13Å; V275-T277 PolarHBondContact O-N 3.43Å; T277-W279 VanDerWaalsContact C-N 3.32Å; T277-W279 PolarHBondContact O-N 2.93Å; T277-N280 PolarHBondContact O-N 2.79Å; T277-E281 WeakPolarHBondContact O-CA 3.44Å; T277-E281 WeakPolarHBondContact O-CB 3.43Å; T277-E281 PolarHBondContact O-N 2.82Å; T277-M284 HydrophobicContact CG2-SD 4.5Å |
| 278 | S | 83.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 93.9 Ų | 93.9 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.9 | -34.7 | 177 | 78.3 | 0 | 0 | 0 | 0 | 113.4 | L274 V275 W276 | L274-S278 WeakPolarHBondContact O-CB 3.48Å; L274-S278 PolarHBondContact O-N 3.1Å; V275-S278 PolarHBondContact O-N 3.27Å; V275-S278 PolarHBondContact O-OG 2.97Å; W276-S278 VanDerWaalsContact C-N 3.33Å; W276-S278 PolarHBondContact O-N 2.82Å |
| 279 | W | 87.5 | Confident | 82.4 | Confident | 193 Ų | 193 | 98.7 Ų | 98.7 | 73% | 0.731 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -80.7 | -31.1 | -179.6 | -69.7 | -6.8 | 0 | 0 | 0 | 113.3 | V275 W276 T277 | V275-W279 HydrophobicContact CG1-CD2 3.92Å; V275-W279 HydrophobicContact CG1-CE3 4.11Å; V275-W279 HydrophobicContact CG1-CH2 3.81Å; V275-W279 HydrophobicContact CG1-CZ2 3.58Å; V275-W279 HydrophobicContact CG1-CZ3 4.05Å; V275-W279 PolarHBondContact O-N 3.01Å; W276-W279 PolarHBondContact O-N 3.26Å; T277-W279 VanDerWaalsContact C-N 3.32Å; T277-W279 PolarHBondContact O-N 2.93Å |
| 280 | N | 84.3 | Confident | 80.2 | Confident | 27 Ų | 27 | 105 Ų | 105 | 14% | 0.144 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -108.7 | 5.9 | -174 | -71.4 | -45.6 | 0 | 0 | 0 | 114 | W276 T277 K282 K283 M284 | W276-N280 VanDerWaalsContact CZ2-ND2 3.32Å; W276-N280 WeakPolarHBondContact CZ2-ND2 3.41Å; W276-N280 PolarHBondContact NE1-ND2 3.3Å; W276-N280 WeakPolarHBondContact O-CB 3.42Å; W276-N280 PolarHBondContact O-N 2.97Å; T277-N280 PolarHBondContact O-N 2.79Å; N280-K282 PolarHBondContact O-N 3.07Å; N280-K282 VanDerWaalsContact O-N 3.11Å; N280-K283 WeakPolarHBondContact O-CA 3.26Å; N280-K283 WeakPolarHBondContact O-CB 3.15Å; N280-K283 PolarHBondContact O-N 3.15Å; N280-M284 HydrophobicContact CB-CE 3.63Å; N280-M284 WeakPolarHBondContact O-CG 3.26Å; N280-M284 PolarHBondContact O-N 3.28Å |
| 281 | E | 75 | Confident | 78.4 | Confident | 108 Ų | 108 | 108.3 Ų | 108.3 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -44.9 | -47.6 | -179.1 | -167.3 | 176 | -168.9 | 0 | 0 | 112.2 | T277 K283 M284 | T277-E281 WeakPolarHBondContact O-CA 3.44Å; T277-E281 WeakPolarHBondContact O-CB 3.43Å; T277-E281 PolarHBondContact O-N 2.82Å; E281-K283 VanDerWaalsContact C-N 3.26Å; E281-K283 PolarHBondContact O-N 2.95Å; E281-M284 PolarHBondContact O-N 3.35Å |
| 282 | K | 75 | Confident | 76.6 | Confident | 208 Ų | 208 | 109.4 Ų | 109.4 | 90% | 0.904 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -65.9 | -21.3 | 179.2 | -64 | -175.8 | -179.9 | -179.5 | 0 | 114.8 | N280 | N280-K282 PolarHBondContact O-N 3.07Å; N280-K282 VanDerWaalsContact O-N 3.11Å |
| 283 | K | 79.2 | Confident | 74.8 | Confident | 152 Ų | 152 | 113.2 Ų | 113.2 | 66% | 0.661 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -90 | -9.8 | -179.9 | -64.3 | -179.1 | -176.3 | 167.4 | 0 | 112.7 | N280 E281 W285 | N280-K283 WeakPolarHBondContact O-CA 3.26Å; N280-K283 WeakPolarHBondContact O-CB 3.15Å; N280-K283 PolarHBondContact O-N 3.15Å; E281-K283 VanDerWaalsContact C-N 3.26Å; E281-K283 PolarHBondContact O-N 2.95Å; K283-W285 VanDerWaalsContact C-N 3.34Å; K283-W285 PolarHBondContact O-N 2.85Å |
| 284 | M | 77.2 | Confident | 73.2 | Confident | 40 Ų | 40 | 121.9 Ų | 121.9 | 20% | 0.197 | 57% | 0.571 | C | S | . | * | trans | -92.6 | 29.8 | -171.9 | -65.2 | -175.8 | -166.3 | 0 | 0 | 114 | T277 N280 E281 Y286 L287 | T277-M284 HydrophobicContact CG2-SD 4.5Å; N280-M284 HydrophobicContact CB-CE 3.63Å; N280-M284 WeakPolarHBondContact O-CG 3.26Å; N280-M284 PolarHBondContact O-N 3.28Å; E281-M284 PolarHBondContact O-N 3.35Å; M284-Y286 PolarHBondContact O-N 2.9Å; M284-L287 HydrophobicContact CB-CD1 4.21Å; M284-L287 HydrophobicContact CG-CD1 4.31Å; M284-L287 PolarHBondContact O-N 2.93Å; M284-L287 HydrophobicContact SD-CD1 4.21Å | ||
| 285 | W | 80.9 | Confident | 72.3 | Confident | 222 Ų | 222 | 120.5 Ų | 120.5 | 84% | 0.841 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -24.1 | -174.7 | 70.8 | -91.1 | 0 | 0 | 0 | 114.8 | K283 | K283-W285 VanDerWaalsContact C-N 3.34Å; K283-W285 PolarHBondContact O-N 2.85Å |
| 286 | Y | 82.2 | Confident | 71.7 | Confident | 152 Ų | 152 | 123.5 Ų | 123.5 | 60% | 0.596 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -18.3 | 179.4 | 63.1 | -88.1 | 0 | 0 | 0 | 113.4 | M284 Q288 | M284-Y286 PolarHBondContact O-N 2.9Å; Y286-Q288 PolarHBondContact O-N 3.03Å |
| 287 | L | 76.8 | Confident | 71.3 | Confident | 105 Ų | 105 | 123.8 Ų | 123.8 | 55% | 0.55 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -88.5 | 85.7 | 170.6 | -62.6 | 169.4 | 0 | 0 | 0 | 105.9 | M284 E289 | M284-L287 HydrophobicContact CB-CD1 4.21Å; M284-L287 HydrophobicContact CG-CD1 4.31Å; M284-L287 PolarHBondContact O-N 2.93Å; M284-L287 HydrophobicContact SD-CD1 4.21Å; L287-E289 PolarHBondContact O-N 2.99Å |
| 288 | Q | 59.6 | Low | 71 | Confident | 160 Ų | 160 | 127.1 Ų | 127.1 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | trans | -32.9 | 130.4 | -174.7 | -74.2 | 175.8 | -27.4 | 0 | 0 | 113.5 | Y286 N290 | Y286-Q288 PolarHBondContact O-N 3.03Å; Q288-N290 PolarHBondContact O-N 2.7Å | ||
| 289 | E | 55.5 | Low | 71 | Confident | 194 Ų | 194 | 128.2 Ų | 128.2 | 91% | 0.907 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -59.7 | 8.5 | 177.4 | -86.2 | -179.9 | 152.4 | 0 | 0 | 115.5 | L287 | L287-E289 PolarHBondContact O-N 2.99Š|
| 290 | N | 48.4 | Very low | 70.9 | Confident | 134 Ų | 134 | 123.6 Ų | 123.6 | 72% | 0.717 | 58% | 0.579 | S | S | * | * | trans | -89.8 | 116.5 | -178.8 | -74.4 | -30.9 | 0 | 0 | 0 | 110.4 | Q288 | Q288-N290 PolarHBondContact O-N 2.7Š| ||
| 291 | V | 54.2 | Low | 71.1 | Confident | 106 Ų | 106 | 124.3 Ų | 124.3 | 64% | 0.642 | 58% | 0.583 | S | S | * | * | S | Bend | trans | 106.2 | 90.2 | 174.4 | -171.5 | 0 | 0 | 0 | 0 | 113.4 | T293 | V291-T293 PolarHBondContact O-N 3.48Š|
| 292 | D | 54.3 | Low | 71.6 | Confident | 122 Ų | 122 | 121 Ų | 121 | 65% | 0.652 | 57% | 0.568 | S | S | * | * | trans | 10.9 | 74.3 | 162.5 | -67 | -29.8 | 0 | 0 | 0 | 116.4 | R294 S295 | D292-R294 PolarHBondContact O-N 3.29Å; D292-S295 WeakPolarHBondContact O-CB 3.44Å; D292-S295 PolarHBondContact O-N 3.05Å; D292-S295 PolarHBondContact O-OG 2.82Å | ||
| 293 | T | 54.2 | Low | 72.3 | Confident | 97 Ų | 97 | 113 Ų | 113 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15 | 170.3 | 10.5 | 0 | 0 | 0 | 0 | 112.6 | V291 | V291-T293 PolarHBondContact O-N 3.48Š|
| 294 | R | 55.9 | Low | 72.9 | Confident | 195 Ų | 195 | 106.7 Ų | 106.7 | 74% | 0.736 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -7.1 | 174.2 | -69.2 | -175.5 | -178.6 | 175.5 | 2.1 | 114.8 | D292 D296 | D292-R294 PolarHBondContact O-N 3.29Å; R294-D296 PolarHBondContact O-N 3.09Å |
| 295 | S | 70.5 | Confident | 73.6 | Confident | 33 Ų | 33 | 105.7 Ų | 105.7 | 23% | 0.231 | 50% | 0.503 | C | S | . | . | trans | -65.3 | 128.9 | 178.9 | 62.4 | 0 | 0 | 0 | 0 | 110.2 | D292 L297 R298 R299 | D292-S295 WeakPolarHBondContact O-CB 3.44Å; D292-S295 PolarHBondContact O-N 3.05Å; D292-S295 PolarHBondContact O-OG 2.82Å; S295-L297 PolarHBondContact O-N 3.24Å; S295-L297 VanDerWaalsContact O-N 3.16Å; S295-R298 PolarHBondContact O-N 2.88Å; S295-R298 WeakPolarHBondContact OG-CB 3.44Å; S295-R298 PolarHBondContact OG-N 3.02Å; S295-R299 PolarHBondContact O-N 2.85Å | ||
| 296 | D | 78 | Confident | 74.1 | Confident | 120 Ų | 120 | 95.3 Ų | 95.3 | 64% | 0.642 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.7 | -26.4 | 174.9 | -67 | -33.5 | 0 | 0 | 0 | 111.5 | R294 R299 L300 | R294-D296 PolarHBondContact O-N 3.09Å; D296-R299 PolarHBondContact O-N 3.45Å; D296-R299 IonicContact OD1-NH1 2.79Å; D296-R299 PolarHBondContact OD1-NH1 3.46Å; D296-L300 PolarHBondContact O-N 3.23Å |
| 297 | L | 80.1 | Confident | 74.5 | Confident | 114 Ų | 114 | 89.2 Ų | 89.2 | 60% | 0.597 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.1 | -47 | 172.4 | -172.5 | 67.7 | 0 | 0 | 0 | 111.8 | S295 R299 L300 L301 | S295-L297 PolarHBondContact O-N 3.24Å; S295-L297 VanDerWaalsContact O-N 3.16Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-R299 PolarHBondContact O-N 3.45Å; L297-L300 WeakPolarHBondContact O-CB 3.33Å; L297-L300 PolarHBondContact O-N 2.66Å; L297-L301 HydrophobicContact CG-CD1 4.31Å; L297-L301 VanDerWaalsContact O-CG 3.28Å; L297-L301 WeakPolarHBondContact O-CG 3.34Å; L297-L301 PolarHBondContact O-N 2.7Å |
| 298 | R | 79.6 | Confident | 75.2 | Confident | 116 Ų | 116 | 84.2 Ų | 84.2 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 180 | -177.8 | 55.8 | 178.9 | -97.9 | 2.4 | 111.8 | S295 L300 L301 D302 | S295-R298 PolarHBondContact O-N 2.88Å; S295-R298 WeakPolarHBondContact OG-CB 3.44Å; S295-R298 PolarHBondContact OG-N 3.02Å; R298-L300 VanDerWaalsContact C-N 3.31Å; R298-L300 PolarHBondContact O-N 3.33Å; R298-L301 WeakPolarHBondContact O-CB 3.44Å; R298-L301 PolarHBondContact O-N 2.67Å; R298-L301 VanDerWaalsContact O-N 3.11Å; R298-D302 IonicContact NE-OD1 2.88Å; R298-D302 PolarHBondContact NE-OD1 3.41Å; R298-D302 VanDerWaalsContact O-CG 3.29Å; R298-D302 PolarHBondContact O-N 2.91Å |
| 299 | R | 83.2 | Confident | 76.7 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 174 | -62.6 | -179.3 | -176.5 | 138.1 | -3.1 | 111.5 | F270 L274 S295 D296 L297 L301 D302 F303 | F270-R299 HydrophobicContact CE2-CB 4.38Å; F270-R299 WeakPolarHBondContact CE2-O 3.4Å; F270-R299 HydrophobicContact CZ-CB 4.28Å; L274-R299 HydrophobicContact CD2-CG 4.11Å; S295-R299 PolarHBondContact O-N 2.85Å; D296-R299 PolarHBondContact O-N 3.45Å; D296-R299 IonicContact OD1-NH1 2.79Å; D296-R299 PolarHBondContact OD1-NH1 3.46Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-R299 PolarHBondContact O-N 3.45Å; R299-L301 VanDerWaalsContact C-N 3.35Å; R299-D302 PolarHBondContact O-N 3.34Å; R299-F303 PolarHBondContact O-N 3.13Å; R299-F303 VanDerWaalsContact O-N 3.1Å |
| 300 | L | 86 | Confident | 78.3 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 174.4 | -178.5 | 64.9 | 0 | 0 | 0 | 111.9 | D296 L297 R298 D302 F303 I304 | D296-L300 PolarHBondContact O-N 3.23Å; L297-L300 WeakPolarHBondContact O-CB 3.33Å; L297-L300 PolarHBondContact O-N 2.66Å; R298-L300 VanDerWaalsContact C-N 3.31Å; R298-L300 PolarHBondContact O-N 3.33Å; L300-D302 VanDerWaalsContact C-N 3.35Å; L300-F303 WeakPolarHBondContact O-CB 3.46Å; L300-F303 PolarHBondContact O-N 3.41Å; L300-I304 HydrophobicContact CG-CD1 4.22Å; L300-I304 WeakPolarHBondContact O-CG1 3.3Å; L300-I304 PolarHBondContact O-N 2.87Å |
| 301 | L | 86.9 | Confident | 80.3 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 176.5 | -63.2 | 170.4 | 0 | 0 | 0 | 111.8 | I47 V50 L297 R298 R299 F303 I304 T305 | I47-L301 HydrophobicContact CG2-CD2 4.18Å; V50-L301 HydrophobicContact CG2-CB 4.21Å; V50-L301 HydrophobicContact CG2-CD2 3.41Å; V50-L301 VanDerWaalsContact CG2-CD2 3.41Å; V50-L301 HydrophobicContact CG2-CG 4.26Å; L297-L301 HydrophobicContact CG-CD1 4.31Å; L297-L301 VanDerWaalsContact O-CG 3.28Å; L297-L301 WeakPolarHBondContact O-CG 3.34Å; L297-L301 PolarHBondContact O-N 2.7Å; R298-L301 WeakPolarHBondContact O-CB 3.44Å; R298-L301 PolarHBondContact O-N 2.67Å; R298-L301 VanDerWaalsContact O-N 3.11Å; R299-L301 VanDerWaalsContact C-N 3.35Å; L301-F303 VanDerWaalsContact C-N 3.34Å; L301-F303 PolarHBondContact O-N 3.02Å; L301-I304 PolarHBondContact O-N 3.34Å; L301-T305 WeakPolarHBondContact O-CB 3.43Å; L301-T305 PolarHBondContact O-N 3.3Å; L301-T305 PolarHBondContact O-OG1 3.37Å |
| 302 | D | 85.4 | Confident | 81.8 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 20% | 0.198 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 175.6 | -63.2 | -20.4 | 0 | 0 | 0 | 111.4 | F270 R298 R299 L300 T305 C306 | F270-D302 HydrophobicContact CE2-CB 4.46Å; R298-D302 IonicContact NE-OD1 2.88Å; R298-D302 PolarHBondContact NE-OD1 3.41Å; R298-D302 VanDerWaalsContact O-CG 3.29Å; R298-D302 PolarHBondContact O-N 2.91Å; R299-D302 PolarHBondContact O-N 3.34Å; L300-D302 VanDerWaalsContact C-N 3.35Å; D302-T305 WeakPolarHBondContact O-CB 3.35Å; D302-T305 PolarHBondContact O-N 3.09Å; D302-C306 PolarHBondContact O-N 2.82Å; D302-C306 PolarHBondContact O-SG 3.39Å |
| 303 | F | 90.9 | Very high | 83.6 | Confident | 40 Ų | 40 | 51 Ų | 51 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 171.5 | 177 | -94.3 | 0 | 0 | 0 | 111.8 | T266 F267 F270 R299 L300 L301 T305 C306 L307 | T266-F303 HydrophobicContact CG2-CD2 4.01Å; T266-F303 HydrophobicContact CG2-CE2 3.65Å; T266-F303 HydrophobicContact CG2-CZ 3.94Å; F267-F303 AromaticContact CD1-CE2 3.76Å; F267-F303 HydrophobicContact CD1-CE2 3.76Å; F267-F303 AromaticContact CE1-CE2 3.63Å; F267-F303 HydrophobicContact CE1-CE2 3.63Å; F267-F303 HydrophobicContact CE1-CZ 4.09Å; F267-F303 HydrophobicContact CG-CE2 4.26Å; F267-F303 HydrophobicContact CZ-CE2 4.02Å; F267-F303 HydrophobicContact CZ-CZ 4.04Å; F270-F303 HydrophobicContact CB-CD2 4.01Å; F270-F303 HydrophobicContact CD1-CD2 4.01Å; F270-F303 HydrophobicContact CD2-CB 3.78Å; F270-F303 HydrophobicContact CD2-CD2 4.44Å; F270-F303 HydrophobicContact CE2-CB 3.98Å; F270-F303 HydrophobicContact CG-CB 4.09Å; F270-F303 AromaticContact CG-CD2 3.89Å; F270-F303 HydrophobicContact CG-CD2 3.89Å; F270-F303 HydrophobicContact CZ-CB 4.42Å; R299-F303 PolarHBondContact O-N 3.13Å; R299-F303 VanDerWaalsContact O-N 3.1Å; L300-F303 WeakPolarHBondContact O-CB 3.46Å; L300-F303 PolarHBondContact O-N 3.41Å; L301-F303 VanDerWaalsContact C-N 3.34Å; L301-F303 PolarHBondContact O-N 3.02Å; F303-T305 VanDerWaalsContact C-N 3.28Å; F303-T305 PolarHBondContact O-N 2.7Å; F303-C306 WeakPolarHBondContact O-CB 3.21Å; F303-C306 PolarHBondContact O-N 3.48Å; F303-L307 PolarHBondContact O-N 2.95Å |
| 304 | I | 91.6 | Very high | 85.2 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.9 | -62.5 | 166 | 0 | 0 | 0 | 110.4 | L44 V50 L300 L301 C306 L307 I308 | L44-I304 HydrophobicContact CB-CG2 4.13Å; L44-I304 HydrophobicContact CD1-CG2 4.36Å; L44-I304 HydrophobicContact CD2-CD1 4.47Å; L44-I304 HydrophobicContact CD2-CG2 4.31Å; V50-I304 HydrophobicContact CG1-CB 3.8Å; V50-I304 HydrophobicContact CG1-CG2 3.52Å; L300-I304 HydrophobicContact CG-CD1 4.22Å; L300-I304 WeakPolarHBondContact O-CG1 3.3Å; L300-I304 PolarHBondContact O-N 2.87Å; L301-I304 PolarHBondContact O-N 3.34Å; I304-C306 PolarHBondContact O-N 2.53Å; I304-L307 WeakPolarHBondContact O-CB 3.4Å; I304-L307 PolarHBondContact O-N 2.8Å; I304-I308 HydrophobicContact CG2-CD1 3.81Å; I304-I308 HydrophobicContact CG2-CG1 4.26Å; I304-I308 VanDerWaalsContact O-CG1 3.31Å; I304-I308 WeakPolarHBondContact O-CG1 3.34Å; I304-I308 PolarHBondContact O-N 2.8Å |
| 305 | T | 91.1 | Very high | 86.7 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.2 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | V50 P52 L301 D302 F303 L307 I308 L309 | V50-T305 PolarHBondContact O-OG1 2.84Å; P52-T305 HydrophobicContact CB-CG2 4.46Å; P52-T305 HydrophobicContact CG-CG2 4.22Å; L301-T305 WeakPolarHBondContact O-CB 3.43Å; L301-T305 PolarHBondContact O-N 3.3Å; L301-T305 PolarHBondContact O-OG1 3.37Å; D302-T305 WeakPolarHBondContact O-CB 3.35Å; D302-T305 PolarHBondContact O-N 3.09Å; F303-T305 VanDerWaalsContact C-N 3.28Å; F303-T305 PolarHBondContact O-N 2.7Å; T305-L307 VanDerWaalsContact C-N 3.34Å; T305-L307 PolarHBondContact O-N 3.5Å; T305-I308 PolarHBondContact O-N 3.22Å; T305-L309 WeakPolarHBondContact O-CB 3.31Å; T305-L309 PolarHBondContact O-N 2.82Å |
| 306 | C | 91 | Very high | 87.4 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 175 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | T266 T269 D302 F303 I304 L309 Y310 | T266-C306 HydrophobicContact CG2-CB 3.87Å; T269-C306 PolarHBondContact OG1-SG 3.16Å; T269-C306 VanDerWaalsContact OG1-SG 3.41Å; D302-C306 PolarHBondContact O-N 2.82Å; D302-C306 PolarHBondContact O-SG 3.39Å; F303-C306 WeakPolarHBondContact O-CB 3.21Å; F303-C306 PolarHBondContact O-N 3.48Å; I304-C306 PolarHBondContact O-N 2.53Å; C306-L309 WeakPolarHBondContact O-CB 3.47Å; C306-L309 PolarHBondContact O-N 3.35Å; C306-Y310 WeakPolarHBondContact O-CD2 3.34Å; C306-Y310 PolarHBondContact O-N 3.04Å |
| 307 | L | 91.9 | Very high | 87.8 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 12% | 0.12 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 178.4 | -175.7 | 67.1 | 0 | 0 | 0 | 111.6 | I41 L44 L262 L263 T266 F303 I304 T305 L309 N311 | I41-L307 HydrophobicContact CD1-CD2 4Å; I41-L307 HydrophobicContact CD1-CG 3.97Å; L44-L307 HydrophobicContact CD1-CD2 4.17Å; L262-L307 HydrophobicContact CD2-CD1 4.36Å; L262-L307 HydrophobicContact CG-CD1 4.31Å; L263-L307 HydrophobicContact CD2-CD1 4.39Å; T266-L307 HydrophobicContact CG2-CB 3.9Å; T266-L307 HydrophobicContact CG2-CD1 4.3Å; F303-L307 PolarHBondContact O-N 2.95Å; I304-L307 WeakPolarHBondContact O-CB 3.4Å; I304-L307 PolarHBondContact O-N 2.8Å; T305-L307 VanDerWaalsContact C-N 3.34Å; T305-L307 PolarHBondContact O-N 3.5Å; L307-L309 VanDerWaalsContact C-N 3.35Å; L307-N311 PolarHBondContact O-N 2.97Å; L307-N311 VanDerWaalsContact O-N 3.15Å |
| 308 | I | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68 | -35.9 | 177.1 | -65.9 | 168.9 | 0 | 0 | 0 | 110.9 | I41 L44 Q45 V50 P52 I304 T305 Y310 N311 | I41-I308 HydrophobicContact CG2-CG1 4.41Å; L44-I308 HydrophobicContact CB-CD1 4.37Å; Q45-I308 HydrophobicContact CG-CD1 3.91Å; Q45-I308 HydrophobicContact CG-CG1 4.17Å; Q45-I308 HydrophobicContact CG-CG2 3.72Å; V50-I308 HydrophobicContact CG1-CD1 4.02Å; P52-I308 HydrophobicContact CG-CG2 4.37Å; I304-I308 HydrophobicContact CG2-CD1 3.81Å; I304-I308 HydrophobicContact CG2-CG1 4.26Å; I304-I308 VanDerWaalsContact O-CG1 3.31Å; I304-I308 WeakPolarHBondContact O-CG1 3.34Å; I304-I308 PolarHBondContact O-N 2.8Å; T305-I308 PolarHBondContact O-N 3.22Å; I308-Y310 VanDerWaalsContact C-N 3.29Å; I308-Y310 PolarHBondContact O-N 2.86Å; I308-N311 VanDerWaalsContact O-CG 3.28Å; I308-N311 PolarHBondContact O-OD1 2.9Å |
| 309 | L | 90.1 | Very high | 88.3 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 179.2 | -170.7 | 70.5 | 0 | 0 | 0 | 112.4 | P52 T305 C306 L307 I853 | P52-L309 HydrophobicContact CG-CB 4.44Å; P52-L309 HydrophobicContact CG-CD1 4.12Å; T305-L309 WeakPolarHBondContact O-CB 3.31Å; T305-L309 PolarHBondContact O-N 2.82Å; C306-L309 WeakPolarHBondContact O-CB 3.47Å; C306-L309 PolarHBondContact O-N 3.35Å; L307-L309 VanDerWaalsContact C-N 3.35Å; L309-I853 HydrophobicContact CD1-CG2 3.63Å |
| 310 | Y | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -100 | -2.6 | -175.2 | -61.6 | -50.8 | 0 | 0 | 0 | 114.5 | L262 L265 T269 C306 I308 T312 I313 F841 | L262-Y310 VanDerWaalsContact CD1-C 3.41Å; L262-Y310 VanDerWaalsContact CD1-O 3.28Å; L262-Y310 WeakPolarHBondContact CD1-O 3.28Å; L265-Y310 HydrophobicContact CB-CD2 4.13Å; L265-Y310 HydrophobicContact CB-CE2 4.3Å; T269-Y310 HydrophobicContact CG2-CE2 3.72Å; T269-Y310 WeakPolarHBondContact CG2-OH 3.32Å; C306-Y310 WeakPolarHBondContact O-CD2 3.34Å; C306-Y310 PolarHBondContact O-N 3.04Å; I308-Y310 VanDerWaalsContact C-N 3.29Å; I308-Y310 PolarHBondContact O-N 2.86Å; Y310-T312 PolarHBondContact O-N 3.29Å; Y310-I313 WeakPolarHBondContact O-CB 3.05Å; Y310-I313 VanDerWaalsContact O-CG1 3.31Å; Y310-I313 WeakPolarHBondContact O-CG1 3.37Å; Y310-I313 PolarHBondContact O-N 3.3Å; Y310-F841 HydrophobicContact CE1-CB 3.78Å; Y310-F841 WeakPolarHBondContact OH-CA 3.33Å |
| 311 | N | 89.6 | Confident | 88.4 | Confident | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -53.4 | -33.9 | -171.6 | 72.7 | -30 | 0 | 0 | 0 | 114.4 | F37 I41 T58 L307 I308 I313 I314 | F37-N311 HydrophobicContact CE1-CB 4.43Å; F37-N311 WeakPolarHBondContact CE1-O 3.3Å; F37-N311 HydrophobicContact CZ-CB 4.09Å; I41-N311 HydrophobicContact CD1-CB 4.24Å; I41-N311 HydrophobicContact CG1-CB 4.11Å; I41-N311 HydrophobicContact CG2-CB 3.94Å; I41-N311 WeakPolarHBondContact CG2-ND2 2.95Å; T58-N311 PolarHBondContact OG1-ND2 3.36Å; L307-N311 PolarHBondContact O-N 2.97Å; L307-N311 VanDerWaalsContact O-N 3.15Å; I308-N311 VanDerWaalsContact O-CG 3.28Å; I308-N311 PolarHBondContact O-OD1 2.9Å; N311-I313 VanDerWaalsContact C-N 3.27Å; N311-I313 PolarHBondContact O-N 3.35Å; N311-I314 PolarHBondContact O-N 2.76Å |
| 312 | T | 86.4 | Confident | 88.5 | Confident | 11 Ų | 11 | 13.5 Ų | 13.5 | 7% | 0.067 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -80.5 | 0.4 | -176.9 | 43.5 | 0 | 0 | 0 | 0 | 114 | Y310 I314 I316 N833 Y837 | Y310-T312 PolarHBondContact O-N 3.29Å; T312-I314 CarbonylContact C-O 3.5Å; T312-I314 PolarHBondContact O-N 3.08Å; T312-I316 HydrophobicContact CG2-CD1 4.05Å; T312-I316 HydrophobicContact CG2-CG1 4.47Å; T312-N833 PolarHBondContact O-OD1 2.87Å; T312-Y837 VanDerWaalsContact C-CD2 3.49Å; T312-Y837 WeakPolarHBondContact CB-OH 3.42Å; T312-Y837 HydrophobicContact CG2-CE1 4.25Å; T312-Y837 HydrophobicContact CG2-CE2 4.38Å; T312-Y837 WeakPolarHBondContact O-CD2 3.16Å; T312-Y837 VanDerWaalsContact O-CE2 3.28Å; T312-Y837 WeakPolarHBondContact O-CE2 3.47Å; T312-Y837 WeakPolarHBondContact OG1-CD1 3.49Å; T312-Y837 WeakPolarHBondContact OG1-CE1 3.48Å; T312-Y837 WeakPolarHBondContact OG1-CE2 3.47Å |
| 313 | I | 91 | Very high | 88.5 | Confident | 3 Ų | 3 | 12.3 Ų | 12.3 | 2% | 0.015 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -53.1 | -37.6 | 161.6 | -74.3 | 176.7 | 0 | 0 | 0 | 109.8 | L258 L265 Y310 N311 P315 V834 | L258-I313 HydrophobicContact CB-CG2 4.48Å; L258-I313 HydrophobicContact CD2-CG2 4.32Å; L265-I313 HydrophobicContact CD1-CD1 3.51Å; Y310-I313 WeakPolarHBondContact O-CB 3.05Å; Y310-I313 VanDerWaalsContact O-CG1 3.31Å; Y310-I313 WeakPolarHBondContact O-CG1 3.37Å; Y310-I313 PolarHBondContact O-N 3.3Å; N311-I313 VanDerWaalsContact C-N 3.27Å; N311-I313 PolarHBondContact O-N 3.35Å; I313-P315 WeakPolarHBondContact O-CD 3.4Å; I313-V834 HydrophobicContact CG2-CG2 4.25Å |
| 314 | I | 89.1 | Confident | 88.3 | Confident | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -81.9 | 119.7 | 169.8 | -55 | 178.8 | 0 | 0 | 0 | 107.8 | F37 F38 I255 L258 F259 L262 N311 T312 I316 | F37-I314 HydrophobicContact CD1-CD1 4.09Å; F37-I314 HydrophobicContact CE1-CB 4.25Å; F37-I314 HydrophobicContact CE1-CD1 3.87Å; F37-I314 HydrophobicContact CE1-CG1 4.44Å; F37-I314 HydrophobicContact CZ-CD1 4.14Å; F38-I314 HydrophobicContact CE2-CG2 4.44Å; F38-I314 HydrophobicContact CZ-CB 4.08Å; F38-I314 HydrophobicContact CZ-CG2 3.8Å; F38-I314 WeakPolarHBondContact CZ-O 3.4Å; I255-I314 HydrophobicContact CG2-CD1 4.47Å; I255-I314 HydrophobicContact CG2-CG2 4.01Å; L258-I314 HydrophobicContact CB-CG1 4.37Å; F259-I314 HydrophobicContact CB-CD1 3.95Å; F259-I314 HydrophobicContact CD2-CD1 4.04Å; L262-I314 HydrophobicContact CD2-CD1 4.36Å; N311-I314 PolarHBondContact O-N 2.76Å; T312-I314 CarbonylContact C-O 3.5Å; T312-I314 PolarHBondContact O-N 3.08Å; I314-I316 PolarHBondContact O-N 3.33Å; I314-I316 VanDerWaalsContact O-N 3.11Å |
| 315 | P | 87 | Confident | 88.4 | Confident | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | trans | -69.1 | 110.5 | -175.3 | 26.4 | -34.9 | 0 | 0 | 0 | 111.9 | I313 S317 L318 F830 N833 | I313-P315 WeakPolarHBondContact O-CD 3.4Å; P315-S317 VanDerWaalsContact C-N 3.25Å; P315-S317 PolarHBondContact O-N 3.35Å; P315-L318 HydrophobicContact CB-CB 3.82Å; P315-L318 HydrophobicContact CG-CB 3.56Å; P315-L318 HydrophobicContact CG-CD2 3.78Å; P315-L318 HydrophobicContact CG-CG 4.27Å; P315-L318 PolarHBondContact O-N 2.8Å; P315-F830 HydrophobicContact CG-CD1 3.84Å; P315-F830 HydrophobicContact CG-CE1 3.85Å; P315-N833 WeakPolarHBondContact CB-ND2 3.49Å | ||
| 316 | I | 84.2 | Confident | 88.4 | Confident | 14 Ų | 14 | 11.1 Ų | 11.1 | 7% | 0.072 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -39.7 | 177.3 | -43.2 | -176.6 | 0 | 0 | 0 | 111.2 | F38 T58 P61 I65 T312 I314 L318 P319 | F38-I316 HydrophobicContact CD1-CD1 4.29Å; F38-I316 HydrophobicContact CD1-CG1 3.91Å; F38-I316 HydrophobicContact CD1-CG2 4.36Å; F38-I316 HydrophobicContact CD2-CG2 3.99Å; F38-I316 HydrophobicContact CE1-CB 4.26Å; F38-I316 HydrophobicContact CE1-CD1 4.25Å; F38-I316 HydrophobicContact CE1-CG1 3.49Å; F38-I316 VanDerWaalsContact CE1-CG1 3.49Å; F38-I316 HydrophobicContact CE1-CG2 4.48Å; F38-I316 HydrophobicContact CE2-CB 4.18Å; F38-I316 HydrophobicContact CE2-CG1 4.3Å; F38-I316 HydrophobicContact CE2-CG2 4.09Å; F38-I316 HydrophobicContact CG-CG2 4.15Å; F38-I316 HydrophobicContact CZ-CB 4.02Å; F38-I316 HydrophobicContact CZ-CG1 3.7Å; F38-I316 HydrophobicContact CZ-CG2 4.33Å; T58-I316 HydrophobicContact CG2-CD1 4.14Å; P61-I316 HydrophobicContact CB-CG2 4.47Å; I65-I316 HydrophobicContact CD1-CG2 3.57Å; I65-I316 VanDerWaalsContact CD1-O 3.3Å; I65-I316 WeakPolarHBondContact CD1-O 3.3Å; T312-I316 HydrophobicContact CG2-CD1 4.05Å; T312-I316 HydrophobicContact CG2-CG1 4.47Å; I314-I316 PolarHBondContact O-N 3.33Å; I314-I316 VanDerWaalsContact O-N 3.11Å; I316-L318 PolarHBondContact O-N 2.83Å; I316-P319 WeakPolarHBondContact O-CD 3.24Å |
| 317 | S | 86 | Confident | 88.4 | Confident | 20 Ų | 20 | 14.4 Ų | 14.4 | 14% | 0.14 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -12.8 | -176.3 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | P315 V320 M321 N864 | P315-S317 VanDerWaalsContact C-N 3.25Å; P315-S317 PolarHBondContact O-N 3.35Å; S317-V320 PolarHBondContact O-N 2.84Å; S317-M321 WeakPolarHBondContact O-CB 3.35Å; S317-M321 WeakPolarHBondContact O-CG 3.36Å; S317-M321 PolarHBondContact O-N 2.8Å; S317-N864 PolarHBondContact OG-O 3.34Å |
| 318 | L | 87.4 | Confident | 88.4 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | -172.6 | 177.1 | 67.3 | 0 | 0 | 0 | 113.3 | T251 P315 I316 V320 M321 L322 L825 I826 F830 | T251-L318 HydrophobicContact CG2-CD2 4.09Å; P315-L318 HydrophobicContact CB-CB 3.82Å; P315-L318 HydrophobicContact CG-CB 3.56Å; P315-L318 HydrophobicContact CG-CD2 3.78Å; P315-L318 HydrophobicContact CG-CG 4.27Å; P315-L318 PolarHBondContact O-N 2.8Å; I316-L318 PolarHBondContact O-N 2.83Å; L318-V320 VanDerWaalsContact C-N 3.33Å; L318-V320 PolarHBondContact O-N 3.32Å; L318-M321 PolarHBondContact O-N 2.84Å; L318-L322 HydrophobicContact CD1-CD1 3.95Å; L318-L322 HydrophobicContact CD1-CD2 4.27Å; L318-L322 HydrophobicContact CD1-CG 3.92Å; L318-L322 HydrophobicContact CG-CD1 3.95Å; L318-L322 HydrophobicContact CG-CG 4.32Å; L318-L322 VanDerWaalsContact O-CG 3.27Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.07Å; L318-L825 HydrophobicContact CD1-CD2 4.03Å; L318-I826 HydrophobicContact CD1-CG1 4.44Å; L318-F830 HydrophobicContact CD2-CD1 4.47Å; L318-F830 HydrophobicContact CD2-CE1 3.66Å; L318-F830 HydrophobicContact CD2-CZ 3.74Å |
| 319 | P | 84.1 | Confident | 88.6 | Confident | 22 Ų | 22 | 15.3 Ų | 15.3 | 14% | 0.143 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | -180 | -25 | 35.8 | 0 | 0 | 0 | 113.1 | A34 I316 L322 E323 | A34-P319 HydrophobicContact CB-CG 4.49Å; I316-P319 WeakPolarHBondContact O-CD 3.24Å; P319-L322 PolarHBondContact O-N 3.25Å; P319-E323 WeakPolarHBondContact O-CG 3.45Å; P319-E323 PolarHBondContact O-N 3.32Å |
| 320 | V | 83 | Confident | 88.7 | Confident | 21 Ų | 21 | 15.4 Ų | 15.4 | 13% | 0.127 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71 | -40.8 | 179.6 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | I65 V68 S317 L318 L322 E323 V324 | I65-V320 HydrophobicContact CB-CG2 3.68Å; I65-V320 HydrophobicContact CD1-CG2 4.45Å; I65-V320 HydrophobicContact CG1-CB 4.33Å; I65-V320 HydrophobicContact CG1-CG2 3.56Å; I65-V320 HydrophobicContact CG2-CG2 3.26Å; V68-V320 HydrophobicContact CG1-CG1 4.24Å; S317-V320 PolarHBondContact O-N 2.84Å; L318-V320 VanDerWaalsContact C-N 3.33Å; L318-V320 PolarHBondContact O-N 3.32Å; V320-L322 VanDerWaalsContact C-N 3.29Å; V320-L322 PolarHBondContact O-N 3.16Å; V320-E323 PolarHBondContact O-N 2.9Å; V320-V324 HydrophobicContact CG1-CG2 4.12Å; V320-V324 WeakPolarHBondContact O-CG2 3.46Å; V320-V324 PolarHBondContact O-N 2.96Å |
| 321 | M | 88.1 | Confident | 88.8 | Confident | 22 Ų | 22 | 17.3 Ų | 17.3 | 11% | 0.108 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.9 | -70.3 | -67 | -62.8 | 0 | 0 | 111.3 | S317 L318 V325 A869 P872 M873 | S317-M321 WeakPolarHBondContact O-CB 3.35Å; S317-M321 WeakPolarHBondContact O-CG 3.36Å; S317-M321 PolarHBondContact O-N 2.8Å; L318-M321 PolarHBondContact O-N 2.84Å; M321-V325 VanDerWaalsContact O-CB 3.3Å; M321-V325 WeakPolarHBondContact O-CB 3.34Å; M321-V325 VanDerWaalsContact O-CG2 3.26Å; M321-V325 WeakPolarHBondContact O-CG2 3.45Å; M321-V325 PolarHBondContact O-N 3.41Å; M321-A869 VanDerWaalsContact CE-O 3.3Å; M321-A869 WeakPolarHBondContact CE-O 3.33Å; M321-P872 HydrophobicContact CE-CB 4.36Å; M321-P872 HydrophobicContact CE-CG 4.07Å; M321-M873 HydrophobicContact CE-CB 3.69Å; M321-M873 HydrophobicContact CE-CG 4.42Å |
| 322 | L | 89 | Confident | 89 | Confident | 12 Ų | 12 | 20.6 Ų | 20.6 | 6% | 0.063 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 174.9 | -66.4 | 173.6 | 0 | 0 | 0 | 111.5 | L318 P319 V320 V325 R326 L822 L825 I826 | L318-L322 HydrophobicContact CD1-CD1 3.95Å; L318-L322 HydrophobicContact CD1-CD2 4.27Å; L318-L322 HydrophobicContact CD1-CG 3.92Å; L318-L322 HydrophobicContact CG-CD1 3.95Å; L318-L322 HydrophobicContact CG-CG 4.32Å; L318-L322 VanDerWaalsContact O-CG 3.27Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.07Å; P319-L322 PolarHBondContact O-N 3.25Å; V320-L322 VanDerWaalsContact C-N 3.29Å; V320-L322 PolarHBondContact O-N 3.16Å; L322-V325 PolarHBondContact O-N 2.95Å; L322-R326 WeakPolarHBondContact O-CB 3.24Å; L322-R326 VanDerWaalsContact O-CD 3.31Å; L322-R326 WeakPolarHBondContact O-CD 3.4Å; L322-R326 WeakPolarHBondContact O-CG 3.46Å; L322-R326 PolarHBondContact O-N 2.86Å; L322-L822 HydrophobicContact CD2-CD1 3.35Å; L322-L822 HydrophobicContact CD2-CG 3.9Å; L322-L825 HydrophobicContact CD2-CD2 3.7Å; L322-L825 HydrophobicContact CG-CD2 4.48Å; L322-I826 HydrophobicContact CD1-CG1 4.38Å; L322-I826 HydrophobicContact CD2-CD1 4.1Å; L322-I826 HydrophobicContact CD2-CG1 3.66Å |
| 323 | E | 84.8 | Confident | 89.4 | Confident | 12 Ų | 12 | 20.2 Ų | 20.2 | 6% | 0.056 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 177.6 | -76.2 | -175.6 | 169.4 | 0 | 0 | 112.9 | R32 S69 P319 V320 F327 | R32-E323 IonicContact CZ-OE1 2.75Å; R32-E323 IonicContact NH1-OE1 2.71Å; R32-E323 PolarHBondContact NH1-OE1 3.18Å; R32-E323 IonicContact NH2-OE1 3.71Å; R32-E323 PolarHBondContact NH2-OE1 2.95Å; S69-E323 PolarHBondContact OG-OE2 2.92Å; P319-E323 WeakPolarHBondContact O-CG 3.45Å; P319-E323 PolarHBondContact O-N 3.32Å; V320-E323 PolarHBondContact O-N 2.9Å; E323-F327 WeakPolarHBondContact O-CB 3.5Å; E323-F327 PolarHBondContact O-N 3.12Å |
| 324 | V | 87.7 | Confident | 89.5 | Confident | 48 Ų | 48 | 22 Ų | 22 | 29% | 0.291 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 179.6 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | V320 F327 I328 | V320-V324 HydrophobicContact CG1-CG2 4.12Å; V320-V324 WeakPolarHBondContact O-CG2 3.46Å; V320-V324 PolarHBondContact O-N 2.96Å; V324-F327 PolarHBondContact O-N 3.35Å; V324-I328 HydrophobicContact CG1-CD1 3.88Å; V324-I328 WeakPolarHBondContact O-CG1 3.3Å; V324-I328 PolarHBondContact O-N 3.46Å |
| 325 | V | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 179 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | M321 L322 F327 I328 Q329 L822 L825 M873 G876 L877 | M321-V325 VanDerWaalsContact O-CB 3.3Å; M321-V325 WeakPolarHBondContact O-CB 3.34Å; M321-V325 VanDerWaalsContact O-CG2 3.26Å; M321-V325 WeakPolarHBondContact O-CG2 3.45Å; M321-V325 PolarHBondContact O-N 3.41Å; L322-V325 PolarHBondContact O-N 2.95Å; V325-F327 VanDerWaalsContact C-N 3.32Å; V325-F327 PolarHBondContact O-N 2.81Å; V325-I328 PolarHBondContact O-N 3.28Å; V325-Q329 HydrophobicContact CG1-CG 4.27Å; V325-Q329 WeakPolarHBondContact O-CB 3.48Å; V325-Q329 VanDerWaalsContact O-CG 3.23Å; V325-Q329 WeakPolarHBondContact O-CG 3.14Å; V325-Q329 PolarHBondContact O-N 3.29Å; V325-L822 HydrophobicContact CG1-CD1 4.41Å; V325-L825 HydrophobicContact CB-CD1 4.23Å; V325-L825 HydrophobicContact CG1-CD1 4.21Å; V325-L825 HydrophobicContact CG2-CD1 3.73Å; V325-M873 HydrophobicContact CG2-CG 4.27Å; V325-G876 WeakPolarHBondContact CG1-O 3.29Å; V325-L877 HydrophobicContact CB-CD2 4.4Å; V325-L877 HydrophobicContact CG1-CD2 4.02Å; V325-L877 HydrophobicContact CG2-CD2 4.38Å; V325-L877 HydrophobicContact CG2-CG 4.31Å |
| 326 | R | 92.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 2% | 0.023 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.2 | -41.9 | 174.9 | -80 | 164.9 | 171.7 | 174.7 | 5.6 | 111.7 | E248 L322 Q329 A330 S353 N356 E357 | E248-R326 IonicContact OE2-CZ 3.27Å; E248-R326 IonicContact OE2-NH1 3.53Å; E248-R326 PolarHBondContact OE2-NH1 3.43Å; E248-R326 IonicContact OE2-NH2 4Å; E248-R326 PolarHBondContact OE2-NH2 2.89Å; L322-R326 WeakPolarHBondContact O-CB 3.24Å; L322-R326 VanDerWaalsContact O-CD 3.31Å; L322-R326 WeakPolarHBondContact O-CD 3.4Å; L322-R326 WeakPolarHBondContact O-CG 3.46Å; L322-R326 PolarHBondContact O-N 2.86Å; R326-Q329 PolarHBondContact O-N 3.23Å; R326-A330 WeakPolarHBondContact O-CB 3.45Å; R326-A330 PolarHBondContact O-N 3.27Å; R326-S353 WeakPolarHBondContact CB-O 3.35Å; R326-N356 PolarHBondContact O-ND2 3.25Å; R326-E357 IonicContact CZ-OE1 3.03Å; R326-E357 IonicContact NE-OE1 3.65Å; R326-E357 PolarHBondContact NE-OE1 2.99Å; R326-E357 VanDerWaalsContact NE-OE1 3.09Å; R326-E357 IonicContact NE-OE2 2.69Å; R326-E357 IonicContact NH2-OE1 3.15Å; R326-E357 PolarHBondContact NH2-OE1 3.23Å |
| 327 | F | 89.2 | Confident | 90.7 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 32% | 0.32 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 177.1 | 179.8 | -101.5 | 0 | 0 | 0 | 112.3 | E323 V324 V325 A330 L331 | E323-F327 WeakPolarHBondContact O-CB 3.5Å; E323-F327 PolarHBondContact O-N 3.12Å; V324-F327 PolarHBondContact O-N 3.35Å; V325-F327 VanDerWaalsContact C-N 3.32Å; V325-F327 PolarHBondContact O-N 2.81Å; F327-A330 WeakPolarHBondContact O-CB 3.38Å; F327-A330 PolarHBondContact O-N 3.23Å; F327-L331 HydrophobicContact CD1-CD1 4.29Å; F327-L331 HydrophobicContact CE1-CD1 3.82Å; F327-L331 HydrophobicContact CE1-CG 4.35Å; F327-L331 HydrophobicContact CZ-CD1 4.39Å; F327-L331 PolarHBondContact O-N 3.43Å; F327-L331 VanDerWaalsContact O-N 3.1Å |
| 328 | I | 92.9 | Very high | 91 | Very high | 42 Ų | 42 | 41.9 Ų | 41.9 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -38.4 | 178.6 | -62.9 | 166.9 | 0 | 0 | 0 | 111.2 | V324 V325 A330 L331 Y332 L877 | V324-I328 HydrophobicContact CG1-CD1 3.88Å; V324-I328 WeakPolarHBondContact O-CG1 3.3Å; V324-I328 PolarHBondContact O-N 3.46Å; V325-I328 PolarHBondContact O-N 3.28Å; I328-A330 VanDerWaalsContact C-N 3.27Å; I328-A330 PolarHBondContact O-N 3.31Å; I328-L331 WeakPolarHBondContact O-CA 3.27Å; I328-L331 WeakPolarHBondContact O-CB 3.3Å; I328-L331 PolarHBondContact O-N 3.39Å; I328-L331 VanDerWaalsContact O-N 3.08Å; I328-Y332 HydrophobicContact CG2-CE1 4.09Å; I328-Y332 HydrophobicContact CG2-CE2 4.11Å; I328-Y332 PolarHBondContact O-N 3.07Å; I328-L877 HydrophobicContact CB-CD2 3.7Å; I328-L877 HydrophobicContact CD1-CD1 3.85Å; I328-L877 HydrophobicContact CD1-CD2 4.46Å; I328-L877 HydrophobicContact CG2-CD1 4.19Å; I328-L877 HydrophobicContact CG2-CD2 3.62Å |
| 329 | Q | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -38.6 | 172.8 | -76.4 | 173.6 | -6.2 | 0 | 0 | 111.8 | V325 R326 L331 Y332 I333 N356 G876 L877 | V325-Q329 HydrophobicContact CG1-CG 4.27Å; V325-Q329 WeakPolarHBondContact O-CB 3.48Å; V325-Q329 VanDerWaalsContact O-CG 3.23Å; V325-Q329 WeakPolarHBondContact O-CG 3.14Å; V325-Q329 PolarHBondContact O-N 3.29Å; R326-Q329 PolarHBondContact O-N 3.23Å; Q329-L331 VanDerWaalsContact C-N 3.32Å; Q329-L331 PolarHBondContact O-N 3.19Å; Q329-Y332 WeakPolarHBondContact O-CB 3.43Å; Q329-Y332 PolarHBondContact O-N 3.03Å; Q329-I333 PolarHBondContact O-N 3.03Å; Q329-I333 VanDerWaalsContact O-N 3.15Å; Q329-N356 VanDerWaalsContact CB-ND2 3.29Å; Q329-N356 WeakPolarHBondContact CB-ND2 3.46Å; Q329-G876 PolarHBondContact NE2-O 3.39Å; Q329-L877 HydrophobicContact CG-CD2 4.26Å |
| 330 | A | 92.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R326 F327 I328 Y332 I333 N334 A350 N356 | R326-A330 WeakPolarHBondContact O-CB 3.45Å; R326-A330 PolarHBondContact O-N 3.27Å; F327-A330 WeakPolarHBondContact O-CB 3.38Å; F327-A330 PolarHBondContact O-N 3.23Å; I328-A330 VanDerWaalsContact C-N 3.27Å; I328-A330 PolarHBondContact O-N 3.31Å; A330-Y332 VanDerWaalsContact C-N 3.34Å; A330-Y332 PolarHBondContact O-N 2.91Å; A330-I333 WeakPolarHBondContact O-CB 3.42Å; A330-I333 PolarHBondContact O-N 3.29Å; A330-N334 PolarHBondContact O-N 2.75Å; A330-N334 VanDerWaalsContact O-N 3.08Å; A330-N334 PolarHBondContact O-OD1 3.35Å; A330-N334 VanDerWaalsContact O-OD1 3.09Å; A330-A350 HydrophobicContact CB-CB 3.71Å; A330-N356 PolarHBondContact N-ND2 3.44Å |
| 331 | L | 93.1 | Very high | 92.1 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -37.4 | 172 | -64.2 | 177 | 0 | 0 | 0 | 112.4 | F327 I328 Q329 I333 N334 W335 | F327-L331 HydrophobicContact CD1-CD1 4.29Å; F327-L331 HydrophobicContact CE1-CD1 3.82Å; F327-L331 HydrophobicContact CE1-CG 4.35Å; F327-L331 HydrophobicContact CZ-CD1 4.39Å; F327-L331 PolarHBondContact O-N 3.43Å; F327-L331 VanDerWaalsContact O-N 3.1Å; I328-L331 WeakPolarHBondContact O-CA 3.27Å; I328-L331 WeakPolarHBondContact O-CB 3.3Å; I328-L331 PolarHBondContact O-N 3.39Å; I328-L331 VanDerWaalsContact O-N 3.08Å; Q329-L331 VanDerWaalsContact C-N 3.32Å; Q329-L331 PolarHBondContact O-N 3.19Å; L331-I333 VanDerWaalsContact C-N 3.3Å; L331-I333 PolarHBondContact O-N 2.93Å; L331-N334 PolarHBondContact O-N 3.04Å; L331-N334 VanDerWaalsContact O-N 3.13Å; L331-W335 HydrophobicContact CB-CH2 4.46Å; L331-W335 HydrophobicContact CB-CZ2 4.44Å; L331-W335 HydrophobicContact CB-CZ3 4.5Å; L331-W335 HydrophobicContact CD1-CH2 4.38Å; L331-W335 HydrophobicContact CD1-CZ2 4.49Å; L331-W335 WeakPolarHBondContact O-CB 3.48Å; L331-W335 VanDerWaalsContact O-CG 3.3Å; L331-W335 PolarHBondContact O-N 2.78Å |
| 332 | Y | 94.4 | Very high | 92.2 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 28% | 0.282 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.8 | -32.7 | 174.9 | -66.7 | -21.2 | 0 | 0 | 0 | 113.4 | I328 Q329 A330 W335 D336 L877 F878 | I328-Y332 HydrophobicContact CG2-CE1 4.09Å; I328-Y332 HydrophobicContact CG2-CE2 4.11Å; I328-Y332 PolarHBondContact O-N 3.07Å; Q329-Y332 WeakPolarHBondContact O-CB 3.43Å; Q329-Y332 PolarHBondContact O-N 3.03Å; A330-Y332 VanDerWaalsContact C-N 3.34Å; A330-Y332 PolarHBondContact O-N 2.91Å; Y332-W335 HydrophobicContact CD1-CE3 4.32Å; Y332-D336 PolarHBondContact O-N 3.24Å; Y332-L877 HydrophobicContact CE2-CB 4.48Å; Y332-L877 HydrophobicContact CE2-CD2 4.39Å; Y332-F878 VanDerWaalsContact OH-CE1 3.25Å; Y332-F878 WeakPolarHBondContact OH-CE1 3.41Å |
| 333 | I | 94.7 | Very high | 92 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 171.1 | -65.8 | 172.2 | 0 | 0 | 0 | 109.4 | Q329 A330 L331 W335 D336 M339 A348 A350 L359 Y799 L810 H814 | Q329-I333 PolarHBondContact O-N 3.03Å; Q329-I333 VanDerWaalsContact O-N 3.15Å; A330-I333 WeakPolarHBondContact O-CB 3.42Å; A330-I333 PolarHBondContact O-N 3.29Å; L331-I333 VanDerWaalsContact C-N 3.3Å; L331-I333 PolarHBondContact O-N 2.93Å; I333-W335 VanDerWaalsContact C-N 3.32Å; I333-W335 PolarHBondContact O-N 3.43Å; I333-D336 PolarHBondContact O-N 3.42Å; I333-M339 HydrophobicContact CG2-CE 3.87Å; I333-M339 WeakPolarHBondContact O-CE 2.74Å; I333-A348 HydrophobicContact CG2-CB 4.44Å; I333-A350 HydrophobicContact CB-CB 4.42Å; I333-A350 HydrophobicContact CG2-CB 4.28Å; I333-L359 HydrophobicContact CD1-CD1 4.4Å; I333-Y799 HydrophobicContact CD1-CE1 3.95Å; I333-L810 HydrophobicContact CD1-CD1 4.25Å; I333-L810 HydrophobicContact CG2-CD1 3.92Å; I333-H814 HydrophobicContact CD1-CB 4.45Å; I333-H814 HydrophobicContact CG1-CB 4.2Å |
| 334 | N | 93.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -29 | -178.1 | -60.8 | -2.4 | 0 | 0 | 0 | 114 | A330 L331 A348 M349 A350 | A330-N334 PolarHBondContact O-N 2.75Å; A330-N334 VanDerWaalsContact O-N 3.08Å; A330-N334 PolarHBondContact O-OD1 3.35Å; A330-N334 VanDerWaalsContact O-OD1 3.09Å; L331-N334 PolarHBondContact O-N 3.04Å; L331-N334 VanDerWaalsContact O-N 3.13Å; N334-A348 VanDerWaalsContact CA-O 3.29Å; N334-A348 WeakPolarHBondContact CA-O 3.44Å; N334-M349 WeakPolarHBondContact OD1-CA 3.4Å; N334-A350 PolarHBondContact OD1-N 3.27Å |
| 335 | W | 94.2 | Very high | 91.7 | Very high | 181 Ų | 181 | 57.8 Ų | 57.8 | 69% | 0.686 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.7 | -179.4 | -63.6 | -20.2 | 0 | 0 | 0 | 113.7 | L331 Y332 I333 L337 | L331-W335 HydrophobicContact CB-CH2 4.46Å; L331-W335 HydrophobicContact CB-CZ2 4.44Å; L331-W335 HydrophobicContact CB-CZ3 4.5Å; L331-W335 HydrophobicContact CD1-CH2 4.38Å; L331-W335 HydrophobicContact CD1-CZ2 4.49Å; L331-W335 WeakPolarHBondContact O-CB 3.48Å; L331-W335 VanDerWaalsContact O-CG 3.3Å; L331-W335 PolarHBondContact O-N 2.78Å; Y332-W335 HydrophobicContact CD1-CE3 4.32Å; I333-W335 VanDerWaalsContact C-N 3.32Å; I333-W335 PolarHBondContact O-N 3.43Å; W335-L337 PolarHBondContact O-N 3.05Å |
| 336 | D | 95.3 | Very high | 91.3 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | trans | -77.9 | 106.7 | 180 | -167.2 | -6.7 | 0 | 0 | 0 | 111.3 | Y332 I333 D338 M339 K809 H814 | Y332-D336 PolarHBondContact O-N 3.24Å; I333-D336 PolarHBondContact O-N 3.42Å; D336-D338 PolarHBondContact O-N 3.24Å; D336-D338 PolarHBondContact OD1-N 3.25Å; D336-M339 HydrophobicContact CB-CE 3.68Å; D336-M339 HydrophobicContact CB-CG 4.45Å; D336-M339 PolarHBondContact O-N 3.44Å; D336-K809 IonicContact OD1-NZ 3.59Å; D336-K809 PolarHBondContact OD1-NZ 3.47Å; D336-K809 WeakPolarHBondContact OD2-CE 3.08Å; D336-K809 IonicContact OD2-NZ 2.88Å; D336-K809 PolarHBondContact OD2-NZ 3.22Å; D336-H814 IonicContact OD2-CD2 2.67Å; D336-H814 IonicContact OD2-CE1 3.86Å; D336-H814 IonicContact OD2-NE2 3.74Å; D336-H814 PolarHBondContact OD2-NE2 2.88Å | ||
| 337 | L | 94.5 | Very high | 91.2 | Very high | 142 Ų | 142 | 61.9 Ų | 61.9 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -62.5 | -26.4 | -179.8 | -67.4 | 174.6 | 0 | 0 | 0 | 113.4 | W335 M339 Y340 | W335-L337 PolarHBondContact O-N 3.05Å; L337-M339 PolarHBondContact O-N 3.26Å; L337-Y340 WeakPolarHBondContact O-CB 3.48Å; L337-Y340 PolarHBondContact O-N 3.25Å |
| 338 | D | 93.2 | Very high | 91.3 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -75.4 | -8.2 | 177.4 | -60.1 | -25.5 | 0 | 0 | 0 | 112.4 | D336 F806 K809 | D336-D338 PolarHBondContact O-N 3.24Å; D336-D338 PolarHBondContact OD1-N 3.25Å; D338-F806 WeakPolarHBondContact O-CD1 3.42Å; D338-F806 VanDerWaalsContact O-CE1 3.23Å; D338-F806 WeakPolarHBondContact O-CE1 3.38Å; D338-K809 HydrophobicContact CB-CD 3.86Å; D338-K809 VanDerWaalsContact CB-NZ 3.29Å; D338-K809 VanDerWaalsContact CG-NZ 3.33Å; D338-K809 IonicContact OD2-NZ 2.63Å; D338-K809 PolarHBondContact OD2-NZ 2.87Å |
| 339 | M | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -113.2 | 19.5 | 174 | -55.8 | -167 | -63.2 | 0 | 0 | 112.3 | I333 D336 L337 A348 F806 K809 L810 H814 | I333-M339 HydrophobicContact CG2-CE 3.87Å; I333-M339 WeakPolarHBondContact O-CE 2.74Å; D336-M339 HydrophobicContact CB-CE 3.68Å; D336-M339 HydrophobicContact CB-CG 4.45Å; D336-M339 PolarHBondContact O-N 3.44Å; L337-M339 PolarHBondContact O-N 3.26Å; M339-A348 HydrophobicContact CB-CB 3.84Å; M339-A348 HydrophobicContact CE-CB 4.03Å; M339-A348 PolarHBondContact O-N 3.28Å; M339-F806 HydrophobicContact CB-CB 4.25Å; M339-F806 HydrophobicContact CB-CD1 4.3Å; M339-F806 HydrophobicContact CB-CG 4.15Å; M339-F806 HydrophobicContact CG-CB 4.23Å; M339-F806 HydrophobicContact CG-CD1 4.45Å; M339-F806 HydrophobicContact CG-CG 4.47Å; M339-K809 HydrophobicContact CG-CB 4.38Å; M339-K809 HydrophobicContact CG-CD 4.19Å; M339-K809 HydrophobicContact SD-CB 4.28Å; M339-L810 HydrophobicContact SD-CB 4.11Å; M339-H814 WeakPolarHBondContact CE-NE2 3.32Å |
| 340 | Y | 93.2 | Very high | 90.8 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 35% | 0.353 | 32% | 0.315 | S | S | . | . | trans | -99 | 133 | 172 | 170.8 | -101.5 | 0 | 0 | 0 | 109.7 | L337 D345 P347 | L337-Y340 WeakPolarHBondContact O-CB 3.48Å; L337-Y340 PolarHBondContact O-N 3.25Å; Y340-D345 WeakPolarHBondContact CE2-OD1 3.49Å; Y340-D345 PolarHBondContact OH-OD1 3.07Å; Y340-P347 HydrophobicContact CD2-CB 4.17Å | ||
| 341 | D | 90.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -100.7 | 117.8 | 175.4 | -155.3 | 40.1 | 0 | 0 | 0 | 110.7 | D343 S344 D345 T346 A802 Q803 R805 F806 | D341-D343 VanDerWaalsContact C-N 3.3Å; D341-D343 PolarHBondContact O-N 3.29Å; D341-S344 PolarHBondContact OD2-OG 2.98Å; D341-D345 WeakPolarHBondContact O-CA 3.45Å; D341-D345 PolarHBondContact O-N 2.75Å; D341-D345 VanDerWaalsContact O-N 3.09Å; D341-T346 PolarHBondContact N-O 2.8Å; D341-T346 VanDerWaalsContact N-O 3.1Å; D341-T346 PolarHBondContact O-N 3.06Å; D341-A802 HydrophobicContact CB-CB 3.42Å; D341-A802 VanDerWaalsContact CB-CB 3.42Å; D341-Q803 PolarHBondContact OD1-NE2 3.32Å; D341-Q803 PolarHBondContact OD2-NE2 3.33Å; D341-R805 IonicContact OD1-NH2 3.19Å; D341-R805 PolarHBondContact OD1-NH2 2.89Å; D341-F806 HydrophobicContact CB-CE2 4.03Å; D341-F806 HydrophobicContact CB-CZ 4.25Å |
| 342 | S | 90.1 | Very high | 89.7 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 59% | 0.587 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -32 | -179.3 | 51.7 | 0 | 0 | 0 | 0 | 113 | ||
| 343 | D | 85 | Confident | 89.2 | Confident | 135 Ų | 135 | 62.2 Ų | 62.2 | 72% | 0.722 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -37 | -170.3 | -61 | -11.5 | 0 | 0 | 0 | 111.6 | D341 | D341-D343 VanDerWaalsContact C-N 3.3Å; D341-D343 PolarHBondContact O-N 3.29Å |
| 344 | S | 80.7 | Confident | 88.7 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -2.4 | 177 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | D341 T346 | D341-S344 PolarHBondContact OD2-OG 2.98Å; S344-T346 VanDerWaalsContact C-N 3.28Å; S344-T346 PolarHBondContact O-N 2.84Å; S344-T346 PolarHBondContact OG-OG1 3.05Å |
| 345 | D | 86.2 | Confident | 88.5 | Confident | 114 Ų | 114 | 62 Ų | 62 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 46.1 | -172.9 | -170.2 | 27.8 | 0 | 0 | 0 | 112.5 | Y340 D341 | Y340-D345 WeakPolarHBondContact CE2-OD1 3.49Å; Y340-D345 PolarHBondContact OH-OD1 3.07Å; D341-D345 WeakPolarHBondContact O-CA 3.45Å; D341-D345 PolarHBondContact O-N 2.75Å; D341-D345 VanDerWaalsContact O-N 3.09Å |
| 346 | T | 83.1 | Confident | 88.5 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -120 | 116.4 | -176.5 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | D341 S344 A802 | D341-T346 PolarHBondContact N-O 2.8Å; D341-T346 VanDerWaalsContact N-O 3.1Å; D341-T346 PolarHBondContact O-N 3.06Å; S344-T346 VanDerWaalsContact C-N 3.28Å; S344-T346 PolarHBondContact O-N 2.84Å; S344-T346 PolarHBondContact OG-OG1 3.05Å; T346-A802 WeakPolarHBondContact OG1-CB 3.38Å |
| 347 | P | 90.2 | Very high | 88.3 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | trans | -78.3 | 158.8 | 170 | 32.4 | -33.9 | 0 | 0 | 0 | 111 | Y340 | Y340-P347 HydrophobicContact CD2-CB 4.17Š| ||
| 348 | A | 91.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | trans | -59.4 | 140.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I333 N334 M339 A800 I801 | I333-A348 HydrophobicContact CG2-CB 4.44Å; N334-A348 VanDerWaalsContact CA-O 3.29Å; N334-A348 WeakPolarHBondContact CA-O 3.44Å; M339-A348 HydrophobicContact CB-CB 3.84Å; M339-A348 HydrophobicContact CE-CB 4.03Å; M339-A348 PolarHBondContact O-N 3.28Å; A348-A800 CarbonylContact C-O 3.52Å; A348-A800 WeakPolarHBondContact CA-O 3.28Å; A348-I801 HydrophobicContact CB-CG2 4.24Å | ||
| 349 | M | 88.7 | Confident | 88.4 | Confident | 76 Ų | 76 | 40.2 Ų | 40.2 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 110.8 | -179.6 | -162.3 | 172.3 | 82.6 | 0 | 0 | 111.5 | N334 R351 Y799 A800 | N334-M349 WeakPolarHBondContact OD1-CA 3.4Å; M349-R351 HydrophobicContact CE-CG 3.58Å; M349-R351 PolarHBondContact O-N 3.25Å; M349-Y799 CarbonylContact O-C 3.58Å; M349-Y799 WeakPolarHBondContact O-CA 3.37Å; M349-A800 HydrophobicContact CB-CB 4.33Å; M349-A800 PolarHBondContact N-O 2.69Å; M349-A800 PolarHBondContact O-N 2.67Å |
| 350 | A | 89.3 | Confident | 88.3 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 12% | 0.116 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 106 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A330 I333 N334 Y799 | A330-A350 HydrophobicContact CB-CB 3.71Å; I333-A350 HydrophobicContact CB-CB 4.42Å; I333-A350 HydrophobicContact CG2-CB 4.28Å; N334-A350 PolarHBondContact OD1-N 3.27Å; A350-Y799 HydrophobicContact CB-CD1 3.69Å; A350-Y799 HydrophobicContact CB-CE1 3.66Å |
| 351 | R | 80.4 | Confident | 88.3 | Confident | 102 Ų | 102 | 36.4 Ų | 36.4 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -85.3 | -37.5 | 178.3 | -73.2 | 172.2 | 170.1 | -115.5 | -0.2 | 112 | M349 A794 C795 S797 D798 | M349-R351 HydrophobicContact CE-CG 3.58Å; M349-R351 PolarHBondContact O-N 3.25Å; R351-A794 WeakPolarHBondContact CD-O 3.41Å; R351-A794 PolarHBondContact NE-O 3.27Å; R351-C795 PolarHBondContact NH1-O 2.85Å; R351-S797 WeakPolarHBondContact CD-O 3.14Å; R351-D798 WeakPolarHBondContact CA-O 3.23Å; R351-D798 WeakPolarHBondContact CB-O 3.48Å; R351-D798 PolarHBondContact N-O 3.1Å |
| 352 | T | 80.5 | Confident | 88.5 | Confident | 39 Ų | 39 | 36.1 Ų | 36.1 | 24% | 0.239 | 20% | 0.202 | C | C | . | . | trans | -109.1 | 99.1 | 178.3 | -53.8 | 0 | 0 | 0 | 0 | 110.2 | N354 L355 D798 | T352-N354 PolarHBondContact O-N 2.94Å; T352-L355 HydrophobicContact CG2-CD1 3.82Å; T352-L355 HydrophobicContact CG2-CG 3.89Å; T352-D798 WeakPolarHBondContact CB-OD1 3.47Å; T352-D798 PolarHBondContact N-O 3.3Å; T352-D798 PolarHBondContact OG1-OD1 2.91Å | ||
| 353 | S | 84 | Confident | 88.7 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -65.7 | -21.9 | -177.9 | 64 | 0 | 0 | 0 | 0 | 114.4 | R326 L355 N356 | R326-S353 WeakPolarHBondContact CB-O 3.35Å; S353-L355 PolarHBondContact O-N 3.26Å; S353-N356 PolarHBondContact O-ND2 3.21Å; S353-N356 PolarHBondContact O-OD1 3.08Å |
| 354 | N | 85 | Confident | 89.1 | Confident | 37 Ų | 37 | 31 Ų | 31 | 20% | 0.198 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -77.5 | -0.2 | -171.1 | -64.9 | -20.7 | 0 | 0 | 0 | 114.9 | T352 | T352-N354 PolarHBondContact O-N 2.94Š|
| 355 | L | 89.7 | Confident | 89.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -118.2 | 12.9 | -173 | -57 | 176 | 0 | 0 | 0 | 112.6 | K243 T352 S353 E357 E358 L359 D798 Y799 | K243-L355 HydrophobicContact CB-CD1 3.93Å; K243-L355 HydrophobicContact CB-CD2 4Å; K243-L355 HydrophobicContact CB-CG 4.5Å; K243-L355 HydrophobicContact CD-CD1 3.98Å; T352-L355 HydrophobicContact CG2-CD1 3.82Å; T352-L355 HydrophobicContact CG2-CG 3.89Å; S353-L355 PolarHBondContact O-N 3.26Å; L355-E357 VanDerWaalsContact C-N 3.27Å; L355-E357 PolarHBondContact O-N 3.34Å; L355-E358 HydrophobicContact CB-CB 4.42Å; L355-E358 HydrophobicContact CB-CG 4.43Å; L355-E358 HydrophobicContact CD2-CG 4.09Å; L355-E358 WeakPolarHBondContact O-CB 3.25Å; L355-E358 PolarHBondContact O-N 2.64Å; L355-E358 VanDerWaalsContact O-N 3.13Å; L355-L359 PolarHBondContact O-N 2.75Å; L355-D798 HydrophobicContact CD1-CB 3.95Å; L355-D798 WeakPolarHBondContact CD1-OD1 3.27Å; L355-Y799 HydrophobicContact CB-CE2 4.48Å; L355-Y799 PolarHBondContact O-OH 2.94Å; L355-Y799 VanDerWaalsContact O-OH 3.07Å |
| 356 | N | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -36.2 | -175.4 | -70.9 | -9 | 0 | 0 | 0 | 112.5 | R326 Q329 A330 S353 Y799 N818 | R326-N356 PolarHBondContact O-ND2 3.25Å; Q329-N356 VanDerWaalsContact CB-ND2 3.29Å; Q329-N356 WeakPolarHBondContact CB-ND2 3.46Å; A330-N356 PolarHBondContact N-ND2 3.44Å; S353-N356 PolarHBondContact O-ND2 3.21Å; S353-N356 PolarHBondContact O-OD1 3.08Å; N356-Y799 WeakPolarHBondContact CA-OH 3.49Å; N356-Y799 PolarHBondContact N-OH 3.05Å; N356-Y799 VanDerWaalsContact N-OH 3.17Å; N356-Y799 PolarHBondContact OD1-OH 3.22Å; N356-N818 HydrophobicContact CB-CB 4.16Å; N356-N818 WeakPolarHBondContact O-CB 3.16Å |
| 357 | E | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -26.3 | 176.6 | 64.6 | -87.9 | -148.6 | 0 | 0 | 113.4 | S245 V247 R326 L355 L359 G360 Y819 L822 | S245-E357 WeakPolarHBondContact CB-OE1 3.49Å; S245-E357 WeakPolarHBondContact OG-CG 3.49Å; S245-E357 PolarHBondContact OG-OE1 2.82Å; V247-E357 HydrophobicContact CB-CG 4Å; V247-E357 HydrophobicContact CG2-CB 4.44Å; V247-E357 HydrophobicContact CG2-CG 3.87Å; R326-E357 IonicContact CZ-OE1 3.03Å; R326-E357 IonicContact NE-OE1 3.65Å; R326-E357 PolarHBondContact NE-OE1 2.99Å; R326-E357 VanDerWaalsContact NE-OE1 3.09Å; R326-E357 IonicContact NE-OE2 2.69Å; R326-E357 IonicContact NH2-OE1 3.15Å; R326-E357 PolarHBondContact NH2-OE1 3.23Å; L355-E357 VanDerWaalsContact C-N 3.27Å; L355-E357 PolarHBondContact O-N 3.34Å; E357-L359 PolarHBondContact O-N 3.26Å; E357-G360 PolarHBondContact O-N 3.03Å; E357-Y819 HydrophobicContact CB-CD2 4.48Å; E357-L822 HydrophobicContact CB-CB 4.46Å; E357-L822 HydrophobicContact CB-CD2 3.79Å; E357-L822 HydrophobicContact CG-CD2 3.61Å; E357-L822 VanDerWaalsContact OE1-CD2 3.23Å; E357-L822 WeakPolarHBondContact OE1-CD2 3.37Å; E357-L822 WeakPolarHBondContact OE2-CD2 3.48Å |
| 358 | E | 93.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -65.4 | -32.4 | 177.4 | -71 | -67 | 126.1 | 0 | 0 | 111.3 | S245 T246 L355 G360 Q361 V362 V762 V781 | S245-E358 VanDerWaalsContact CA-OE1 3.23Å; S245-E358 WeakPolarHBondContact CA-OE1 3.49Å; S245-E358 VanDerWaalsContact CB-OE1 3.3Å; S245-E358 WeakPolarHBondContact CB-OE1 3.17Å; S245-E358 PolarHBondContact OG-OE1 2.56Å; T246-E358 WeakPolarHBondContact CA-OE1 3.36Å; T246-E358 WeakPolarHBondContact CB-OE1 3.43Å; T246-E358 PolarHBondContact N-OE1 2.83Å; T246-E358 PolarHBondContact OG1-OE1 3.4Å; L355-E358 HydrophobicContact CB-CB 4.42Å; L355-E358 HydrophobicContact CB-CG 4.43Å; L355-E358 HydrophobicContact CD2-CG 4.09Å; L355-E358 WeakPolarHBondContact O-CB 3.25Å; L355-E358 PolarHBondContact O-N 2.64Å; L355-E358 VanDerWaalsContact O-N 3.13Å; E358-G360 PolarHBondContact O-N 2.74Å; E358-G360 VanDerWaalsContact O-N 3.07Å; E358-Q361 PolarHBondContact O-N 2.86Å; E358-V362 PolarHBondContact O-N 3.21Å; E358-V762 HydrophobicContact CB-CG1 4.4Å; E358-V762 WeakPolarHBondContact OE2-CG1 3.44Å; E358-V762 VanDerWaalsContact OE2-CG2 3.27Å; E358-V762 WeakPolarHBondContact OE2-CG2 3.38Å; E358-V781 HydrophobicContact CB-CG2 3.6Å |
| 359 | L | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -57.5 | -19.8 | 173.2 | -69.9 | 174.9 | 0 | 0 | 0 | 112.9 | I333 L355 E357 L764 V781 Y799 L810 L811 Y894 | I333-L359 HydrophobicContact CD1-CD1 4.4Å; L355-L359 PolarHBondContact O-N 2.75Å; E357-L359 PolarHBondContact O-N 3.26Å; L359-L764 HydrophobicContact CD2-CD1 4.38Å; L359-V781 HydrophobicContact CD2-CG1 3.86Å; L359-Y799 HydrophobicContact CD1-CD1 4.45Å; L359-Y799 HydrophobicContact CD1-CE1 3.79Å; L359-Y799 HydrophobicContact CD1-CE2 3.88Å; L359-Y799 VanDerWaalsContact CD1-CZ 3.46Å; L359-Y799 WeakPolarHBondContact CD1-OH 3.23Å; L359-Y799 HydrophobicContact CD2-CD2 4.18Å; L359-Y799 HydrophobicContact CD2-CE2 3.84Å; L359-Y799 HydrophobicContact CG-CE2 3.89Å; L359-L810 HydrophobicContact CD1-CD1 3.76Å; L359-L810 HydrophobicContact CD1-CG 4.02Å; L359-L810 HydrophobicContact CD2-CD2 4.43Å; L359-L810 HydrophobicContact CD2-CG 4.32Å; L359-L811 HydrophobicContact CB-CD2 4.14Å; L359-L811 HydrophobicContact CD2-CD2 3.68Å; L359-L811 WeakPolarHBondContact O-CD2 3.09Å; L359-Y894 PolarHBondContact O-OH 3.29Å |
| 360 | G | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -87 | -7.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E357 E358 G815 T897 | E357-G360 PolarHBondContact O-N 3.03Å; E358-G360 PolarHBondContact O-N 2.74Å; E358-G360 VanDerWaalsContact O-N 3.07Å; G360-G815 VanDerWaalsContact CA-C 3.41Å; G360-G815 WeakPolarHBondContact CA-O 3.14Å; G360-T897 CarbonylContact O-C 3.48Å; G360-T897 WeakPolarHBondContact O-CB 3.45Å; G360-T897 PolarHBondContact O-OG1 3.16Å |
| 361 | Q | 93.2 | Very high | 89.9 | Confident | 10 Ų | 10 | 16.9 Ų | 16.9 | 5% | 0.047 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -1.6 | -172.6 | -66.8 | 177.8 | -72.5 | 0 | 0 | 113.5 | T246 E358 R363 V762 Y819 Y894 S900 | T246-Q361 PolarHBondContact OG1-OE1 3.33Å; E358-Q361 PolarHBondContact O-N 2.86Å; Q361-R363 PolarHBondContact O-N 2.97Å; Q361-V762 HydrophobicContact CB-CB 4.23Å; Q361-V762 HydrophobicContact CB-CG2 3.66Å; Q361-Y819 HydrophobicContact CG-CD2 3.71Å; Q361-Y819 HydrophobicContact CG-CE2 3.65Å; Q361-Y819 HydrophobicContact CG-CG 4.47Å; Q361-Y894 PolarHBondContact N-OH 3.46Å; Q361-S900 PolarHBondContact NE2-OG 3.43Å |
| 362 | V | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 126.6 | -179.6 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | E358 I365 V762 L764 L811 Y894 Q898 | E358-V362 PolarHBondContact O-N 3.21Å; V362-I365 HydrophobicContact CG1-CG1 3.91Å; V362-V762 HydrophobicContact CG2-CG1 4.19Å; V362-L764 HydrophobicContact CB-CB 4.48Å; V362-L764 HydrophobicContact CG1-CB 3.56Å; V362-L764 HydrophobicContact CG1-CD1 4.36Å; V362-L764 HydrophobicContact CG2-CB 4.04Å; V362-L764 HydrophobicContact CG2-CD1 3.99Å; V362-L811 HydrophobicContact CB-CD2 4.36Å; V362-L811 HydrophobicContact CG2-CD2 3.92Å; V362-Y894 PolarHBondContact N-OH 3.32Å; V362-Y894 WeakPolarHBondContact O-CE1 3.42Å; V362-Q898 PolarHBondContact O-NE2 2.57Å |
| 363 | R | 93 | Very high | 90.8 | Very high | 98 Ų | 98 | 10.3 Ų | 10.3 | 37% | 0.37 | 5% | 0.05 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -31.2 | 176.2 | -174.3 | 175.4 | 178.3 | -179 | -0.2 | 113.3 | Q361 I645 S646 A761 V762 | Q361-R363 PolarHBondContact O-N 2.97Å; R363-I645 WeakPolarHBondContact O-CA 3.32Å; R363-S646 PolarHBondContact O-N 3.06Å; R363-A761 HydrophobicContact CB-CB 4.28Å; R363-V762 PolarHBondContact N-O 3.46Å |
| 364 | Y | 94.5 | Very high | 90.9 | Very high | 13 Ų | 13 | 10 Ų | 10 | 5% | 0.051 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.2 | 178.1 | -62 | -84.4 | 0 | 0 | 0 | 110 | S646 L732 V754 I758 A761 V762 L764 | Y364-S646 WeakPolarHBondContact CA-O 3.07Å; Y364-L732 HydrophobicContact CE1-CD2 3.91Å; Y364-V754 HydrophobicContact CD2-CG1 4.23Å; Y364-V754 HydrophobicContact CG-CG1 4.34Å; Y364-I758 HydrophobicContact CE2-CD1 3.64Å; Y364-A761 HydrophobicContact CD2-CB 3.99Å; Y364-A761 HydrophobicContact CE2-CB 3.79Å; Y364-V762 PolarHBondContact N-O 3.07Å; Y364-L764 PolarHBondContact O-N 2.78Å |
| 365 | I | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125 | 172.4 | -67.3 | 173.1 | 0 | 0 | 0 | 108.5 | V362 L640 I645 S646 I647 W648 L764 I766 L807 L811 | V362-I365 HydrophobicContact CG1-CG1 3.91Å; I365-L640 HydrophobicContact CD1-CD1 3.88Å; I365-I645 HydrophobicContact CB-CG2 4.29Å; I365-I645 HydrophobicContact CD1-CG2 3.51Å; I365-I645 HydrophobicContact CG1-CG2 3.57Å; I365-S646 PolarHBondContact N-O 3.3Å; I365-I647 HydrophobicContact CB-CG1 4.22Å; I365-I647 CarbonylContact O-C 3.58Å; I365-I647 WeakPolarHBondContact O-CA 3.35Å; I365-W648 PolarHBondContact O-N 2.99Å; I365-L764 CarbonylContact C-O 3.51Å; I365-L764 VanDerWaalsContact CA-O 3.32Å; I365-L764 WeakPolarHBondContact CA-O 3.32Å; I365-L764 HydrophobicContact CG1-CB 4.21Å; I365-L764 HydrophobicContact CG1-CD2 4.15Å; I365-L764 HydrophobicContact CG2-CD2 4.06Å; I365-I766 HydrophobicContact CG2-CG2 4.14Å; I365-L807 HydrophobicContact CD1-CD2 4.15Å; I365-L811 HydrophobicContact CD1-CD1 3.92Å |
| 366 | F | 96.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.4 | 169.3 | -57.3 | -85.2 | 0 | 0 | 0 | 108.1 | W648 L650 V751 V754 T763 L764 A765 I766 M775 | F366-W648 CarbonylContact C-O 3.55Å; F366-W648 WeakPolarHBondContact CA-O 3.46Å; F366-W648 HydrophobicContact CD1-CB 3.8Å; F366-W648 HydrophobicContact CD1-CD2 4.4Å; F366-W648 HydrophobicContact CD1-CE3 4.19Å; F366-W648 HydrophobicContact CD1-CG 4.3Å; F366-W648 HydrophobicContact CE1-CB 4.13Å; F366-W648 AromaticContact CE1-CD2 3.83Å; F366-W648 HydrophobicContact CE1-CD2 3.83Å; F366-W648 AromaticContact CE1-CE3 3.51Å; F366-W648 HydrophobicContact CE1-CE3 3.51Å; F366-W648 HydrophobicContact CE1-CG 4.14Å; F366-W648 HydrophobicContact CE1-CZ3 4.15Å; F366-W648 HydrophobicContact CZ-CE3 4.48Å; F366-L650 HydrophobicContact CB-CD1 4.22Å; F366-L650 HydrophobicContact CD1-CD1 3.96Å; F366-L650 HydrophobicContact CD1-CG 4.42Å; F366-L650 HydrophobicContact CG-CD1 4.48Å; F366-V751 HydrophobicContact CB-CG2 3.99Å; F366-V751 HydrophobicContact CD1-CG2 4Å; F366-V751 HydrophobicContact CD2-CB 4.45Å; F366-V751 HydrophobicContact CD2-CG1 4.25Å; F366-V751 HydrophobicContact CD2-CG2 3.69Å; F366-V751 HydrophobicContact CE1-CG2 4.41Å; F366-V751 HydrophobicContact CE2-CG1 4.29Å; F366-V751 HydrophobicContact CE2-CG2 4.14Å; F366-V751 HydrophobicContact CG-CG2 3.61Å; F366-V751 HydrophobicContact CZ-CG2 4.48Å; F366-V754 HydrophobicContact CE1-CG2 4.24Å; F366-V754 HydrophobicContact CZ-CB 3.79Å; F366-V754 HydrophobicContact CZ-CG1 4Å; F366-V754 HydrophobicContact CZ-CG2 3.82Å; F366-T763 HydrophobicContact CE2-CG2 3.86Å; F366-L764 WeakPolarHBondContact CD2-O 3.45Å; F366-L764 PolarHBondContact N-O 2.84Å; F366-A765 HydrophobicContact CB-CB 4.4Å; F366-A765 CarbonylContact O-C 3.51Å; F366-A765 VanDerWaalsContact O-CA 3.28Å; F366-A765 WeakPolarHBondContact O-CA 3.36Å; F366-I766 PolarHBondContact O-N 2.82Å; F366-M775 HydrophobicContact CB-SD 3.97Å |
| 367 | S | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.8 | -177.1 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | T372 W648 V649 L650 | S367-T372 WeakPolarHBondContact OG-CG2 3.19Å; S367-W648 PolarHBondContact N-O 2.7Å; S367-V649 CarbonylContact O-C 3.58Å; S367-V649 WeakPolarHBondContact O-CA 3.39Å; S367-L650 PolarHBondContact O-N 2.64Å |
| 368 | D | 90.5 | Very high | 89.4 | Confident | 9 Ų | 9 | 19.5 Ų | 19.5 | 5% | 0.048 | 9% | 0.092 | C | C | . | . | trans | -72.6 | 165.1 | 158 | -168.4 | 54.5 | 0 | 0 | 0 | 111.2 | T370 T372 L373 K747 I766 D772 | D368-T370 PolarHBondContact OD2-N 3.03Å; D368-T372 WeakPolarHBondContact O-CB 3.45Å; D368-T372 WeakPolarHBondContact O-CG2 3.49Å; D368-L373 WeakPolarHBondContact O-CG 3.18Å; D368-K747 IonicContact OD1-NZ 3.43Å; D368-K747 PolarHBondContact OD1-NZ 3.28Å; D368-I766 PolarHBondContact N-O 3.17Å; D368-D772 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 369 | K | 88.2 | Confident | 89.1 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.017 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -98.8 | -52.5 | 179.1 | -172.4 | -126.7 | 77.1 | 156.9 | 0 | 112 | L373 T374 D627 V649 D653 T657 I661 | K369-L373 PolarHBondContact O-N 3.3Å; K369-L373 VanDerWaalsContact O-N 3.1Å; K369-T374 PolarHBondContact O-N 3.37Å; K369-T374 VanDerWaalsContact O-N 3.11Å; K369-T374 PolarHBondContact O-OG1 2.68Å; K369-D627 IonicContact NZ-OD2 2.89Å; K369-D627 PolarHBondContact NZ-OD2 3.01Å; K369-V649 HydrophobicContact CB-CG1 4.23Å; K369-D653 WeakPolarHBondContact CD-OD2 3.44Å; K369-D653 WeakPolarHBondContact CE-OD2 3.46Å; K369-D653 IonicContact NZ-OD2 2.84Å; K369-D653 PolarHBondContact NZ-OD2 2.69Å; K369-T657 HydrophobicContact CD-CG2 4.38Å; K369-I661 HydrophobicContact CD-CB 4.48Å; K369-I661 HydrophobicContact CD-CG1 3.94Å; K369-I661 HydrophobicContact CG-CB 4.24Å; K369-I661 HydrophobicContact CG-CG1 4.15Å; K369-I661 HydrophobicContact CG-CG2 3.88Å |
| 370 | T | 80.7 | Confident | 88.9 | Confident | 27 Ų | 27 | 21.9 Ų | 21.9 | 17% | 0.166 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 130.7 | -170.6 | -61.6 | 0 | 0 | 0 | 0 | 108.2 | D368 T372 T374 N376 | D368-T370 PolarHBondContact OD2-N 3.03Å; T370-T372 PolarHBondContact O-N 3.03Å; T370-T374 WeakPolarHBondContact CA-OG1 3.28Å; T370-N376 WeakPolarHBondContact CG2-ND2 3.13Å; T370-N376 VanDerWaalsContact CG2-OD1 3.28Å; T370-N376 WeakPolarHBondContact CG2-OD1 2.97Å |
| 371 | G | 78.6 | Confident | 88.7 | Confident | 6 Ų | 6 | 22.5 Ų | 22.5 | 6% | 0.062 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -14.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | T374 N376 Q630 D768 | G371-T374 CarbonylContact C-O 3.52Å; G371-T374 WeakPolarHBondContact CA-O 3.29Å; G371-T374 PolarHBondContact N-O 3.08Å; G371-T374 PolarHBondContact N-OG1 3.02Å; G371-N376 PolarHBondContact N-ND2 2.96Å; G371-N376 PolarHBondContact N-OD1 3.45Å; G371-N376 VanDerWaalsContact N-OD1 3.08Å; G371-Q630 PolarHBondContact O-NE2 3.42Å; G371-D768 VanDerWaalsContact CA-OD2 3.29Å; G371-D768 WeakPolarHBondContact CA-OD2 3.36Å |
| 372 | T | 88.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -59.7 | 177.6 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | S367 D368 T370 Q630 I766 G767 D768 I785 F804 | S367-T372 WeakPolarHBondContact OG-CG2 3.19Å; D368-T372 WeakPolarHBondContact O-CB 3.45Å; D368-T372 WeakPolarHBondContact O-CG2 3.49Å; T370-T372 PolarHBondContact O-N 3.03Å; T372-Q630 PolarHBondContact O-NE2 2.91Å; T372-I766 HydrophobicContact CG2-CG1 4.22Å; T372-I766 HydrophobicContact CG2-CG2 4.26Å; T372-G767 WeakPolarHBondContact OG1-CA 3.47Å; T372-D768 PolarHBondContact OG1-N 3.33Å; T372-D768 PolarHBondContact OG1-OD1 3.44Å; T372-I785 HydrophobicContact CG2-CD1 3.63Å; T372-F804 HydrophobicContact CG2-CD2 4.1Å |
| 373 | L | 91.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -30.7 | 174.1 | -60.8 | 176.3 | 0 | 0 | 0 | 111.1 | D368 K369 L629 Q630 V633 I637 V649 I661 F804 | D368-L373 WeakPolarHBondContact O-CG 3.18Å; K369-L373 PolarHBondContact O-N 3.3Å; K369-L373 VanDerWaalsContact O-N 3.1Å; L373-L629 CarbonylContact O-C 3.59Å; L373-L629 WeakPolarHBondContact O-CA 3.45Å; L373-Q630 PolarHBondContact O-N 2.88Å; L373-V633 HydrophobicContact CB-CG1 4.48Å; L373-V633 HydrophobicContact CD2-CG1 3.88Å; L373-I637 HydrophobicContact CD2-CD1 4.15Å; L373-V649 HydrophobicContact CD1-CG1 4.39Å; L373-V649 HydrophobicContact CD1-CG2 4.12Å; L373-I661 HydrophobicContact CD1-CG2 4.38Å; L373-F804 HydrophobicContact CD2-CD1 4.38Å; L373-F804 HydrophobicContact CD2-CD2 3.86Å; L373-F804 HydrophobicContact CD2-CE1 4.17Å; L373-F804 HydrophobicContact CD2-CE2 3.63Å; L373-F804 HydrophobicContact CD2-CG 4.24Å; L373-F804 HydrophobicContact CD2-CZ 3.8Å |
| 374 | T | 87.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 156.7 | -179.1 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | K369 T370 G371 N376 K628 L629 I661 | K369-T374 PolarHBondContact O-N 3.37Å; K369-T374 VanDerWaalsContact O-N 3.11Å; K369-T374 PolarHBondContact O-OG1 2.68Å; T370-T374 WeakPolarHBondContact CA-OG1 3.28Å; G371-T374 CarbonylContact C-O 3.52Å; G371-T374 WeakPolarHBondContact CA-O 3.29Å; G371-T374 PolarHBondContact N-O 3.08Å; G371-T374 PolarHBondContact N-OG1 3.02Å; T374-N376 VanDerWaalsContact C-N 3.34Å; T374-N376 PolarHBondContact OG1-OD1 2.83Å; T374-K628 CarbonylContact C-O 3.53Å; T374-K628 WeakPolarHBondContact CA-O 3.46Å; T374-L629 HydrophobicContact CG2-CD2 3.97Å; T374-I661 HydrophobicContact CG2-CD1 3.59Å; T374-I661 HydrophobicContact CG2-CG1 4.16Å |
| 375 | R | 82.8 | Confident | 88.5 | Confident | 106 Ų | 106 | 18 Ų | 18 | 40% | 0.4 | 9% | 0.088 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -0.2 | 172.7 | -60.1 | -179 | -168.8 | -160.3 | 1.7 | 112.6 | V377 K628 L629 Q630 T631 | R375-V377 HydrophobicContact CB-CG2 4.28Å; R375-V377 PolarHBondContact O-N 3.07Å; R375-K628 PolarHBondContact N-O 2.97Å; R375-L629 PolarHBondContact NE-O 3.38Å; R375-Q630 HydrophobicContact CG-CB 4.41Å; R375-Q630 HydrophobicContact CG-CG 3.99Å; R375-T631 PolarHBondContact NH2-OG1 3.18Å |
| 376 | N | 76.5 | Confident | 88.1 | Confident | 31 Ų | 31 | 18.6 Ų | 18.6 | 17% | 0.166 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.9 | 30.4 | -170.2 | -58.8 | -23.7 | 0 | 0 | 0 | 113.9 | T370 G371 T374 E789 | T370-N376 WeakPolarHBondContact CG2-ND2 3.13Å; T370-N376 VanDerWaalsContact CG2-OD1 3.28Å; T370-N376 WeakPolarHBondContact CG2-OD1 2.97Å; G371-N376 PolarHBondContact N-ND2 2.96Å; G371-N376 PolarHBondContact N-OD1 3.45Å; G371-N376 VanDerWaalsContact N-OD1 3.08Å; T374-N376 VanDerWaalsContact C-N 3.34Å; T374-N376 PolarHBondContact OG1-OD1 2.83Å; N376-E789 VanDerWaalsContact CB-OE1 3.3Å; N376-E789 WeakPolarHBondContact CB-OE1 3.41Å; N376-E789 PolarHBondContact ND2-OE1 3.21Å; N376-E789 PolarHBondContact ND2-OE2 3.09Å |
| 377 | V | 82.4 | Confident | 87.6 | Confident | 76 Ų | 76 | 19.4 Ų | 19.4 | 46% | 0.461 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.7 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | R375 K628 | R375-V377 HydrophobicContact CB-CG2 4.28Å; R375-V377 PolarHBondContact O-N 3.07Å; V377-K628 HydrophobicContact CB-CB 4.49Å; V377-K628 VanDerWaalsContact O-CB 3.31Å; V377-K628 WeakPolarHBondContact O-CB 3.4Å; V377-K628 PolarHBondContact O-N 3.34Å |
| 378 | M | 86 | Confident | 87.4 | Confident | 26 Ų | 26 | 23 Ų | 23 | 13% | 0.128 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.4 | 173.3 | -59.8 | -57 | 167.8 | 0 | 0 | 109.4 | P472 A476 R571 I625 E626 D627 | M378-P472 HydrophobicContact CB-CB 4.45Å; M378-P472 HydrophobicContact CE-CG 4.18Å; M378-P472 HydrophobicContact CG-CB 3.7Å; M378-P472 HydrophobicContact CG-CG 4.01Å; M378-A476 HydrophobicContact CB-CB 3.87Å; M378-A476 WeakPolarHBondContact O-CB 3.17Å; M378-R571 VanDerWaalsContact CE-CZ 3.46Å; M378-I625 HydrophobicContact CB-CG2 3.81Å; M378-E626 WeakPolarHBondContact CA-O 3.39Å; M378-D627 HydrophobicContact CE-CB 4.12Å; M378-D627 HydrophobicContact SD-CB 3.7Å |
| 379 | E | 87.7 | Confident | 87.4 | Confident | 42 Ų | 42 | 23.9 Ų | 23.9 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.2 | -178.2 | -172 | 170.9 | 176.4 | 0 | 0 | 110.2 | K381 N398 I625 E626 K628 | E379-K381 PolarHBondContact O-N 3.1Å; E379-K381 VanDerWaalsContact O-N 3.09Å; E379-N398 PolarHBondContact OE1-ND2 2.97Å; E379-I625 CarbonylContact O-C 3.54Å; E379-I625 WeakPolarHBondContact O-CA 3.37Å; E379-E626 PolarHBondContact N-O 3.29Å; E379-E626 PolarHBondContact O-N 3.22Å; E379-K628 IonicContact OE2-NZ 2.73Å; E379-K628 PolarHBondContact OE2-NZ 3.33Å |
| 380 | F | 90.6 | Very high | 87.5 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 104.2 | 174.5 | -174 | -85.6 | 0 | 0 | 0 | 109.4 | C383 A399 L400 F419 L423 L477 A480 T623 | F380-C383 HydrophobicContact CE1-CB 4Å; F380-C383 HydrophobicContact CZ-CB 3.61Å; F380-A399 HydrophobicContact CE1-CB 4.39Å; F380-L400 HydrophobicContact CD1-CD2 4.22Å; F380-L400 HydrophobicContact CD1-CG 4.2Å; F380-L400 HydrophobicContact CE1-CD2 4.46Å; F380-F419 HydrophobicContact CZ-CE1 4.49Å; F380-L423 HydrophobicContact CE2-CD1 4.22Å; F380-L477 HydrophobicContact CD2-CD2 3.93Å; F380-L477 HydrophobicContact CE2-CD2 4Å; F380-A480 HydrophobicContact CB-CB 3.63Å; F380-A480 HydrophobicContact CD1-CB 4.06Å; F380-A480 HydrophobicContact CD2-CB 3.84Å; F380-A480 HydrophobicContact CE2-CB 4.45Å; F380-A480 HydrophobicContact CG-CB 3.58Å; F380-T623 HydrophobicContact CE2-CG2 3.68Å; F380-T623 HydrophobicContact CZ-CG2 4.31Å |
| 381 | K | 88 | Confident | 87.5 | Confident | 13 Ų | 13 | 22.6 Ų | 22.6 | 6% | 0.057 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -53.8 | -169.7 | -166.2 | 72.8 | -172.3 | 175.6 | 0 | 112.7 | E379 D396 S397 N398 A399 L570 A624 E626 | E379-K381 PolarHBondContact O-N 3.1Å; E379-K381 VanDerWaalsContact O-N 3.09Å; K381-D396 VanDerWaalsContact NZ-C 3.31Å; K381-D396 PolarHBondContact NZ-O 2.89Å; K381-S397 WeakPolarHBondContact CE-O 3.19Å; K381-N398 VanDerWaalsContact CD-OD1 3.22Å; K381-N398 WeakPolarHBondContact CD-OD1 3.41Å; K381-N398 WeakPolarHBondContact CE-OD1 3.42Å; K381-N398 PolarHBondContact NZ-OD1 3.21Å; K381-A399 WeakPolarHBondContact O-CB 3.04Å; K381-A399 PolarHBondContact O-N 3.24Å; K381-L570 HydrophobicContact CB-CD1 4.49Å; K381-L570 HydrophobicContact CB-CD2 4.09Å; K381-L570 HydrophobicContact CG-CD1 4.5Å; K381-L570 HydrophobicContact CG-CD2 4.23Å; K381-A624 PolarHBondContact N-O 2.99Å; K381-E626 HydrophobicContact CB-CB 4.13Å; K381-E626 WeakPolarHBondContact CD-OE2 3.12Å |
| 382 | R | 91.2 | Very high | 87.1 | Confident | 27 Ų | 27 | 26.5 Ų | 26.5 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.7 | -175.8 | -61.2 | -175.6 | 178 | 153.1 | 1.7 | 111.5 | G391 F565 L570 A624 | R382-G391 PolarHBondContact NE-O 2.78Å; R382-F565 HydrophobicContact CB-CD1 4.21Å; R382-F565 HydrophobicContact CB-CE1 3.61Å; R382-F565 HydrophobicContact CB-CZ 3.94Å; R382-F565 HydrophobicContact CG-CE1 4.31Å; R382-L570 HydrophobicContact CB-CD1 4.47Å; R382-L570 HydrophobicContact CG-CD1 4.27Å; R382-A624 HydrophobicContact CB-CB 3.97Å; R382-A624 PolarHBondContact N-O 3.03Å; R382-A624 VanDerWaalsContact N-O 3.13Å; R382-A624 WeakPolarHBondContact O-CA 3.39Å; R382-A624 WeakPolarHBondContact O-CB 3.35Å; R382-A624 PolarHBondContact O-N 2.86Å |
| 383 | C | 92.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 154.8 | 168.9 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | F380 I385 Y390 F419 A622 | F380-C383 HydrophobicContact CE1-CB 4Å; F380-C383 HydrophobicContact CZ-CB 3.61Å; C383-I385 HydrophobicContact CB-CG1 4.36Å; C383-Y390 PolarHBondContact N-O 3.06Å; C383-Y390 PolarHBondContact O-N 3.01Å; C383-F419 HydrophobicContact CB-CE1 4.38Å; C383-F419 HydrophobicContact CB-CZ 4.25Å; C383-A622 CarbonylContact C-O 3.52Å; C383-A622 VanDerWaalsContact CA-O 3.31Å; C383-A622 WeakPolarHBondContact CA-O 3.46Å; C383-A622 WeakPolarHBondContact CB-O 3.2Å |
| 384 | S | 93.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119 | 167.5 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | I388 H561 G621 A622 | S384-I388 CarbonylContact C-O 3.57Å; S384-I388 VanDerWaalsContact CA-O 3.3Å; S384-I388 WeakPolarHBondContact CA-O 3.2Å; S384-H561 PolarHBondContact OG-ND1 3.39Å; S384-G621 CarbonylContact O-C 3.53Å; S384-G621 WeakPolarHBondContact O-CA 3.06Å; S384-A622 PolarHBondContact N-O 3.46Å; S384-A622 PolarHBondContact O-N 3.21Å |
| 385 | I | 93.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123.2 | 177.8 | -50 | 171.9 | 0 | 0 | 0 | 108.4 | C383 G387 I388 Y390 L405 V416 F419 F420 | C383-I385 HydrophobicContact CB-CG1 4.36Å; I385-G387 VanDerWaalsContact C-N 3.26Å; I385-G387 PolarHBondContact O-N 3.46Å; I385-I388 PolarHBondContact N-O 2.89Å; I385-I388 PolarHBondContact O-N 3.09Å; I385-I388 VanDerWaalsContact O-N 3.17Å; I385-Y390 HydrophobicContact CB-CD2 4.48Å; I385-Y390 HydrophobicContact CB-CE2 3.85Å; I385-Y390 HydrophobicContact CD1-CD2 4.47Å; I385-Y390 HydrophobicContact CD1-CE2 4.38Å; I385-Y390 HydrophobicContact CG1-CD2 4.38Å; I385-Y390 HydrophobicContact CG1-CE2 4.21Å; I385-L405 HydrophobicContact CD1-CD1 3.94Å; I385-V416 HydrophobicContact CG2-CG2 4.15Å; I385-F419 HydrophobicContact CD1-CB 4.41Å; I385-F419 HydrophobicContact CD1-CD1 3.49Å; I385-F419 VanDerWaalsContact CD1-CD1 3.49Å; I385-F419 HydrophobicContact CD1-CE1 3.75Å; I385-F419 HydrophobicContact CD1-CG 3.93Å; I385-F419 HydrophobicContact CD1-CZ 4.38Å; I385-F419 HydrophobicContact CG1-CD1 3.86Å; I385-F419 HydrophobicContact CG1-CD2 4.09Å; I385-F419 HydrophobicContact CG1-CE1 3.9Å; I385-F419 HydrophobicContact CG1-CE2 4.13Å; I385-F419 HydrophobicContact CG1-CG 3.93Å; I385-F419 HydrophobicContact CG1-CZ 4.01Å; I385-F419 HydrophobicContact CG2-CB 4.08Å; I385-F419 HydrophobicContact CG2-CD2 4.44Å; I385-F419 HydrophobicContact CG2-CG 4.24Å; I385-F420 HydrophobicContact CD1-CE2 4.28Å |
| 386 | G | 89 | Confident | 82.1 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 12% | 0.124 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 34.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I388 F554 L620 | G386-I388 VanDerWaalsContact C-N 3.3Å; G386-I388 PolarHBondContact O-N 2.8Å; G386-F554 WeakPolarHBondContact O-CD1 3.1Å; G386-L620 PolarHBondContact N-O 3.08Å |
| 387 | G | 86.5 | Confident | 81.4 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 18% | 0.175 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 11 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I385 S557 H561 | I385-G387 VanDerWaalsContact C-N 3.26Å; I385-G387 PolarHBondContact O-N 3.46Å; G387-S557 WeakPolarHBondContact CA-OG 3.47Å; G387-H561 PolarHBondContact O-CE1 3.45Å; G387-H561 VanDerWaalsContact O-CE1 3.25Å |
| 388 | I | 90.5 | Very high | 81 | Confident | 76 Ų | 76 | 41 Ų | 41 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.2 | 175.8 | -64.9 | 161.3 | 0 | 0 | 0 | 109.4 | S384 I385 G386 Y390 | S384-I388 CarbonylContact C-O 3.57Å; S384-I388 VanDerWaalsContact CA-O 3.3Å; S384-I388 WeakPolarHBondContact CA-O 3.2Å; I385-I388 PolarHBondContact N-O 2.89Å; I385-I388 PolarHBondContact O-N 3.09Å; I385-I388 VanDerWaalsContact O-N 3.17Å; G386-I388 VanDerWaalsContact C-N 3.3Å; G386-I388 PolarHBondContact O-N 2.8Å; I388-Y390 HydrophobicContact CB-CE2 4.11Å; I388-Y390 HydrophobicContact CG2-CD1 4.49Å; I388-Y390 HydrophobicContact CG2-CE1 3.91Å; I388-Y390 HydrophobicContact CG2-CE2 3.99Å; I388-Y390 WeakPolarHBondContact O-CD2 3.38Å; I388-Y390 VanDerWaalsContact O-CE2 3.27Å; I388-Y390 WeakPolarHBondContact O-CE2 3.34Å |
| 389 | M | 89.6 | Confident | 80.3 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.2 | 177 | -169.5 | -177.9 | -54.2 | 0 | 0 | 110.7 | N392 H561 N564 F565 | M389-N392 PolarHBondContact SD-ND2 3.06Å; M389-N392 PolarHBondContact SD-OD1 2.84Å; M389-H561 HydrophobicContact CE-CB 3.59Å; M389-H561 WeakPolarHBondContact CE-CD2 2.89Å; M389-H561 PolarHBondContact N-CE1 2.96Å; M389-N564 HydrophobicContact CE-CB 4.23Å; M389-F565 HydrophobicContact CE-CE1 4.16Å; M389-F565 HydrophobicContact CE-CZ 4.46Å; M389-F565 HydrophobicContact CG-CE1 3.79Å; M389-F565 HydrophobicContact CG-CZ 3.83Å; M389-F565 HydrophobicContact SD-CE1 3.65Å; M389-F565 HydrophobicContact SD-CZ 4.22Å |
| 390 | Y | 89.8 | Confident | 79.8 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.8 | 175.4 | -54.4 | -85.7 | 0 | 0 | 0 | 110.4 | C383 I385 I388 D402 N404 L405 K408 | C383-Y390 PolarHBondContact N-O 3.06Å; C383-Y390 PolarHBondContact O-N 3.01Å; I385-Y390 HydrophobicContact CB-CD2 4.48Å; I385-Y390 HydrophobicContact CB-CE2 3.85Å; I385-Y390 HydrophobicContact CD1-CD2 4.47Å; I385-Y390 HydrophobicContact CD1-CE2 4.38Å; I385-Y390 HydrophobicContact CG1-CD2 4.38Å; I385-Y390 HydrophobicContact CG1-CE2 4.21Å; I388-Y390 HydrophobicContact CB-CE2 4.11Å; I388-Y390 HydrophobicContact CG2-CD1 4.49Å; I388-Y390 HydrophobicContact CG2-CE1 3.91Å; I388-Y390 HydrophobicContact CG2-CE2 3.99Å; I388-Y390 WeakPolarHBondContact O-CD2 3.38Å; I388-Y390 VanDerWaalsContact O-CE2 3.27Å; I388-Y390 WeakPolarHBondContact O-CE2 3.34Å; Y390-D402 WeakPolarHBondContact CA-OD2 3.45Å; Y390-N404 HydrophobicContact CE1-CB 4.4Å; Y390-L405 HydrophobicContact CD1-CB 3.65Å; Y390-L405 HydrophobicContact CD1-CD1 4.17Å; Y390-L405 HydrophobicContact CD1-CG 4.41Å; Y390-L405 HydrophobicContact CD2-CD1 4.17Å; Y390-L405 HydrophobicContact CE1-CB 4.04Å; Y390-L405 HydrophobicContact CE1-CD1 4.11Å; Y390-L405 HydrophobicContact CE2-CD1 4.15Å; Y390-L405 HydrophobicContact CG-CB 4.13Å; Y390-L405 HydrophobicContact CG-CD1 4.19Å; Y390-K408 HydrophobicContact CE1-CD 4.37Å; Y390-K408 WeakPolarHBondContact OH-CD 3.41Å; Y390-K408 WeakPolarHBondContact OH-CE 3.45Å; Y390-K408 PolarHBondContact OH-NZ 3.36Å; Y390-K408 VanDerWaalsContact OH-NZ 3.1Å |
| 391 | G | 81 | Confident | 79.2 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | 89.2 | 29.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R382 G393 D402 | R382-G391 PolarHBondContact NE-O 2.78Å; G391-G393 PolarHBondContact O-N 3.09Å; G391-D402 PolarHBondContact N-OD2 3.49Å | ||
| 392 | N | 70.3 | Confident | 78.8 | Confident | 88 Ų | 88 | 46.2 Ų | 46.2 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | trans | -90.1 | 17.4 | -175.9 | -99.5 | -5.7 | 0 | 0 | 0 | 115.6 | M389 | M389-N392 PolarHBondContact SD-ND2 3.06Å; M389-N392 PolarHBondContact SD-OD1 2.84Å | ||
| 393 | G | 64.1 | Low | 78.3 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -74.3 | -137.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | G391 S397 | G391-G393 PolarHBondContact O-N 3.09Å; G393-S397 VanDerWaalsContact CA-OG 3.29Å; G393-S397 WeakPolarHBondContact CA-OG 3.43Å |
| 394 | T | 61.8 | Low | 77.9 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 61% | 0.613 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -60.5 | 165.1 | 170.2 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | D396 S397 | T394-D396 PolarHBondContact O-N 3.41Å; T394-S397 PolarHBondContact N-OG 2.87Å; T394-S397 VanDerWaalsContact O-CB 3.31Å; T394-S397 WeakPolarHBondContact O-CB 3.24Å; T394-S397 PolarHBondContact O-N 2.76Å; T394-S397 PolarHBondContact O-OG 3.09Å; T394-S397 PolarHBondContact OG1-OG 3.27Å |
| 395 | E | 58.8 | Low | 77.5 | Confident | 181 Ų | 181 | 54.7 Ų | 54.7 | 85% | 0.846 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.4 | 176.8 | -68.6 | -177.3 | 164.9 | 0 | 0 | 112.5 | ||
| 396 | D | 60.9 | Low | 77 | Confident | 133 Ų | 133 | 56.4 Ų | 56.4 | 71% | 0.711 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -7.5 | 177.6 | -67.8 | -35.3 | 0 | 0 | 0 | 115 | K381 T394 N398 | K381-D396 VanDerWaalsContact NZ-C 3.31Å; K381-D396 PolarHBondContact NZ-O 2.89Å; T394-D396 PolarHBondContact O-N 3.41Å; D396-N398 PolarHBondContact O-N 3.49Å |
| 397 | S | 61.3 | Low | 76.7 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | trans | -66.4 | 126.9 | -174.8 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | K381 G393 T394 | K381-S397 WeakPolarHBondContact CE-O 3.19Å; G393-S397 VanDerWaalsContact CA-OG 3.29Å; G393-S397 WeakPolarHBondContact CA-OG 3.43Å; T394-S397 PolarHBondContact N-OG 2.87Å; T394-S397 VanDerWaalsContact O-CB 3.31Å; T394-S397 WeakPolarHBondContact O-CB 3.24Å; T394-S397 PolarHBondContact O-N 2.76Å; T394-S397 PolarHBondContact O-OG 3.09Å; T394-S397 PolarHBondContact OG1-OG 3.27Å | ||
| 398 | N | 73.5 | Confident | 76.7 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | trans | -95.3 | 138.3 | 177.3 | -78.2 | -16.6 | 0 | 0 | 0 | 110.9 | E379 K381 D396 L400 E401 | E379-N398 PolarHBondContact OE1-ND2 2.97Å; K381-N398 VanDerWaalsContact CD-OD1 3.22Å; K381-N398 WeakPolarHBondContact CD-OD1 3.41Å; K381-N398 WeakPolarHBondContact CE-OD1 3.42Å; K381-N398 PolarHBondContact NZ-OD1 3.21Å; D396-N398 PolarHBondContact O-N 3.49Å; N398-L400 PolarHBondContact O-N 3.01Å; N398-E401 HydrophobicContact CB-CG 4.25Å; N398-E401 PolarHBondContact O-N 3.29Å | ||
| 399 | A | 72.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -61.2 | -26.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F380 K381 E401 D402 L405 | F380-A399 HydrophobicContact CE1-CB 4.39Å; K381-A399 WeakPolarHBondContact O-CB 3.04Å; K381-A399 PolarHBondContact O-N 3.24Å; A399-E401 PolarHBondContact O-N 2.94Å; A399-D402 VanDerWaalsContact O-CB 3.27Å; A399-D402 WeakPolarHBondContact O-CB 3.41Å; A399-D402 PolarHBondContact O-N 3.01Å; A399-L405 WeakPolarHBondContact O-CD2 3.4Å |
| 400 | L | 76.2 | Confident | 76 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -68.4 | -20.7 | 175.9 | -60.2 | 174.9 | 0 | 0 | 0 | 112.8 | F380 N398 A480 T483 M484 | F380-L400 HydrophobicContact CD1-CD2 4.22Å; F380-L400 HydrophobicContact CD1-CG 4.2Å; F380-L400 HydrophobicContact CE1-CD2 4.46Å; N398-L400 PolarHBondContact O-N 3.01Å; L400-A480 HydrophobicContact CD1-CB 4.3Å; L400-A480 HydrophobicContact CD2-CB 4.27Å; L400-T483 HydrophobicContact CD1-CG2 4.32Å; L400-M484 HydrophobicContact CD2-CG 3.61Å; L400-M484 HydrophobicContact CD2-SD 3.75Å |
| 401 | E | 78.5 | Confident | 75.7 | Confident | 131 Ų | 131 | 67.8 Ų | 67.8 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -96 | -3.2 | 177 | -63.5 | 170.3 | -164.2 | 0 | 0 | 112.1 | N398 A399 Q403 | N398-E401 HydrophobicContact CB-CG 4.25Å; N398-E401 PolarHBondContact O-N 3.29Å; A399-E401 PolarHBondContact O-N 2.94Å; E401-Q403 PolarHBondContact O-N 3.31Å; E401-Q403 VanDerWaalsContact O-N 3.16Å |
| 402 | D | 79.7 | Confident | 75.6 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 18% | 0.176 | 40% | 0.396 | C | S | . | . | trans | -70.3 | 110.9 | -178.5 | -165.7 | -30.7 | 0 | 0 | 0 | 110.5 | Y390 G391 A399 N404 L405 I406 | Y390-D402 WeakPolarHBondContact CA-OD2 3.45Å; G391-D402 PolarHBondContact N-OD2 3.49Å; A399-D402 VanDerWaalsContact O-CB 3.27Å; A399-D402 WeakPolarHBondContact O-CB 3.41Å; A399-D402 PolarHBondContact O-N 3.01Å; D402-N404 PolarHBondContact O-N 3Å; D402-N404 VanDerWaalsContact O-N 3.13Å; D402-N404 WeakPolarHBondContact OD1-CB 3.04Å; D402-N404 PolarHBondContact OD1-N 2.78Å; D402-L405 HydrophobicContact CB-CB 4.3Å; D402-L405 WeakPolarHBondContact O-CB 3.28Å; D402-L405 PolarHBondContact O-N 2.98Å; D402-I406 PolarHBondContact O-N 2.85Å; D402-I406 VanDerWaalsContact O-N 3.16Å | ||
| 403 | Q | 81.5 | Confident | 76.4 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.4 | -30.8 | -179.7 | -68.1 | -65 | -27.8 | 0 | 0 | 112.5 | E401 I406 N407 | E401-Q403 PolarHBondContact O-N 3.31Å; E401-Q403 VanDerWaalsContact O-N 3.16Å; Q403-I406 PolarHBondContact O-N 3.3Å; Q403-N407 VanDerWaalsContact O-CB 3.27Å; Q403-N407 WeakPolarHBondContact O-CB 2.98Å; Q403-N407 PolarHBondContact O-N 3.39Å; Q403-N407 PolarHBondContact O-ND2 2.89Å; Q403-N407 VanDerWaalsContact O-ND2 3.1Å |
| 404 | N | 83.6 | Confident | 77.6 | Confident | 107 Ų | 107 | 70.4 Ų | 70.4 | 57% | 0.572 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68 | -38 | 178.3 | -66.2 | -43.4 | 0 | 0 | 0 | 112 | Y390 D402 K408 | Y390-N404 HydrophobicContact CE1-CB 4.4Å; D402-N404 PolarHBondContact O-N 3Å; D402-N404 VanDerWaalsContact O-N 3.13Å; D402-N404 WeakPolarHBondContact OD1-CB 3.04Å; D402-N404 PolarHBondContact OD1-N 2.78Å; N404-K408 WeakPolarHBondContact O-CG 3.44Å; N404-K408 PolarHBondContact O-N 3.07Å |
| 405 | L | 84.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.4 | -45.7 | 177.4 | -176.5 | 61.4 | 0 | 0 | 0 | 110.6 | I385 Y390 A399 D402 N407 K408 L409 V416 F420 M484 | I385-L405 HydrophobicContact CD1-CD1 3.94Å; Y390-L405 HydrophobicContact CD1-CB 3.65Å; Y390-L405 HydrophobicContact CD1-CD1 4.17Å; Y390-L405 HydrophobicContact CD1-CG 4.41Å; Y390-L405 HydrophobicContact CD2-CD1 4.17Å; Y390-L405 HydrophobicContact CE1-CB 4.04Å; Y390-L405 HydrophobicContact CE1-CD1 4.11Å; Y390-L405 HydrophobicContact CE2-CD1 4.15Å; Y390-L405 HydrophobicContact CG-CB 4.13Å; Y390-L405 HydrophobicContact CG-CD1 4.19Å; A399-L405 WeakPolarHBondContact O-CD2 3.4Å; D402-L405 HydrophobicContact CB-CB 4.3Å; D402-L405 WeakPolarHBondContact O-CB 3.28Å; D402-L405 PolarHBondContact O-N 2.98Å; L405-N407 VanDerWaalsContact C-N 3.31Å; L405-N407 PolarHBondContact O-N 3.33Å; L405-K408 PolarHBondContact O-N 3.27Å; L405-L409 WeakPolarHBondContact O-CB 3.48Å; L405-L409 PolarHBondContact O-N 3.44Å; L405-V416 HydrophobicContact CD1-CG1 3.95Å; L405-V416 HydrophobicContact CD1-CG2 4.43Å; L405-F420 HydrophobicContact CD1-CE2 4.31Å; L405-F420 HydrophobicContact CD2-CE2 4.37Å; L405-F420 HydrophobicContact CD2-CZ 4.12Å; L405-M484 HydrophobicContact CD2-CE 3.82Å; L405-M484 HydrophobicContact CG-CE 3.83Å |
| 406 | I | 83 | Confident | 80.4 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 20% | 0.195 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 177 | -62.3 | 169.3 | 0 | 0 | 0 | 110.2 | D402 Q403 K408 L409 N410 | D402-I406 PolarHBondContact O-N 2.85Å; D402-I406 VanDerWaalsContact O-N 3.16Å; Q403-I406 PolarHBondContact O-N 3.3Å; I406-K408 PolarHBondContact O-N 2.97Å; I406-L409 WeakPolarHBondContact O-CB 3.32Å; I406-L409 PolarHBondContact O-N 3.03Å; I406-N410 WeakPolarHBondContact O-CB 3.17Å; I406-N410 VanDerWaalsContact O-CG 3.24Å; I406-N410 PolarHBondContact O-N 3.17Å; I406-N410 PolarHBondContact O-ND2 3.39Å |
| 407 | N | 84.1 | Confident | 81.8 | Confident | 93 Ų | 93 | 54.7 Ų | 54.7 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.4 | -73 | -22.9 | 0 | 0 | 0 | 112.5 | Q403 L405 N410 A411 | Q403-N407 VanDerWaalsContact O-CB 3.27Å; Q403-N407 WeakPolarHBondContact O-CB 2.98Å; Q403-N407 PolarHBondContact O-N 3.39Å; Q403-N407 PolarHBondContact O-ND2 2.89Å; Q403-N407 VanDerWaalsContact O-ND2 3.1Å; L405-N407 VanDerWaalsContact C-N 3.31Å; L405-N407 PolarHBondContact O-N 3.33Å; N407-N410 PolarHBondContact O-N 3.41Å; N407-A411 WeakPolarHBondContact O-CB 3.38Å; N407-A411 PolarHBondContact O-N 2.99Å |
| 408 | K | 85 | Confident | 83.2 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 27% | 0.265 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 175.5 | -80 | -175.7 | 163.5 | -151.3 | 0 | 113 | Y390 N404 L405 I406 A411 G412 D413 V416 | Y390-K408 HydrophobicContact CE1-CD 4.37Å; Y390-K408 WeakPolarHBondContact OH-CD 3.41Å; Y390-K408 WeakPolarHBondContact OH-CE 3.45Å; Y390-K408 PolarHBondContact OH-NZ 3.36Å; Y390-K408 VanDerWaalsContact OH-NZ 3.1Å; N404-K408 WeakPolarHBondContact O-CG 3.44Å; N404-K408 PolarHBondContact O-N 3.07Å; L405-K408 PolarHBondContact O-N 3.27Å; I406-K408 PolarHBondContact O-N 2.97Å; K408-A411 PolarHBondContact O-N 3.38Å; K408-G412 PolarHBondContact O-N 2.63Å; K408-D413 HydrophobicContact CB-CB 4.18Å; K408-D413 IonicContact NZ-OD2 2.65Å; K408-D413 WeakPolarHBondContact O-CB 3.45Å; K408-D413 PolarHBondContact O-N 3.15Å; K408-V416 HydrophobicContact CB-CG2 4.29Å |
| 409 | L | 83.3 | Confident | 84.2 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 174.9 | -169.9 | 73.3 | 0 | 0 | 0 | 110.2 | L405 I406 A411 G412 V416 F420 M484 Y486 R501 | L405-L409 WeakPolarHBondContact O-CB 3.48Å; L405-L409 PolarHBondContact O-N 3.44Å; I406-L409 WeakPolarHBondContact O-CB 3.32Å; I406-L409 PolarHBondContact O-N 3.03Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 3.45Å; L409-G412 PolarHBondContact O-N 3.18Å; L409-V416 HydrophobicContact CB-CG1 4.48Å; L409-V416 HydrophobicContact CD1-CG1 3.77Å; L409-F420 HydrophobicContact CD1-CD2 4.42Å; L409-M484 HydrophobicContact CD2-CB 4.33Å; L409-M484 HydrophobicContact CD2-CE 3.87Å; L409-M484 WeakPolarHBondContact CD2-O 3.1Å; L409-Y486 HydrophobicContact CD1-CE2 3.83Å; L409-Y486 WeakPolarHBondContact CD1-OH 3.49Å; L409-R501 PolarHBondContact O-NH1 3.23Å; L409-R501 PolarHBondContact O-NH2 3.05Å |
| 410 | N | 81.9 | Confident | 85.2 | Confident | 117 Ų | 117 | 54.6 Ų | 54.6 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62 | -34.9 | 176.4 | -70.7 | -23.8 | 0 | 0 | 0 | 112.4 | I406 N407 G412 | I406-N410 WeakPolarHBondContact O-CB 3.17Å; I406-N410 VanDerWaalsContact O-CG 3.24Å; I406-N410 PolarHBondContact O-N 3.17Å; I406-N410 PolarHBondContact O-ND2 3.39Å; N407-N410 PolarHBondContact O-N 3.41Å; N410-G412 PolarHBondContact O-N 3.4Å |
| 411 | A | 84.5 | Confident | 86 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 70% | 0.702 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N407 K408 L409 | N407-A411 WeakPolarHBondContact O-CB 3.38Å; N407-A411 PolarHBondContact O-N 2.99Å; K408-A411 PolarHBondContact O-N 3.38Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 3.45Å |
| 412 | G | 79.8 | Confident | 86.7 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 33 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K408 L409 N410 L414 | K408-G412 PolarHBondContact O-N 2.63Å; L409-G412 PolarHBondContact O-N 3.18Å; N410-G412 PolarHBondContact O-N 3.4Å; G412-L414 PolarHBondContact O-N 3.12Å |
| 413 | D | 86.6 | Confident | 87.3 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | trans | -56.7 | 118.5 | 175.1 | -172.2 | -16 | 0 | 0 | 0 | 110.6 | K408 L415 V416 D417 | K408-D413 HydrophobicContact CB-CB 4.18Å; K408-D413 IonicContact NZ-OD2 2.65Å; K408-D413 WeakPolarHBondContact O-CB 3.45Å; K408-D413 PolarHBondContact O-N 3.15Å; D413-L415 VanDerWaalsContact C-N 3.28Å; D413-L415 PolarHBondContact O-N 3.17Å; D413-L415 PolarHBondContact OD1-N 3.11Å; D413-L415 VanDerWaalsContact OD1-N 3.16Å; D413-V416 HydrophobicContact CB-CB 4.23Å; D413-V416 HydrophobicContact CB-CG2 3.98Å; D413-V416 PolarHBondContact O-N 3.3Å; D413-D417 PolarHBondContact O-N 3.19Å | ||
| 414 | L | 88.3 | Confident | 87.8 | Confident | 112 Ų | 112 | 41.6 Ų | 41.6 | 59% | 0.586 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.9 | -36.4 | -174.7 | -174.2 | 70.1 | 0 | 0 | 0 | 112 | G412 D417 Q418 | G412-L414 PolarHBondContact O-N 3.12Å; L414-D417 PolarHBondContact O-N 3.15Å; L414-Q418 WeakPolarHBondContact O-CB 3.15Å; L414-Q418 VanDerWaalsContact O-CG 3.3Å; L414-Q418 WeakPolarHBondContact O-CG 3.2Å; L414-Q418 PolarHBondContact O-N 3.4Å |
| 415 | L | 90.1 | Very high | 88.3 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 27% | 0.272 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.5 | -39.6 | -179.4 | -68.6 | 175.5 | 0 | 0 | 0 | 111.3 | D413 F419 F554 L620 | D413-L415 VanDerWaalsContact C-N 3.28Å; D413-L415 PolarHBondContact O-N 3.17Å; D413-L415 PolarHBondContact OD1-N 3.11Å; D413-L415 VanDerWaalsContact OD1-N 3.16Å; L415-F419 VanDerWaalsContact O-CB 3.28Å; L415-F419 WeakPolarHBondContact O-CB 3.44Å; L415-F419 PolarHBondContact O-N 3.43Å; L415-F554 HydrophobicContact CD1-CE2 4.06Å; L415-F554 HydrophobicContact CD1-CZ 4.24Å; L415-L620 HydrophobicContact CD2-CD2 3.84Å |
| 416 | V | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.8 | -41.7 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | I385 L405 K408 L409 D413 F419 F420 | I385-V416 HydrophobicContact CG2-CG2 4.15Å; L405-V416 HydrophobicContact CD1-CG1 3.95Å; L405-V416 HydrophobicContact CD1-CG2 4.43Å; K408-V416 HydrophobicContact CB-CG2 4.29Å; L409-V416 HydrophobicContact CB-CG1 4.48Å; L409-V416 HydrophobicContact CD1-CG1 3.77Å; D413-V416 HydrophobicContact CB-CB 4.23Å; D413-V416 HydrophobicContact CB-CG2 3.98Å; D413-V416 PolarHBondContact O-N 3.3Å; V416-F419 PolarHBondContact O-N 3.44Å; V416-F420 HydrophobicContact CG1-CD2 3.74Å; V416-F420 HydrophobicContact CG1-CE2 3.73Å; V416-F420 WeakPolarHBondContact O-CD2 3.49Å; V416-F420 PolarHBondContact O-N 3.23Å; V416-F420 VanDerWaalsContact O-N 3.09Å |
| 417 | D | 90.5 | Very high | 89 | Confident | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.171 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.2 | -170 | 68.1 | 0 | 0 | 0 | 112 | D413 L414 T421 Y486 | D413-D417 PolarHBondContact O-N 3.19Å; L414-D417 PolarHBondContact O-N 3.15Å; D417-T421 VanDerWaalsContact O-CB 3.25Å; D417-T421 WeakPolarHBondContact O-CB 3.49Å; D417-T421 PolarHBondContact O-N 3.2Å; D417-T421 PolarHBondContact O-OG1 3.27Å; D417-Y486 WeakPolarHBondContact CA-OH 3.28Å; D417-Y486 WeakPolarHBondContact OD1-CE1 3.38Å; D417-Y486 PolarHBondContact OD1-OH 3.37Å |
| 418 | Q | 90.8 | Very high | 89.1 | Confident | 51 Ų | 51 | 30.7 Ų | 30.7 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.7 | -75.4 | 179.3 | -4.5 | 0 | 0 | 112.1 | L414 T421 I422 L620 | L414-Q418 WeakPolarHBondContact O-CB 3.15Å; L414-Q418 VanDerWaalsContact O-CG 3.3Å; L414-Q418 WeakPolarHBondContact O-CG 3.2Å; L414-Q418 PolarHBondContact O-N 3.4Å; Q418-T421 PolarHBondContact O-N 3.24Å; Q418-I422 WeakPolarHBondContact O-CG1 3.43Å; Q418-I422 PolarHBondContact O-N 3.04Å; Q418-L620 HydrophobicContact CB-CD1 4.26Å; Q418-L620 HydrophobicContact CB-CD2 4.4Å |
| 419 | F | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -52.8 | 179.6 | -175.8 | -93.9 | 0 | 0 | 0 | 112 | F380 C383 I385 L415 V416 T421 I422 L423 I575 L620 T623 | F380-F419 HydrophobicContact CZ-CE1 4.49Å; C383-F419 HydrophobicContact CB-CE1 4.38Å; C383-F419 HydrophobicContact CB-CZ 4.25Å; I385-F419 HydrophobicContact CD1-CB 4.41Å; I385-F419 HydrophobicContact CD1-CD1 3.49Å; I385-F419 VanDerWaalsContact CD1-CD1 3.49Å; I385-F419 HydrophobicContact CD1-CE1 3.75Å; I385-F419 HydrophobicContact CD1-CG 3.93Å; I385-F419 HydrophobicContact CD1-CZ 4.38Å; I385-F419 HydrophobicContact CG1-CD1 3.86Å; I385-F419 HydrophobicContact CG1-CD2 4.09Å; I385-F419 HydrophobicContact CG1-CE1 3.9Å; I385-F419 HydrophobicContact CG1-CE2 4.13Å; I385-F419 HydrophobicContact CG1-CG 3.93Å; I385-F419 HydrophobicContact CG1-CZ 4.01Å; I385-F419 HydrophobicContact CG2-CB 4.08Å; I385-F419 HydrophobicContact CG2-CD2 4.44Å; I385-F419 HydrophobicContact CG2-CG 4.24Å; L415-F419 VanDerWaalsContact O-CB 3.28Å; L415-F419 WeakPolarHBondContact O-CB 3.44Å; L415-F419 PolarHBondContact O-N 3.43Å; V416-F419 PolarHBondContact O-N 3.44Å; F419-T421 VanDerWaalsContact C-N 3.34Å; F419-T421 PolarHBondContact O-N 2.91Å; F419-I422 PolarHBondContact O-N 3.42Å; F419-L423 HydrophobicContact CD1-CD1 4.1Å; F419-L423 HydrophobicContact CE1-CD1 3.7Å; F419-L423 HydrophobicContact CE1-CG 4.38Å; F419-L423 HydrophobicContact CZ-CD1 4.42Å; F419-L423 WeakPolarHBondContact O-CG 3.44Å; F419-L423 PolarHBondContact O-N 2.79Å; F419-L423 VanDerWaalsContact O-N 3.15Å; F419-I575 HydrophobicContact CD2-CB 4.24Å; F419-I575 HydrophobicContact CD2-CG1 4.4Å; F419-I575 HydrophobicContact CD2-CG2 4.36Å; F419-I575 HydrophobicContact CE2-CB 3.97Å; F419-I575 HydrophobicContact CE2-CG1 3.76Å; F419-I575 HydrophobicContact CZ-CG1 4.29Å; F419-L620 HydrophobicContact CD2-CB 4.32Å; F419-T623 HydrophobicContact CE1-CG2 4.19Å; F419-T623 HydrophobicContact CE2-CG2 4.36Å; F419-T623 HydrophobicContact CZ-CG2 3.53Å |
| 420 | F | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.8 | -29.9 | 178.9 | -76.4 | -67.5 | 0 | 0 | 0 | 113.2 | I385 L405 L409 V416 L423 A424 A481 M484 Y486 | I385-F420 HydrophobicContact CD1-CE2 4.28Å; L405-F420 HydrophobicContact CD1-CE2 4.31Å; L405-F420 HydrophobicContact CD2-CE2 4.37Å; L405-F420 HydrophobicContact CD2-CZ 4.12Å; L409-F420 HydrophobicContact CD1-CD2 4.42Å; V416-F420 HydrophobicContact CG1-CD2 3.74Å; V416-F420 HydrophobicContact CG1-CE2 3.73Å; V416-F420 WeakPolarHBondContact O-CD2 3.49Å; V416-F420 PolarHBondContact O-N 3.23Å; V416-F420 VanDerWaalsContact O-N 3.09Å; F420-L423 HydrophobicContact CD1-CD1 4.11Å; F420-L423 HydrophobicContact CE1-CD1 4.36Å; F420-L423 PolarHBondContact O-N 3.1Å; F420-A424 WeakPolarHBondContact O-CB 3.28Å; F420-A424 PolarHBondContact O-N 2.72Å; F420-A481 HydrophobicContact CD1-CB 4.43Å; F420-M484 HydrophobicContact CD1-CB 4.17Å; F420-M484 HydrophobicContact CD1-CG 4.23Å; F420-M484 HydrophobicContact CD2-CB 4.48Å; F420-M484 HydrophobicContact CE1-CB 4.08Å; F420-M484 HydrophobicContact CE1-CG 3.63Å; F420-M484 HydrophobicContact CE2-CB 4.39Å; F420-M484 HydrophobicContact CE2-CE 4.09Å; F420-M484 HydrophobicContact CE2-CG 4.17Å; F420-M484 HydrophobicContact CG-CB 4.39Å; F420-M484 HydrophobicContact CZ-CB 4.2Å; F420-M484 HydrophobicContact CZ-CE 4.11Å; F420-M484 HydrophobicContact CZ-CG 3.6Å; F420-Y486 HydrophobicContact CB-CD1 4.07Å; F420-Y486 HydrophobicContact CB-CD2 3.53Å; F420-Y486 HydrophobicContact CB-CE1 4.11Å; F420-Y486 HydrophobicContact CB-CE2 3.59Å; F420-Y486 HydrophobicContact CB-CG 3.83Å; F420-Y486 HydrophobicContact CD2-CE2 4.36Å; F420-Y486 HydrophobicContact CG-CD2 4.19Å; F420-Y486 HydrophobicContact CG-CE2 4.18Å |
| 421 | T | 92.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 22.2 Ų | 22.2 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 171.4 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | D417 Q418 F419 L423 A424 V425 I500 Y507 | D417-T421 VanDerWaalsContact O-CB 3.25Å; D417-T421 WeakPolarHBondContact O-CB 3.49Å; D417-T421 PolarHBondContact O-N 3.2Å; D417-T421 PolarHBondContact O-OG1 3.27Å; Q418-T421 PolarHBondContact O-N 3.24Å; F419-T421 VanDerWaalsContact C-N 3.34Å; F419-T421 PolarHBondContact O-N 2.91Å; T421-L423 VanDerWaalsContact C-N 3.34Å; T421-L423 PolarHBondContact O-N 3.04Å; T421-A424 PolarHBondContact O-N 3.38Å; T421-V425 HydrophobicContact CG2-CG2 4.31Å; T421-V425 WeakPolarHBondContact O-CB 3.23Å; T421-V425 VanDerWaalsContact O-CG2 3.31Å; T421-V425 WeakPolarHBondContact O-CG2 3.42Å; T421-V425 PolarHBondContact O-N 3.41Å; T421-V425 VanDerWaalsContact O-N 3.07Å; T421-I500 HydrophobicContact CG2-CD1 4.4Å; T421-Y507 HydrophobicContact CG2-CE1 4.18Å; T421-Y507 VanDerWaalsContact CG2-OH 3.27Å; T421-Y507 WeakPolarHBondContact CG2-OH 3.35Å |
| 422 | I | 93.4 | Very high | 89.1 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.8 | -68.1 | 169 | 0 | 0 | 0 | 111 | Q418 F419 A424 V425 C426 M536 I575 W577 L620 | Q418-I422 WeakPolarHBondContact O-CG1 3.43Å; Q418-I422 PolarHBondContact O-N 3.04Å; F419-I422 PolarHBondContact O-N 3.42Å; I422-A424 VanDerWaalsContact C-N 3.26Å; I422-A424 PolarHBondContact O-N 2.93Å; I422-V425 PolarHBondContact O-N 2.8Å; I422-C426 HydrophobicContact CG2-CB 3.92Å; I422-C426 VanDerWaalsContact O-CB 3.26Å; I422-C426 WeakPolarHBondContact O-CB 3.24Å; I422-C426 PolarHBondContact O-N 2.95Å; I422-M536 HydrophobicContact CB-SD 4.48Å; I422-M536 HydrophobicContact CD1-CG 4.49Å; I422-M536 HydrophobicContact CG1-CB 4.3Å; I422-M536 HydrophobicContact CG1-CE 4.28Å; I422-M536 HydrophobicContact CG1-CG 3.93Å; I422-M536 HydrophobicContact CG1-SD 3.87Å; I422-M536 HydrophobicContact CG2-CB 4.1Å; I422-I575 HydrophobicContact CB-CG2 4.1Å; I422-I575 HydrophobicContact CD1-CG2 4.03Å; I422-I575 HydrophobicContact CG2-CG2 3.62Å; I422-W577 HydrophobicContact CD1-CB 3.91Å; I422-W577 HydrophobicContact CD1-CG 4.35Å; I422-L620 HydrophobicContact CD1-CD1 3.25Å |
| 423 | L | 93.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.7 | -34.9 | 175.6 | -64.4 | -173.4 | 0 | 0 | 0 | 112.7 | F380 F419 F420 T421 H427 L477 A481 I575 T623 | F380-L423 HydrophobicContact CE2-CD1 4.22Å; F419-L423 HydrophobicContact CD1-CD1 4.1Å; F419-L423 HydrophobicContact CE1-CD1 3.7Å; F419-L423 HydrophobicContact CE1-CG 4.38Å; F419-L423 HydrophobicContact CZ-CD1 4.42Å; F419-L423 WeakPolarHBondContact O-CG 3.44Å; F419-L423 PolarHBondContact O-N 2.79Å; F419-L423 VanDerWaalsContact O-N 3.15Å; F420-L423 HydrophobicContact CD1-CD1 4.11Å; F420-L423 HydrophobicContact CE1-CD1 4.36Å; F420-L423 PolarHBondContact O-N 3.1Å; T421-L423 VanDerWaalsContact C-N 3.34Å; T421-L423 PolarHBondContact O-N 3.04Å; L423-H427 PolarHBondContact O-CD2 2.83Å; L423-L477 HydrophobicContact CD1-CD2 4.49Å; L423-L477 HydrophobicContact CD2-CB 4.36Å; L423-L477 HydrophobicContact CD2-CD1 4.26Å; L423-L477 HydrophobicContact CD2-CD2 3.99Å; L423-L477 HydrophobicContact CD2-CG 4.43Å; L423-A481 HydrophobicContact CB-CB 4.14Å; L423-I575 HydrophobicContact CD2-CD1 3.87Å; L423-I575 HydrophobicContact CD2-CG1 4.23Å; L423-T623 HydrophobicContact CD1-CG2 4.32Å; L423-T623 HydrophobicContact CD2-CG2 4.03Å |
| 424 | A | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -85.3 | -7.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | F420 T421 I422 H427 A481 V498 | F420-A424 WeakPolarHBondContact O-CB 3.28Å; F420-A424 PolarHBondContact O-N 2.72Å; T421-A424 PolarHBondContact O-N 3.38Å; I422-A424 VanDerWaalsContact C-N 3.26Å; I422-A424 PolarHBondContact O-N 2.93Å; A424-H427 VanDerWaalsContact C-CD2 3.5Å; A424-H427 PolarHBondContact O-NE2 3.31Å; A424-A481 HydrophobicContact CB-CB 4.02Å; A424-V498 HydrophobicContact CB-CG1 3.93Å; A424-V498 HydrophobicContact CB-CG2 4.35Å |
| 425 | V | 92.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -118.1 | -44 | -177.5 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | T421 I422 H427 V498 Y507 I509 V526 M536 | T421-V425 HydrophobicContact CG2-CG2 4.31Å; T421-V425 WeakPolarHBondContact O-CB 3.23Å; T421-V425 VanDerWaalsContact O-CG2 3.31Å; T421-V425 WeakPolarHBondContact O-CG2 3.42Å; T421-V425 PolarHBondContact O-N 3.41Å; T421-V425 VanDerWaalsContact O-N 3.07Å; I422-V425 PolarHBondContact O-N 2.8Å; V425-H427 VanDerWaalsContact C-N 3.35Å; V425-H427 PolarHBondContact O-N 3.33Å; V425-V498 HydrophobicContact CG2-CG2 3.89Å; V425-Y507 HydrophobicContact CG1-CD1 4.48Å; V425-Y507 HydrophobicContact CG1-CG 4.37Å; V425-Y507 HydrophobicContact CG2-CD1 4.27Å; V425-Y507 HydrophobicContact CG2-CD2 3.92Å; V425-Y507 HydrophobicContact CG2-CE1 4.45Å; V425-Y507 HydrophobicContact CG2-CE2 4.12Å; V425-Y507 HydrophobicContact CG2-CG 4.01Å; V425-I509 HydrophobicContact CG1-CD1 4.36Å; V425-V526 HydrophobicContact CG1-CG1 3.91Å; V425-M536 HydrophobicContact CB-SD 4.13Å; V425-M536 HydrophobicContact CG1-SD 3.99Å |
| 426 | C | 91.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -83.5 | 70.8 | -174.5 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | I422 V524 M536 K538 | I422-C426 HydrophobicContact CG2-CB 3.92Å; I422-C426 VanDerWaalsContact O-CB 3.26Å; I422-C426 WeakPolarHBondContact O-CB 3.24Å; I422-C426 PolarHBondContact O-N 2.95Å; C426-V524 HydrophobicContact CB-CG2 4.39Å; C426-M536 HydrophobicContact CB-CB 4.05Å; C426-K538 WeakPolarHBondContact O-CE 3.41Å; C426-K538 PolarHBondContact O-NZ 3.14Å |
| 427 | H | 90.4 | Very high | 81.3 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -157.8 | 169.9 | 179.5 | 63.6 | 74.6 | 0 | 0 | 0 | 113.5 | L423 A424 V425 V429 V478 F488 R491 | L423-H427 PolarHBondContact O-CD2 2.83Å; A424-H427 VanDerWaalsContact C-CD2 3.5Å; A424-H427 PolarHBondContact O-NE2 3.31Å; V425-H427 VanDerWaalsContact C-N 3.35Å; V425-H427 PolarHBondContact O-N 3.33Å; H427-V429 HydrophobicContact CB-CG2 4.15Å; H427-V429 VanDerWaalsContact ND1-CB 3.35Å; H427-V429 WeakPolarHBondContact ND1-CB 3.44Å; H427-V429 PolarHBondContact ND1-N 3.11Å; H427-V429 VanDerWaalsContact ND1-N 3.19Å; H427-V478 HydrophobicContact CB-CG2 4.12Å; H427-V478 WeakPolarHBondContact CD2-CG2 3.29Å; H427-F488 AromaticContact CE1-CD1 3.6Å; H427-F488 AromaticContact CE1-CE1 3.46Å; H427-F488 VanDerWaalsContact CE1-CE1 3.46Å; H427-F488 WeakPolarHBondContact CE1-CE1 3.39Å; H427-F488 AromaticContact CE1-CZ 3.72Å; H427-F488 AromaticContact NE2-CD1 3.96Å; H427-F488 AromaticContact NE2-CG 3.99Å; H427-R491 PolarHBondContact CE1-NH2 2.95Å; H427-R491 VanDerWaalsContact CE1-NH2 3.32Å; H427-R491 PolarHBondContact ND1-NH2 2.93Å; H427-R491 PolarHBondContact O-NH1 2.88Å; H427-R491 PolarHBondContact O-NH2 3.02Å |
| 428 | T | 85.9 | Confident | 78.7 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | trans | -99.3 | -8.6 | 177.3 | 73.1 | 0 | 0 | 0 | 0 | 113.6 | S470 E474 R491 M522 Q1133 I1137 | T428-S470 PolarHBondContact OG1-OG 3.28Å; T428-E474 PolarHBondContact N-OE2 3.48Å; T428-E474 PolarHBondContact OG1-OE2 2.59Å; T428-R491 PolarHBondContact O-NH1 3.48Å; T428-M522 HydrophobicContact CG2-CE 3.43Å; T428-M522 VanDerWaalsContact CG2-CE 3.43Å; T428-M522 HydrophobicContact CG2-SD 4.28Å; T428-Q1133 HydrophobicContact CG2-CB 4.15Å; T428-I1137 HydrophobicContact CG2-CD1 3.75Å | ||
| 429 | V | 86.7 | Confident | 76 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -49.6 | 137.7 | -179.7 | -171.6 | 0 | 0 | 0 | 0 | 113.7 | H427 Y467 Q468 A469 E474 V478 F488 R491 | H427-V429 HydrophobicContact CB-CG2 4.15Å; H427-V429 VanDerWaalsContact ND1-CB 3.35Å; H427-V429 WeakPolarHBondContact ND1-CB 3.44Å; H427-V429 PolarHBondContact ND1-N 3.11Å; H427-V429 VanDerWaalsContact ND1-N 3.19Å; V429-Y467 HydrophobicContact CG1-CD1 4Å; V429-Y467 HydrophobicContact CG1-CG 4.11Å; V429-Q468 CarbonylContact C-O 3.58Å; V429-Q468 VanDerWaalsContact CA-O 3.31Å; V429-Q468 WeakPolarHBondContact CA-O 3.42Å; V429-Q468 WeakPolarHBondContact CG1-O 3.41Å; V429-A469 HydrophobicContact CB-CB 4.41Å; V429-A469 HydrophobicContact CG1-CB 4.36Å; V429-A469 HydrophobicContact CG2-CB 3.72Å; V429-E474 HydrophobicContact CG2-CB 3.98Å; V429-V478 HydrophobicContact CB-CG2 4.3Å; V429-V478 HydrophobicContact CG2-CB 4.44Å; V429-V478 HydrophobicContact CG2-CG2 3.75Å; V429-F488 VanDerWaalsContact O-CE1 3.25Å; V429-F488 WeakPolarHBondContact O-CE1 3.49Å; V429-F488 WeakPolarHBondContact O-CZ 3.42Å; V429-R491 VanDerWaalsContact O-CZ 3.28Å; V429-R491 PolarHBondContact O-NE 2.8Å | ||
| 430 | V | 84.5 | Confident | 73.3 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.1 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | Q468 Y1140 | V430-Q468 PolarHBondContact N-O 3.44Å; V430-Q468 PolarHBondContact O-N 2.59Å; V430-Y1140 HydrophobicContact CG1-CD1 3.97Å; V430-Y1140 HydrophobicContact CG1-CE1 4.44Å; V430-Y1140 HydrophobicContact CG1-CG 4.4Å; V430-Y1140 HydrophobicContact CG2-CG 4.33Å |
| 431 | P | 86.9 | Confident | 70.4 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 5% | 0.045 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128 | 177.2 | 33 | -24.3 | 0 | 0 | 0 | 110 | I465 Y467 F488 T489 R491 | P431-I465 HydrophobicContact CB-CG2 3.68Å; P431-Y467 HydrophobicContact CB-CD1 4.31Å; P431-Y467 HydrophobicContact CB-CE1 4.18Å; P431-F488 HydrophobicContact CB-CD1 4.19Å; P431-F488 HydrophobicContact CB-CE1 3.87Å; P431-F488 HydrophobicContact CB-CZ 4.38Å; P431-F488 VanDerWaalsContact CD-CE1 3.41Å; P431-F488 VanDerWaalsContact CD-CZ 3.43Å; P431-F488 HydrophobicContact CG-CD1 4.25Å; P431-F488 HydrophobicContact CG-CE1 3.58Å; P431-F488 HydrophobicContact CG-CE2 4.2Å; P431-F488 HydrophobicContact CG-CZ 3.59Å; P431-T489 WeakPolarHBondContact CG-O 3.3Å; P431-R491 HydrophobicContact CG-CB 4.46Å |
| 432 | E | 77.2 | Confident | 67.7 | Low | 58 Ų | 58 | 67.7 Ų | 67.7 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.5 | 174.1 | -168.8 | 171.6 | -134 | 0 | 0 | 110.1 | I465 N466 Q468 K1146 | E432-I465 WeakPolarHBondContact O-CA 3.49Å; E432-N466 PolarHBondContact N-O 3.32Å; E432-N466 PolarHBondContact O-N 3.04Å; E432-Q468 VanDerWaalsContact CD-NE2 3.33Å; E432-Q468 PolarHBondContact OE2-NE2 3.25Å; E432-K1146 IonicContact OE1-NZ 2.72Å; E432-K1146 PolarHBondContact OE1-NZ 2.81Å |
| 433 | R | 73 | Confident | 64.8 | Low | 133 Ų | 133 | 74.3 Ų | 74.3 | 50% | 0.502 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 117.9 | 175.3 | -62.9 | -176.7 | -172.3 | -176 | 2.4 | 108.7 | V435 | R433-V435 PolarHBondContact O-N 2.79Å |
| 434 | S | 59.9 | Low | 61.9 | Low | 52 Ų | 52 | 80.8 Ų | 80.8 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | trans | -66.1 | 121.6 | 172.5 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | L464 | S434-L464 PolarHBondContact OG-O 3.46Š| ||
| 435 | V | 53.7 | Low | 59.1 | Low | 119 Ų | 119 | 88.4 Ų | 88.4 | 72% | 0.721 | 47% | 0.469 | S | S | * | . | trans | -91.9 | 99.9 | 171.9 | -174.9 | 0 | 0 | 0 | 0 | 107 | R433 E437 | R433-V435 PolarHBondContact O-N 2.79Å; V435-E437 HydrophobicContact CG1-CG 4.23Å; V435-E437 PolarHBondContact O-N 3.09Å; V435-E437 VanDerWaalsContact O-N 3.07Å | ||
| 436 | N | 42.3 | Very low | 56.2 | Low | 130 Ų | 130 | 96 Ų | 96 | 70% | 0.695 | 51% | 0.509 | S | S | * | . | trans | -70.8 | 99.7 | 169.7 | -91.3 | -5 | 0 | 0 | 0 | 108.9 | N438 | N436-N438 PolarHBondContact O-N 2.77Š| ||
| 437 | E | 41.6 | Very low | 53.6 | Low | 173 Ų | 173 | 103.1 Ų | 103.1 | 81% | 0.808 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 9.4 | 173.5 | -78.7 | -175 | 157.4 | 0 | 0 | 114 | V435 | V435-E437 HydrophobicContact CG1-CG 4.23Å; V435-E437 PolarHBondContact O-N 3.09Å; V435-E437 VanDerWaalsContact O-N 3.07Å |
| 438 | N | 36.4 | Very low | 50.7 | Low | 142 Ų | 142 | 109.2 Ų | 109.2 | 76% | 0.759 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 13.3 | -172.6 | -75.2 | -8.3 | 0 | 0 | 0 | 116.7 | N436 T440 | N436-N438 PolarHBondContact O-N 2.77Å; N438-T440 VanDerWaalsContact C-N 3.27Å; N438-T440 PolarHBondContact O-N 2.75Å |
| 439 | N | 35.3 | Very low | 48.1 | Very low | 159 Ų | 159 | 117.2 Ų | 117.2 | 85% | 0.85 | 62% | 0.621 | S | S | * | * | trans | -86.5 | 24 | 179.3 | -94 | 3.8 | 0 | 0 | 0 | 115.9 | ||||
| 440 | T | 35.4 | Very low | 45.4 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -121 | 82.9 | 163.4 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | N438 | N438-T440 VanDerWaalsContact C-N 3.27Å; N438-T440 PolarHBondContact O-N 2.75Å |
| 441 | N | 33 | Very low | 42.9 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 147.2 | 129.6 | 143.9 | -72.4 | -25.2 | 0 | 0 | 0 | 111.8 | ||
| 442 | N | 35.7 | Very low | 40.1 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | trans | 94.7 | 106 | 159.3 | -58.5 | -16.7 | 0 | 0 | 0 | 118.9 | ||||
| 443 | N | 31.9 | Very low | 37.9 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -49.6 | 155 | 156.4 | -63.3 | -39.2 | 0 | 0 | 0 | 113.1 | ||||
| 444 | N | 32.3 | Very low | 35.8 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 81.7 | 102.4 | 162.9 | -51.4 | -21.7 | 0 | 0 | 0 | 115.4 | ||||
| 445 | D | 35.7 | Very low | 34.5 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | -179.6 | 108.9 | 110.1 | -81 | -19.3 | 0 | 0 | 0 | 110.7 | |||||
| 446 | N | 31 | Very low | 33.4 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 130.8 | 167.5 | -74.6 | -40.6 | 0 | 0 | 0 | 108.9 | ||||
| 447 | I | 37.1 | Very low | 32.8 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -166 | 112.2 | 149.1 | -93.5 | 140.4 | 0 | 0 | 0 | 110.6 | ||||
| 448 | N | 29.7 | Very low | 32.3 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 57.2 | 100.5 | 141.3 | -52.5 | -15.9 | 0 | 0 | 0 | 121.4 | ||||
| 449 | N | 32.1 | Very low | 32.4 | Very low | 170 Ų | 170 | 143 Ų | 143 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -128.2 | 101.5 | 147.5 | -90.7 | -20.1 | 0 | 0 | 0 | 110.1 | ||||
| 450 | N | 28.4 | Very low | 32.4 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -100.4 | 94.2 | 168.7 | -82 | -18 | 0 | 0 | 0 | 108.9 | ||||
| 451 | V | 32.3 | Very low | 32.4 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -146.1 | 115.4 | 148.4 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 452 | A | 29.3 | Very low | 32.8 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -54.7 | 162.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 453 | V | 29.8 | Very low | 33.7 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 66% | 0.655 | 76% | 0.764 | S | S | * | * | cis | -176.1 | 156.4 | -3.5 | 144.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 454 | F | 28.7 | Very low | 35.2 | Very low | 160 Ų | 160 | 140 Ų | 140 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | 92.2 | 70.1 | 172 | -56.7 | -58.8 | 0 | 0 | 0 | 118.4 | ||||
| 455 | C | 33.5 | Very low | 37.4 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | S | Bend | -167 | 116.7 | 125.5 | -89.3 | 0 | 0 | 0 | 0 | 108.1 | D457 | C455-D457 PolarHBondContact O-N 2.91Š| |
| 456 | N | 30.8 | Very low | 39.6 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | trans | -19.7 | 106.8 | 178.7 | -71.5 | -17.8 | 0 | 0 | 0 | 117.8 | N458 | N456-N458 VanDerWaalsContact C-N 3.28Å; N456-N458 PolarHBondContact O-N 3.27Å | ||
| 457 | D | 28 | Very low | 42.2 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 17.3 | 34.6 | 132.8 | -69 | -18.6 | 0 | 0 | 0 | 122.4 | C455 | C455-D457 PolarHBondContact O-N 2.91Š|
| 458 | N | 31.6 | Very low | 44.2 | Very low | 153 Ų | 153 | 117 Ų | 117 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -140.5 | 14.9 | 169.2 | -89.9 | -33.7 | 0 | 0 | 0 | 116 | N456 | N456-N458 VanDerWaalsContact C-N 3.28Å; N456-N458 PolarHBondContact O-N 3.27Å | ||
| 459 | L | 39.5 | Very low | 46.5 | Very low | 117 Ų | 117 | 112.4 Ų | 112.4 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | trans | -95.9 | 14.7 | -179 | -113.1 | 91.6 | 0 | 0 | 0 | 115.8 | N461 | L459-N461 PolarHBondContact O-N 2.9Š| ||
| 460 | N | 34.2 | Very low | 48.2 | Very low | 157 Ų | 157 | 105.9 Ų | 105.9 | 84% | 0.84 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 4.4 | -173.8 | -74.8 | -12.5 | 0 | 0 | 0 | 115.6 | ||
| 461 | N | 36.2 | Very low | 50.5 | Low | 156 Ų | 156 | 98.3 Ų | 98.3 | 83% | 0.834 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 3.8 | 178.3 | -89.6 | -29.1 | 0 | 0 | 0 | 115.6 | L459 Q463 | L459-N461 PolarHBondContact O-N 2.9Å; N461-Q463 VanDerWaalsContact C-N 3.27Å; N461-Q463 PolarHBondContact O-N 3.43Å |
| 462 | E | 41.8 | Very low | 52.7 | Low | 98 Ų | 98 | 93.4 Ų | 93.4 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -85.5 | 77.7 | 174.1 | -71.7 | -176.6 | -167 | 0 | 0 | 109.5 | K499 | E462-K499 IonicContact OE1-NZ 2.73Å; E462-K499 PolarHBondContact OE1-NZ 3.18Å; E462-K499 IonicContact OE2-NZ 2.59Å; E462-K499 PolarHBondContact OE2-NZ 2.86Å |
| 463 | Q | 53.1 | Low | 55.3 | Low | 113 Ų | 113 | 89.5 Ų | 89.5 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | trans | -3.3 | 124.4 | 166.5 | -65.9 | 172.6 | -14 | 0 | 0 | 114.6 | N461 I465 | N461-Q463 VanDerWaalsContact C-N 3.27Å; N461-Q463 PolarHBondContact O-N 3.43Å; Q463-I465 WeakPolarHBondContact O-CG1 3.36Å; Q463-I465 PolarHBondContact O-N 2.82Å | ||
| 464 | L | 64.8 | Low | 58 | Low | 135 Ų | 135 | 84.3 Ų | 84.3 | 71% | 0.707 | 45% | 0.452 | S | S | * | . | trans | -49.8 | 96.5 | 173.1 | -88.3 | 113 | 0 | 0 | 0 | 110.9 | S434 N466 | S434-L464 PolarHBondContact OG-O 3.46Å; L464-N466 PolarHBondContact O-N 3.44Å | ||
| 465 | I | 78.2 | Confident | 60.8 | Low | 22 Ų | 22 | 77.3 Ų | 77.3 | 11% | 0.113 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 120.3 | 169.2 | -56.6 | -179.7 | 0 | 0 | 0 | 106.7 | P431 E432 Q463 Y467 R482 V487 T489 | P431-I465 HydrophobicContact CB-CG2 3.68Å; E432-I465 WeakPolarHBondContact O-CA 3.49Å; Q463-I465 WeakPolarHBondContact O-CG1 3.36Å; Q463-I465 PolarHBondContact O-N 2.82Å; I465-Y467 HydrophobicContact CG2-CD1 4.14Å; I465-Y467 HydrophobicContact CG2-CE1 3.75Å; I465-R482 PolarHBondContact O-NH1 2.6Å; I465-V487 HydrophobicContact CD1-CG1 4.42Å; I465-T489 HydrophobicContact CD1-CG2 4.26Å |
| 466 | N | 81.9 | Confident | 63.5 | Low | 85 Ų | 85 | 71.5 Ų | 71.5 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.9 | 171.2 | -167.6 | 17 | 0 | 0 | 0 | 109.1 | E432 L464 | E432-N466 PolarHBondContact N-O 3.32Å; E432-N466 PolarHBondContact O-N 3.04Å; L464-N466 PolarHBondContact O-N 3.44Å |
| 467 | Y | 85.1 | Confident | 66.4 | Low | 12 Ų | 12 | 64.3 Ų | 64.3 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 107 | -179.6 | -72.2 | -47.4 | 0 | 0 | 0 | 109.6 | V429 P431 I465 V478 K479 R482 F488 | V429-Y467 HydrophobicContact CG1-CD1 4Å; V429-Y467 HydrophobicContact CG1-CG 4.11Å; P431-Y467 HydrophobicContact CB-CD1 4.31Å; P431-Y467 HydrophobicContact CB-CE1 4.18Å; I465-Y467 HydrophobicContact CG2-CD1 4.14Å; I465-Y467 HydrophobicContact CG2-CE1 3.75Å; Y467-V478 HydrophobicContact CD1-CG1 4.14Å; Y467-V478 HydrophobicContact CD2-CG1 4Å; Y467-V478 HydrophobicContact CE1-CG1 4.08Å; Y467-V478 HydrophobicContact CE2-CG1 3.9Å; Y467-V478 HydrophobicContact CG-CG1 4.14Å; Y467-K479 HydrophobicContact CD2-CG 4.08Å; Y467-R482 HydrophobicContact CE2-CB 4.13Å; Y467-R482 HydrophobicContact CE2-CG 4.46Å; Y467-F488 AromaticContact CD1-CD1 3.96Å; Y467-F488 HydrophobicContact CD1-CD1 3.96Å; Y467-F488 HydrophobicContact CE1-CB 4.16Å; Y467-F488 AromaticContact CE1-CD1 3.57Å; Y467-F488 HydrophobicContact CE1-CD1 3.57Å; Y467-F488 HydrophobicContact CE1-CE1 4.44Å; Y467-F488 HydrophobicContact CE1-CG 4.28Å; Y467-F488 VanDerWaalsContact CE1-O 3.28Å; Y467-F488 WeakPolarHBondContact CE1-O 3.45Å; Y467-F488 PolarHBondContact OH-N 3.43Å; Y467-F488 PolarHBondContact OH-O 3.23Å |
| 468 | Q | 79.3 | Confident | 69.5 | Low | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.2 | 175.9 | -59.6 | -174.5 | -6.9 | 0 | 0 | 109.1 | N216 V429 V430 E432 | N216-Q468 VanDerWaalsContact CG-CD 3.49Å; V429-Q468 CarbonylContact C-O 3.58Å; V429-Q468 VanDerWaalsContact CA-O 3.31Å; V429-Q468 WeakPolarHBondContact CA-O 3.42Å; V429-Q468 WeakPolarHBondContact CG1-O 3.41Å; V430-Q468 PolarHBondContact N-O 3.44Å; V430-Q468 PolarHBondContact O-N 2.59Å; E432-Q468 VanDerWaalsContact CD-NE2 3.33Å; E432-Q468 PolarHBondContact OE2-NE2 3.25Å |
| 469 | A | 77.4 | Confident | 72.3 | Confident | 34 Ų | 34 | 55 Ų | 55 | 28% | 0.281 | 29% | 0.291 | S | S | . | . | trans | -131.4 | 147.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V429 S471 A475 | V429-A469 HydrophobicContact CB-CB 4.41Å; V429-A469 HydrophobicContact CG1-CB 4.36Å; V429-A469 HydrophobicContact CG2-CB 3.72Å; A469-S471 VanDerWaalsContact C-N 3.31Å; A469-S471 VanDerWaalsContact CB-O 3.27Å; A469-S471 WeakPolarHBondContact CB-O 3.33Å; A469-A475 HydrophobicContact CB-CB 3.81Å | ||
| 470 | S | 69.3 | Low | 74.7 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -76.9 | -22 | 168.4 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | T428 Q1133 | T428-S470 PolarHBondContact OG1-OG 3.28Å; S470-Q1133 PolarHBondContact OG-OE1 2.8Å |
| 471 | S | 75.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -118 | 126.7 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | A469 D473 E474 A475 S1124 | A469-S471 VanDerWaalsContact C-N 3.31Å; A469-S471 VanDerWaalsContact CB-O 3.27Å; A469-S471 WeakPolarHBondContact CB-O 3.33Å; S471-D473 PolarHBondContact O-N 3Å; S471-D473 PolarHBondContact OG-N 3.28Å; S471-E474 PolarHBondContact O-N 3.36Å; S471-E474 PolarHBondContact OG-N 3.22Å; S471-A475 PolarHBondContact O-N 3.2Å; S471-A475 VanDerWaalsContact O-N 3.13Å; S471-S1124 WeakPolarHBondContact CB-O 3.07Å; S471-S1124 PolarHBondContact OG-O 2.85Å | ||
| 472 | P | 79.3 | Confident | 80 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 28% | 0.279 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.7 | -26.7 | 175.4 | 29.5 | -35.4 | 0 | 0 | 0 | 112 | M378 A475 A476 | M378-P472 HydrophobicContact CB-CB 4.45Å; M378-P472 HydrophobicContact CE-CG 4.18Å; M378-P472 HydrophobicContact CG-CB 3.7Å; M378-P472 HydrophobicContact CG-CG 4.01Å; P472-A475 PolarHBondContact O-N 3.34Å; P472-A476 PolarHBondContact O-N 2.98Å |
| 473 | D | 83.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 173.9 | -59.9 | -38.2 | 0 | 0 | 0 | 109.8 | S471 A476 L477 R571 I625 F1123 S1124 | S471-D473 PolarHBondContact O-N 3Å; S471-D473 PolarHBondContact OG-N 3.28Å; D473-A476 WeakPolarHBondContact O-CB 3.4Å; D473-A476 PolarHBondContact O-N 2.75Å; D473-L477 WeakPolarHBondContact O-CG 3.47Å; D473-L477 PolarHBondContact O-N 3.03Å; D473-R571 IonicContact OD1-NH1 2.85Å; D473-R571 PolarHBondContact OD1-NH1 3.46Å; D473-R571 IonicContact OD2-NH1 3.87Å; D473-R571 PolarHBondContact OD2-NH1 3.28Å; D473-I625 HydrophobicContact CB-CD1 4.03Å; D473-F1123 HydrophobicContact CB-CD2 3.85Å; D473-F1123 HydrophobicContact CB-CE2 3.69Å; D473-S1124 PolarHBondContact OD2-N 2.75Å |
| 474 | E | 86.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 175 | -66.9 | -160.9 | 161.3 | 0 | 0 | 113.1 | T428 V429 S471 A476 L477 V478 K538 F1123 | T428-E474 PolarHBondContact N-OE2 3.48Å; T428-E474 PolarHBondContact OG1-OE2 2.59Å; V429-E474 HydrophobicContact CG2-CB 3.98Å; S471-E474 PolarHBondContact O-N 3.36Å; S471-E474 PolarHBondContact OG-N 3.22Å; E474-A476 VanDerWaalsContact C-N 3.26Å; E474-A476 PolarHBondContact O-N 2.87Å; E474-L477 PolarHBondContact O-N 2.97Å; E474-V478 WeakPolarHBondContact O-CG2 3.37Å; E474-V478 PolarHBondContact O-N 3.1Å; E474-K538 WeakPolarHBondContact OE1-CE 3.36Å; E474-K538 IonicContact OE1-NZ 3.79Å; E474-K538 PolarHBondContact OE1-NZ 3.41Å; E474-F1123 HydrophobicContact CG-CE2 4.31Å; E474-F1123 HydrophobicContact CG-CZ 3.78Å |
| 475 | A | 86.8 | Confident | 84.8 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | A469 S471 P472 K479 | A469-A475 HydrophobicContact CB-CB 3.81Å; S471-A475 PolarHBondContact O-N 3.2Å; S471-A475 VanDerWaalsContact O-N 3.13Å; P472-A475 PolarHBondContact O-N 3.34Å; A475-K479 VanDerWaalsContact O-CB 3.28Å; A475-K479 WeakPolarHBondContact O-CB 3.25Å; A475-K479 WeakPolarHBondContact O-CG 3.26Å; A475-K479 PolarHBondContact O-N 3.15Å |
| 476 | A | 89.6 | Confident | 85.4 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 5% | 0.05 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M378 P472 D473 E474 K479 A480 I625 | M378-A476 HydrophobicContact CB-CB 3.87Å; M378-A476 WeakPolarHBondContact O-CB 3.17Å; P472-A476 PolarHBondContact O-N 2.98Å; D473-A476 WeakPolarHBondContact O-CB 3.4Å; D473-A476 PolarHBondContact O-N 2.75Å; E474-A476 VanDerWaalsContact C-N 3.26Å; E474-A476 PolarHBondContact O-N 2.87Å; A476-K479 PolarHBondContact O-N 3.48Å; A476-A480 WeakPolarHBondContact O-CB 3.28Å; A476-A480 PolarHBondContact O-N 2.76Å; A476-I625 HydrophobicContact CB-CG2 4.32Å |
| 477 | L | 92.5 | Very high | 85.8 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 176.4 | -66.8 | 177.6 | 0 | 0 | 0 | 112.3 | F380 L423 D473 E474 A480 A481 K538 L573 T623 I625 | F380-L477 HydrophobicContact CD2-CD2 3.93Å; F380-L477 HydrophobicContact CE2-CD2 4Å; L423-L477 HydrophobicContact CD1-CD2 4.49Å; L423-L477 HydrophobicContact CD2-CB 4.36Å; L423-L477 HydrophobicContact CD2-CD1 4.26Å; L423-L477 HydrophobicContact CD2-CD2 3.99Å; L423-L477 HydrophobicContact CD2-CG 4.43Å; D473-L477 WeakPolarHBondContact O-CG 3.47Å; D473-L477 PolarHBondContact O-N 3.03Å; E474-L477 PolarHBondContact O-N 2.97Å; L477-A480 WeakPolarHBondContact O-CB 3.33Å; L477-A480 PolarHBondContact O-N 2.62Å; L477-A481 PolarHBondContact O-N 2.78Å; L477-K538 HydrophobicContact CD1-CD 4.49Å; L477-L573 HydrophobicContact CD1-CD1 4.01Å; L477-T623 HydrophobicContact CD2-CG2 3.8Å; L477-I625 HydrophobicContact CD2-CD1 3.82Å; L477-I625 HydrophobicContact CD2-CG1 4.32Å; L477-I625 HydrophobicContact CG-CD1 3.96Å |
| 478 | V | 92.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | -179.8 | 177 | 0 | 0 | 0 | 0 | 111.3 | H427 V429 Y467 E474 A480 A481 R482 F488 | H427-V478 HydrophobicContact CB-CG2 4.12Å; H427-V478 WeakPolarHBondContact CD2-CG2 3.29Å; V429-V478 HydrophobicContact CB-CG2 4.3Å; V429-V478 HydrophobicContact CG2-CB 4.44Å; V429-V478 HydrophobicContact CG2-CG2 3.75Å; Y467-V478 HydrophobicContact CD1-CG1 4.14Å; Y467-V478 HydrophobicContact CD2-CG1 4Å; Y467-V478 HydrophobicContact CE1-CG1 4.08Å; Y467-V478 HydrophobicContact CE2-CG1 3.9Å; Y467-V478 HydrophobicContact CG-CG1 4.14Å; E474-V478 WeakPolarHBondContact O-CG2 3.37Å; E474-V478 PolarHBondContact O-N 3.1Å; V478-A480 VanDerWaalsContact C-N 3.34Å; V478-A481 PolarHBondContact O-N 3.41Å; V478-R482 PolarHBondContact O-N 3.3Å; V478-F488 HydrophobicContact CG1-CB 4.27Å; V478-F488 HydrophobicContact CG1-CD1 4.26Å |
| 479 | K | 90.7 | Very high | 86.5 | Confident | 112 Ų | 112 | 24.4 Ų | 24.4 | 49% | 0.487 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 172.8 | -76.5 | 173.7 | -177.7 | 178.2 | 0 | 111.4 | Y467 A475 A476 R482 T483 | Y467-K479 HydrophobicContact CD2-CG 4.08Å; A475-K479 VanDerWaalsContact O-CB 3.28Å; A475-K479 WeakPolarHBondContact O-CB 3.25Å; A475-K479 WeakPolarHBondContact O-CG 3.26Å; A475-K479 PolarHBondContact O-N 3.15Å; A476-K479 PolarHBondContact O-N 3.48Å; K479-R482 WeakPolarHBondContact O-CB 3.35Å; K479-R482 PolarHBondContact O-N 3.26Å; K479-T483 PolarHBondContact O-N 3.07Å; K479-T483 PolarHBondContact O-OG1 2.8Å; K479-T483 VanDerWaalsContact O-OG1 3.09Å |
| 480 | A | 90.5 | Very high | 87 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F380 L400 A476 L477 V478 R482 T483 M484 | F380-A480 HydrophobicContact CB-CB 3.63Å; F380-A480 HydrophobicContact CD1-CB 4.06Å; F380-A480 HydrophobicContact CD2-CB 3.84Å; F380-A480 HydrophobicContact CE2-CB 4.45Å; F380-A480 HydrophobicContact CG-CB 3.58Å; L400-A480 HydrophobicContact CD1-CB 4.3Å; L400-A480 HydrophobicContact CD2-CB 4.27Å; A476-A480 WeakPolarHBondContact O-CB 3.28Å; A476-A480 PolarHBondContact O-N 2.76Å; L477-A480 WeakPolarHBondContact O-CB 3.33Å; L477-A480 PolarHBondContact O-N 2.62Å; V478-A480 VanDerWaalsContact C-N 3.34Å; A480-R482 PolarHBondContact O-N 3.05Å; A480-T483 PolarHBondContact O-N 2.85Å; A480-M484 WeakPolarHBondContact O-CG 3.22Å; A480-M484 PolarHBondContact O-N 2.81Å |
| 481 | A | 91.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F420 L423 A424 L477 V478 T483 M484 G485 Y486 | F420-A481 HydrophobicContact CD1-CB 4.43Å; L423-A481 HydrophobicContact CB-CB 4.14Å; A424-A481 HydrophobicContact CB-CB 4.02Å; L477-A481 PolarHBondContact O-N 2.78Å; V478-A481 PolarHBondContact O-N 3.41Å; A481-T483 PolarHBondContact O-N 3.14Å; A481-M484 CarbonylContact O-C 3.57Å; A481-M484 PolarHBondContact O-N 3.28Å; A481-G485 PolarHBondContact O-N 3.45Å; A481-Y486 CarbonylContact C-O 3.58Å; A481-Y486 WeakPolarHBondContact O-CA 3.48Å; A481-Y486 WeakPolarHBondContact O-CB 3.49Å; A481-Y486 PolarHBondContact O-N 3.2Å |
| 482 | R | 89.8 | Confident | 88.4 | Confident | 83 Ų | 83 | 22.9 Ų | 22.9 | 31% | 0.313 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 173.9 | 172 | 179.5 | 173.4 | 178.5 | 1.1 | 111.9 | I465 Y467 V478 K479 A480 M484 G485 Y486 V487 | I465-R482 PolarHBondContact O-NH1 2.6Å; Y467-R482 HydrophobicContact CE2-CB 4.13Å; Y467-R482 HydrophobicContact CE2-CG 4.46Å; V478-R482 PolarHBondContact O-N 3.3Å; K479-R482 WeakPolarHBondContact O-CB 3.35Å; K479-R482 PolarHBondContact O-N 3.26Å; A480-R482 PolarHBondContact O-N 3.05Å; R482-M484 PolarHBondContact O-N 2.88Å; R482-G485 PolarHBondContact O-N 3.02Å; R482-Y486 WeakPolarHBondContact CA-O 3.33Å; R482-Y486 PolarHBondContact N-O 3.31Å; R482-V487 HydrophobicContact CG-CG1 4.49Å; R482-V487 HydrophobicContact CG-CG2 4.28Å |
| 483 | T | 87.3 | Confident | 88.6 | Confident | 95 Ų | 95 | 22.8 Ų | 22.8 | 58% | 0.583 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -59.2 | -32.8 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | L400 K479 A480 A481 G485 | L400-T483 HydrophobicContact CD1-CG2 4.32Å; K479-T483 PolarHBondContact O-N 3.07Å; K479-T483 PolarHBondContact O-OG1 2.8Å; K479-T483 VanDerWaalsContact O-OG1 3.09Å; A480-T483 PolarHBondContact O-N 2.85Å; A481-T483 PolarHBondContact O-N 3.14Å; T483-G485 VanDerWaalsContact C-N 3.29Å; T483-G485 PolarHBondContact O-N 3.42Å |
| 484 | M | 87.2 | Confident | 88.7 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 10.8 | 177.4 | -59.8 | -60.9 | -74.9 | 0 | 0 | 114 | L400 L405 L409 F420 A480 A481 R482 Y486 | L400-M484 HydrophobicContact CD2-CG 3.61Å; L400-M484 HydrophobicContact CD2-SD 3.75Å; L405-M484 HydrophobicContact CD2-CE 3.82Å; L405-M484 HydrophobicContact CG-CE 3.83Å; L409-M484 HydrophobicContact CD2-CB 4.33Å; L409-M484 HydrophobicContact CD2-CE 3.87Å; L409-M484 WeakPolarHBondContact CD2-O 3.1Å; F420-M484 HydrophobicContact CD1-CB 4.17Å; F420-M484 HydrophobicContact CD1-CG 4.23Å; F420-M484 HydrophobicContact CD2-CB 4.48Å; F420-M484 HydrophobicContact CE1-CB 4.08Å; F420-M484 HydrophobicContact CE1-CG 3.63Å; F420-M484 HydrophobicContact CE2-CB 4.39Å; F420-M484 HydrophobicContact CE2-CE 4.09Å; F420-M484 HydrophobicContact CE2-CG 4.17Å; F420-M484 HydrophobicContact CG-CB 4.39Å; F420-M484 HydrophobicContact CZ-CB 4.2Å; F420-M484 HydrophobicContact CZ-CE 4.11Å; F420-M484 HydrophobicContact CZ-CG 3.6Å; A480-M484 WeakPolarHBondContact O-CG 3.22Å; A480-M484 PolarHBondContact O-N 2.81Å; A481-M484 CarbonylContact O-C 3.57Å; A481-M484 PolarHBondContact O-N 3.28Å; R482-M484 PolarHBondContact O-N 2.88Å; M484-Y486 HydrophobicContact CB-CD2 4.29Å; M484-Y486 WeakPolarHBondContact O-CD2 3.28Å; M484-Y486 WeakPolarHBondContact O-CE2 3.24Å |
| 485 | G | 86.1 | Confident | 88.8 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 14 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | A481 R482 T483 R501 | A481-G485 PolarHBondContact O-N 3.45Å; R482-G485 PolarHBondContact O-N 3.02Å; T483-G485 VanDerWaalsContact C-N 3.29Å; T483-G485 PolarHBondContact O-N 3.42Å; G485-R501 PolarHBondContact O-N 2.79Å |
| 486 | Y | 91.1 | Very high | 89 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 82.9 | 172.5 | -61.5 | -105.3 | 0 | 0 | 0 | 108.4 | L409 D417 F420 A481 R482 M484 F488 I500 | L409-Y486 HydrophobicContact CD1-CE2 3.83Å; L409-Y486 WeakPolarHBondContact CD1-OH 3.49Å; D417-Y486 WeakPolarHBondContact CA-OH 3.28Å; D417-Y486 WeakPolarHBondContact OD1-CE1 3.38Å; D417-Y486 PolarHBondContact OD1-OH 3.37Å; F420-Y486 HydrophobicContact CB-CD1 4.07Å; F420-Y486 HydrophobicContact CB-CD2 3.53Å; F420-Y486 HydrophobicContact CB-CE1 4.11Å; F420-Y486 HydrophobicContact CB-CE2 3.59Å; F420-Y486 HydrophobicContact CB-CG 3.83Å; F420-Y486 HydrophobicContact CD2-CE2 4.36Å; F420-Y486 HydrophobicContact CG-CD2 4.19Å; F420-Y486 HydrophobicContact CG-CE2 4.18Å; A481-Y486 CarbonylContact C-O 3.58Å; A481-Y486 WeakPolarHBondContact O-CA 3.48Å; A481-Y486 WeakPolarHBondContact O-CB 3.49Å; A481-Y486 PolarHBondContact O-N 3.2Å; R482-Y486 WeakPolarHBondContact CA-O 3.33Å; R482-Y486 PolarHBondContact N-O 3.31Å; M484-Y486 HydrophobicContact CB-CD2 4.29Å; M484-Y486 WeakPolarHBondContact O-CD2 3.28Å; M484-Y486 WeakPolarHBondContact O-CE2 3.24Å; Y486-F488 PolarHBondContact O-N 3.03Å; Y486-I500 HydrophobicContact CD1-CB 4.31Å; Y486-I500 HydrophobicContact CD1-CD1 3.84Å; Y486-I500 HydrophobicContact CD1-CG1 3.78Å; Y486-I500 HydrophobicContact CD1-CG2 3.79Å; Y486-I500 HydrophobicContact CE1-CB 4.44Å; Y486-I500 HydrophobicContact CE1-CD1 4.06Å; Y486-I500 HydrophobicContact CE1-CG1 4.24Å; Y486-I500 HydrophobicContact CE1-CG2 3.47Å; Y486-I500 VanDerWaalsContact CE1-CG2 3.47Å |
| 487 | V | 91.5 | Very high | 89.1 | Confident | 26 Ų | 26 | 29.5 Ų | 29.5 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 110.7 | -171.7 | -172 | 0 | 0 | 0 | 0 | 109.9 | I465 R482 T489 V498 K499 | I465-V487 HydrophobicContact CD1-CG1 4.42Å; R482-V487 HydrophobicContact CG-CG1 4.49Å; R482-V487 HydrophobicContact CG-CG2 4.28Å; V487-T489 HydrophobicContact CG1-CG2 4.07Å; V487-T489 PolarHBondContact O-N 3.28Å; V487-V498 CarbonylContact O-C 3.51Å; V487-V498 WeakPolarHBondContact O-CA 3.44Å; V487-K499 HydrophobicContact CB-CB 4.34Å; V487-K499 PolarHBondContact N-O 2.94Å; V487-K499 PolarHBondContact O-N 3.04Å |
| 488 | F | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118.3 | 169.3 | 167.6 | -125.7 | 0 | 0 | 0 | 109.6 | H427 V429 P431 Y467 V478 Y486 T490 R491 V496 | H427-F488 AromaticContact CE1-CD1 3.6Å; H427-F488 AromaticContact CE1-CE1 3.46Å; H427-F488 VanDerWaalsContact CE1-CE1 3.46Å; H427-F488 WeakPolarHBondContact CE1-CE1 3.39Å; H427-F488 AromaticContact CE1-CZ 3.72Å; H427-F488 AromaticContact NE2-CD1 3.96Å; H427-F488 AromaticContact NE2-CG 3.99Å; V429-F488 VanDerWaalsContact O-CE1 3.25Å; V429-F488 WeakPolarHBondContact O-CE1 3.49Å; V429-F488 WeakPolarHBondContact O-CZ 3.42Å; P431-F488 HydrophobicContact CB-CD1 4.19Å; P431-F488 HydrophobicContact CB-CE1 3.87Å; P431-F488 HydrophobicContact CB-CZ 4.38Å; P431-F488 VanDerWaalsContact CD-CE1 3.41Å; P431-F488 VanDerWaalsContact CD-CZ 3.43Å; P431-F488 HydrophobicContact CG-CD1 4.25Å; P431-F488 HydrophobicContact CG-CE1 3.58Å; P431-F488 HydrophobicContact CG-CE2 4.2Å; P431-F488 HydrophobicContact CG-CZ 3.59Å; Y467-F488 AromaticContact CD1-CD1 3.96Å; Y467-F488 HydrophobicContact CD1-CD1 3.96Å; Y467-F488 HydrophobicContact CE1-CB 4.16Å; Y467-F488 AromaticContact CE1-CD1 3.57Å; Y467-F488 HydrophobicContact CE1-CD1 3.57Å; Y467-F488 HydrophobicContact CE1-CE1 4.44Å; Y467-F488 HydrophobicContact CE1-CG 4.28Å; Y467-F488 VanDerWaalsContact CE1-O 3.28Å; Y467-F488 WeakPolarHBondContact CE1-O 3.45Å; Y467-F488 PolarHBondContact OH-N 3.43Å; Y467-F488 PolarHBondContact OH-O 3.23Å; V478-F488 HydrophobicContact CG1-CB 4.27Å; V478-F488 HydrophobicContact CG1-CD1 4.26Å; Y486-F488 PolarHBondContact O-N 3.03Å; F488-T490 WeakPolarHBondContact CE2-O 3.4Å; F488-R491 HydrophobicContact CE2-CB 4.07Å; F488-R491 HydrophobicContact CZ-CB 3.78Å; F488-V496 HydrophobicContact CD2-CG1 3.71Å; F488-V496 HydrophobicContact CE2-CB 4.42Å; F488-V496 HydrophobicContact CE2-CG1 3.61Å; F488-V496 HydrophobicContact CE2-CG2 4.26Å |
| 489 | T | 87.6 | Confident | 89 | Confident | 12 Ų | 12 | 31 Ų | 31 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -44.4 | -169.7 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | P431 I465 V487 V497 K499 | P431-T489 WeakPolarHBondContact CG-O 3.3Å; I465-T489 HydrophobicContact CD1-CG2 4.26Å; V487-T489 HydrophobicContact CG1-CG2 4.07Å; V487-T489 PolarHBondContact O-N 3.28Å; T489-V497 PolarHBondContact N-O 2.9Å; T489-V497 PolarHBondContact OG1-O 3.41Å; T489-K499 HydrophobicContact CG2-CB 4.19Å |
| 490 | T | 87.9 | Confident | 88.9 | Confident | 18 Ų | 18 | 26 Ų | 26 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 139.2 | -170 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | F488 T492 V497 S1142 T1143 | F488-T490 WeakPolarHBondContact CE2-O 3.4Å; T490-T492 HydrophobicContact CG2-CG2 4.49Å; T490-V497 PolarHBondContact O-N 3.01Å; T490-S1142 WeakPolarHBondContact CG2-OG 3.44Å; T490-T1143 HydrophobicContact CG2-CG2 3.54Å |
| 491 | R | 88.1 | Confident | 88.3 | Confident | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.4 | 169.5 | 176.6 | 167.4 | -73.8 | -145.1 | -5.8 | 110.4 | H427 T428 V429 P431 F488 V496 S1142 | H427-R491 PolarHBondContact CE1-NH2 2.95Å; H427-R491 VanDerWaalsContact CE1-NH2 3.32Å; H427-R491 PolarHBondContact ND1-NH2 2.93Å; H427-R491 PolarHBondContact O-NH1 2.88Å; H427-R491 PolarHBondContact O-NH2 3.02Å; T428-R491 PolarHBondContact O-NH1 3.48Å; V429-R491 VanDerWaalsContact O-CZ 3.28Å; V429-R491 PolarHBondContact O-NE 2.8Å; P431-R491 HydrophobicContact CG-CB 4.46Å; F488-R491 HydrophobicContact CE2-CB 4.07Å; F488-R491 HydrophobicContact CZ-CB 3.78Å; R491-V496 HydrophobicContact CG-CG2 4.46Å; R491-S1142 PolarHBondContact N-OG 2.67Å; R491-S1142 PolarHBondContact O-N 3.42Å; R491-S1142 PolarHBondContact O-OG 3.22Å |
| 492 | T | 85.4 | Confident | 87.8 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | trans | -118 | 167 | 167.5 | 73.9 | 0 | 0 | 0 | 0 | 108.4 | T490 T494 E495 T1143 | T490-T492 HydrophobicContact CG2-CG2 4.49Å; T492-T494 PolarHBondContact O-N 3.05Å; T492-E495 HydrophobicContact CG2-CG 4.15Å; T492-E495 WeakPolarHBondContact CG2-OE1 3.23Å; T492-E495 PolarHBondContact N-O 3.24Å; T492-E495 PolarHBondContact O-N 3.18Å; T492-E495 VanDerWaalsContact O-O 3.11Å; T492-E495 WeakPolarHBondContact OG1-CG 3.21Å; T492-E495 PolarHBondContact OG1-N 2.9Å; T492-E495 VanDerWaalsContact OG1-N 3.11Å; T492-E495 PolarHBondContact OG1-OE1 3.02Å; T492-E495 VanDerWaalsContact OG1-OE1 3.11Å; T492-T1143 HydrophobicContact CG2-CG2 4.32Å | ||
| 493 | P | 83.3 | Confident | 87.7 | Confident | 41 Ų | 41 | 35 Ų | 35 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -54.3 | -23.8 | 178.5 | -33.5 | 40.8 | 0 | 0 | 0 | 115 | R1138 Y1140 | P493-R1138 WeakPolarHBondContact CB-O 3.49Å; P493-R1138 VanDerWaalsContact CG-O 3.29Å; P493-R1138 WeakPolarHBondContact CG-O 3.08Å; P493-R1138 WeakPolarHBondContact O-CD 3.41Å; P493-R1138 PolarHBondContact O-NH1 3.14Å; P493-Y1140 VanDerWaalsContact CD-O 3.32Å; P493-Y1140 WeakPolarHBondContact CD-O 3.36Å |
| 494 | T | 85.4 | Confident | 87.8 | Confident | 92 Ų | 92 | 35.8 Ų | 35.8 | 56% | 0.564 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -119.7 | -8.9 | -174.6 | 52.5 | 0 | 0 | 0 | 0 | 114 | T492 G508 I509 | T492-T494 PolarHBondContact O-N 3.05Å; T494-G508 CarbonylContact O-C 3.48Å; T494-I509 PolarHBondContact O-N 3.02Å |
| 495 | E | 89.5 | Confident | 88 | Confident | 63 Ų | 63 | 38.1 Ų | 38.1 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.1 | -173.5 | 101.8 | -159.1 | 110.2 | 0 | 0 | 113.3 | T492 V497 H506 Y507 | T492-E495 HydrophobicContact CG2-CG 4.15Å; T492-E495 WeakPolarHBondContact CG2-OE1 3.23Å; T492-E495 PolarHBondContact N-O 3.24Å; T492-E495 PolarHBondContact O-N 3.18Å; T492-E495 VanDerWaalsContact O-O 3.11Å; T492-E495 WeakPolarHBondContact OG1-CG 3.21Å; T492-E495 PolarHBondContact OG1-N 2.9Å; T492-E495 VanDerWaalsContact OG1-N 3.11Å; T492-E495 PolarHBondContact OG1-OE1 3.02Å; T492-E495 VanDerWaalsContact OG1-OE1 3.11Å; E495-V497 HydrophobicContact CG-CG2 4.25Å; E495-H506 IonicContact OE2-CE1 2.87Å; E495-H506 IonicContact OE2-ND1 3.99Å; E495-H506 PolarHBondContact OE2-ND1 3.21Å; E495-H506 VanDerWaalsContact OE2-ND1 3.09Å; E495-Y507 CarbonylContact C-O 3.55Å; E495-Y507 VanDerWaalsContact CA-O 3.31Å; E495-Y507 WeakPolarHBondContact CA-O 3.18Å |
| 496 | V | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.3 | 171.4 | 162.9 | 0 | 0 | 0 | 0 | 108.1 | F488 R491 V498 Y507 I509 | F488-V496 HydrophobicContact CD2-CG1 3.71Å; F488-V496 HydrophobicContact CE2-CB 4.42Å; F488-V496 HydrophobicContact CE2-CG1 3.61Å; F488-V496 HydrophobicContact CE2-CG2 4.26Å; R491-V496 HydrophobicContact CG-CG2 4.46Å; V496-V498 HydrophobicContact CG1-CG2 3.88Å; V496-Y507 PolarHBondContact N-O 2.87Å; V496-Y507 PolarHBondContact O-N 3.01Å; V496-I509 HydrophobicContact CB-CD1 4.11Å; V496-I509 HydrophobicContact CB-CG1 4.22Å; V496-I509 HydrophobicContact CG2-CD1 3.84Å; V496-I509 HydrophobicContact CG2-CG1 3.67Å |
| 497 | V | 91.8 | Very high | 88.4 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.5 | 177.7 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | T489 T490 E495 E504 K505 | T489-V497 PolarHBondContact N-O 2.9Å; T489-V497 PolarHBondContact OG1-O 3.41Å; T490-V497 PolarHBondContact O-N 3.01Å; E495-V497 HydrophobicContact CG-CG2 4.25Å; V497-E504 HydrophobicContact CG1-CB 4.28Å; V497-K505 WeakPolarHBondContact CA-O 3.48Å |
| 498 | V | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.2 | 177.3 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | A424 V425 V487 V496 I500 K505 Y507 | A424-V498 HydrophobicContact CB-CG1 3.93Å; A424-V498 HydrophobicContact CB-CG2 4.35Å; V425-V498 HydrophobicContact CG2-CG2 3.89Å; V487-V498 CarbonylContact O-C 3.51Å; V487-V498 WeakPolarHBondContact O-CA 3.44Å; V496-V498 HydrophobicContact CG1-CG2 3.88Å; V498-I500 HydrophobicContact CB-CG1 4.42Å; V498-I500 HydrophobicContact CG1-CD1 4.45Å; V498-I500 HydrophobicContact CG1-CG1 3.83Å; V498-K505 PolarHBondContact N-O 2.94Å; V498-K505 PolarHBondContact O-N 2.73Å; V498-Y507 HydrophobicContact CB-CE2 4.48Å; V498-Y507 HydrophobicContact CG2-CD2 4.42Å |
| 499 | K | 91 | Very high | 88.4 | Confident | 37 Ų | 37 | 42 Ų | 42 | 16% | 0.161 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 105.7 | 173.1 | -173.2 | 175 | 177.5 | 179.2 | 0 | 108.8 | E462 V487 T489 G502 V503 E504 | E462-K499 IonicContact OE1-NZ 2.73Å; E462-K499 PolarHBondContact OE1-NZ 3.18Å; E462-K499 IonicContact OE2-NZ 2.59Å; E462-K499 PolarHBondContact OE2-NZ 2.86Å; V487-K499 HydrophobicContact CB-CB 4.34Å; V487-K499 PolarHBondContact N-O 2.94Å; V487-K499 PolarHBondContact O-N 3.04Å; T489-K499 HydrophobicContact CG2-CB 4.19Å; K499-G502 WeakPolarHBondContact CE-O 3.41Å; K499-V503 CarbonylContact C-O 3.58Å; K499-V503 WeakPolarHBondContact CA-O 3.46Å; K499-E504 HydrophobicContact CB-CG 4.34Å; K499-E504 HydrophobicContact CG-CG 4.34Å |
| 500 | I | 88.1 | Confident | 88.6 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.8 | -179.3 | -56.2 | -175 | 0 | 0 | 0 | 107.9 | T421 Y486 V498 G502 V503 K505 | T421-I500 HydrophobicContact CG2-CD1 4.4Å; Y486-I500 HydrophobicContact CD1-CB 4.31Å; Y486-I500 HydrophobicContact CD1-CD1 3.84Å; Y486-I500 HydrophobicContact CD1-CG1 3.78Å; Y486-I500 HydrophobicContact CD1-CG2 3.79Å; Y486-I500 HydrophobicContact CE1-CB 4.44Å; Y486-I500 HydrophobicContact CE1-CD1 4.06Å; Y486-I500 HydrophobicContact CE1-CG1 4.24Å; Y486-I500 HydrophobicContact CE1-CG2 3.47Å; Y486-I500 VanDerWaalsContact CE1-CG2 3.47Å; V498-I500 HydrophobicContact CB-CG1 4.42Å; V498-I500 HydrophobicContact CG1-CD1 4.45Å; V498-I500 HydrophobicContact CG1-CG1 3.83Å; I500-G502 PolarHBondContact O-N 3.5Å; I500-G502 VanDerWaalsContact O-N 3.17Å; I500-V503 PolarHBondContact N-O 3.3Å; I500-V503 PolarHBondContact O-N 3.01Å; I500-K505 HydrophobicContact CD1-CD 3.88Å; I500-K505 HydrophobicContact CG1-CD 4.48Å |
| 501 | R | 78.9 | Confident | 88.7 | Confident | 129 Ų | 129 | 43.9 Ų | 43.9 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 37.8 | -179.8 | -55.1 | 178.1 | -171.3 | -152.3 | -4.5 | 113.3 | L409 G485 V503 | L409-R501 PolarHBondContact O-NH1 3.23Å; L409-R501 PolarHBondContact O-NH2 3.05Å; G485-R501 PolarHBondContact O-N 2.79Å; R501-V503 VanDerWaalsContact C-N 3.34Å; R501-V503 PolarHBondContact O-N 3.22Å |
| 502 | G | 79.5 | Confident | 88.7 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 55% | 0.546 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -13.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K499 I500 | K499-G502 WeakPolarHBondContact CE-O 3.41Å; I500-G502 PolarHBondContact O-N 3.5Å; I500-G502 VanDerWaalsContact O-N 3.17Å |
| 503 | V | 88.1 | Confident | 88.9 | Confident | 92 Ų | 92 | 44.1 Ų | 44.1 | 56% | 0.558 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122.2 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 110 | K499 I500 R501 K505 | K499-V503 CarbonylContact C-O 3.58Å; K499-V503 WeakPolarHBondContact CA-O 3.46Å; I500-V503 PolarHBondContact N-O 3.3Å; I500-V503 PolarHBondContact O-N 3.01Å; R501-V503 VanDerWaalsContact C-N 3.34Å; R501-V503 PolarHBondContact O-N 3.22Å; V503-K505 PolarHBondContact O-N 2.82Å |
| 504 | E | 89.7 | Confident | 89 | Confident | 112 Ų | 112 | 43.9 Ų | 43.9 | 52% | 0.523 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 126.1 | 173.7 | -68.9 | -171.2 | 159.2 | 0 | 0 | 110.9 | V497 K499 | V497-E504 HydrophobicContact CG1-CB 4.28Å; K499-E504 HydrophobicContact CB-CG 4.34Å; K499-E504 HydrophobicContact CG-CG 4.34Å |
| 505 | K | 91.9 | Very high | 88.9 | Confident | 65 Ų | 65 | 39.9 Ų | 39.9 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.2 | 174.3 | -64.4 | -166.1 | -167.4 | 171.4 | 0 | 109.6 | V497 V498 I500 V503 Y507 P529 | V497-K505 WeakPolarHBondContact CA-O 3.48Å; V498-K505 PolarHBondContact N-O 2.94Å; V498-K505 PolarHBondContact O-N 2.73Å; I500-K505 HydrophobicContact CD1-CD 3.88Å; I500-K505 HydrophobicContact CG1-CD 4.48Å; V503-K505 PolarHBondContact O-N 2.82Å; K505-Y507 HydrophobicContact CB-CD2 4.44Å; K505-Y507 HydrophobicContact CB-CE2 3.77Å; K505-P529 HydrophobicContact CB-CG 3.98Å; K505-P529 HydrophobicContact CD-CG 4.33Å; K505-P529 HydrophobicContact CG-CG 4.5Å |
| 506 | H | 92.3 | Very high | 88.3 | Confident | 94 Ų | 94 | 39.1 Ų | 39.1 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.8 | 178.8 | -67.9 | -110.8 | 0 | 0 | 0 | 110.3 | E495 P529 | E495-H506 IonicContact OE2-CE1 2.87Å; E495-H506 IonicContact OE2-ND1 3.99Å; E495-H506 PolarHBondContact OE2-ND1 3.21Å; E495-H506 VanDerWaalsContact OE2-ND1 3.09Å; H506-P529 WeakPolarHBondContact O-CG 3.34Å |
| 507 | Y | 93 | Very high | 87.4 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.4 | 175 | -68.9 | -95.1 | 0 | 0 | 0 | 109.3 | T421 V425 E495 V496 V498 K505 I509 E528 P529 | T421-Y507 HydrophobicContact CG2-CE1 4.18Å; T421-Y507 VanDerWaalsContact CG2-OH 3.27Å; T421-Y507 WeakPolarHBondContact CG2-OH 3.35Å; V425-Y507 HydrophobicContact CG1-CD1 4.48Å; V425-Y507 HydrophobicContact CG1-CG 4.37Å; V425-Y507 HydrophobicContact CG2-CD1 4.27Å; V425-Y507 HydrophobicContact CG2-CD2 3.92Å; V425-Y507 HydrophobicContact CG2-CE1 4.45Å; V425-Y507 HydrophobicContact CG2-CE2 4.12Å; V425-Y507 HydrophobicContact CG2-CG 4.01Å; E495-Y507 CarbonylContact C-O 3.55Å; E495-Y507 VanDerWaalsContact CA-O 3.31Å; E495-Y507 WeakPolarHBondContact CA-O 3.18Å; V496-Y507 PolarHBondContact N-O 2.87Å; V496-Y507 PolarHBondContact O-N 3.01Å; V498-Y507 HydrophobicContact CB-CE2 4.48Å; V498-Y507 HydrophobicContact CG2-CD2 4.42Å; K505-Y507 HydrophobicContact CB-CD2 4.44Å; K505-Y507 HydrophobicContact CB-CE2 3.77Å; Y507-I509 PolarHBondContact O-N 2.93Å; Y507-E528 HydrophobicContact CE1-CG 4.26Å; Y507-P529 HydrophobicContact CE1-CG 4.4Å; Y507-P529 HydrophobicContact CE2-CG 4.39Å |
| 508 | G | 92.4 | Very high | 86.7 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 117.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T494 L510 V526 R527 | T494-G508 CarbonylContact O-C 3.48Å; G508-L510 PolarHBondContact O-N 2.96Å; G508-V526 CarbonylContact O-C 3.42Å; G508-V526 VanDerWaalsContact O-CA 3.28Å; G508-V526 WeakPolarHBondContact O-CA 3.47Å; G508-R527 PolarHBondContact N-O 2.75Å; G508-R527 PolarHBondContact O-N 3.38Å |
| 509 | I | 90.7 | Very high | 86.5 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 102.2 | 178.2 | -55.1 | -54.8 | 0 | 0 | 0 | 109.3 | V425 T494 V496 Y507 V512 V524 V526 R1138 | V425-I509 HydrophobicContact CG1-CD1 4.36Å; T494-I509 PolarHBondContact O-N 3.02Å; V496-I509 HydrophobicContact CB-CD1 4.11Å; V496-I509 HydrophobicContact CB-CG1 4.22Å; V496-I509 HydrophobicContact CG2-CD1 3.84Å; V496-I509 HydrophobicContact CG2-CG1 3.67Å; Y507-I509 PolarHBondContact O-N 2.93Å; I509-V512 HydrophobicContact CG2-CG2 3.69Å; I509-V524 HydrophobicContact CD1-CG1 4.11Å; I509-V524 HydrophobicContact CG2-CG1 4.15Å; I509-V526 HydrophobicContact CD1-CG1 3.69Å; I509-R1138 PolarHBondContact O-NH1 2.94Å; I509-R1138 PolarHBondContact O-NH2 2.8Å |
| 510 | L | 91.2 | Very high | 86.3 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -52.6 | -176.5 | -63.2 | 179.6 | 0 | 0 | 0 | 111.6 | G508 V525 R527 I533 Y585 R1138 | G508-L510 PolarHBondContact O-N 2.96Å; L510-V525 HydrophobicContact CB-CB 4.38Å; L510-V525 HydrophobicContact CB-CG1 4.39Å; L510-V525 WeakPolarHBondContact CB-O 3.49Å; L510-V525 HydrophobicContact CD1-CG1 4.38Å; L510-V525 PolarHBondContact N-O 3.09Å; L510-R527 HydrophobicContact CD1-CB 4.17Å; L510-R527 HydrophobicContact CD2-CB 4.44Å; L510-R527 HydrophobicContact CG-CB 4.28Å; L510-I533 HydrophobicContact CD1-CD1 4.35Å; L510-I533 HydrophobicContact CD1-CG1 4.32Å; L510-I533 HydrophobicContact CD1-CG2 4.12Å; L510-Y585 HydrophobicContact CB-CE2 4.44Å; L510-Y585 WeakPolarHBondContact CB-OH 3.48Å; L510-Y585 HydrophobicContact CD1-CE1 4.09Å; L510-Y585 HydrophobicContact CD1-CE2 4.14Å; L510-R1138 PolarHBondContact O-NH2 3.22Å |
| 511 | H | 89.7 | Confident | 86.4 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 145.3 | 175.3 | -71.6 | -87.2 | 0 | 0 | 0 | 111.1 | V525 Y585 W588 F592 | H511-V525 HydrophobicContact CB-CB 4.27Å; H511-V525 HydrophobicContact CB-CG2 4.1Å; H511-V525 PolarHBondContact N-O 2.79Å; H511-V525 PolarHBondContact O-N 3.08Å; H511-Y585 PolarHBondContact CD2-OH 3.4Å; H511-Y585 PolarHBondContact NE2-OH 3.16Å; H511-W588 HydrophobicContact CB-CH2 4.17Å; H511-W588 HydrophobicContact CB-CZ3 4.13Å; H511-W588 AromaticContact CD2-CZ3 3.69Å; H511-W588 AromaticContact CG-CZ3 3.78Å; H511-F592 AromaticContact CE1-CD1 3.88Å; H511-F592 AromaticContact ND1-CD1 3.77Å; H511-F592 AromaticContact ND1-CE1 3.69Å |
| 512 | V | 88.7 | Confident | 87 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123.2 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | I509 M522 V524 I1137 | I509-V512 HydrophobicContact CG2-CG2 3.69Å; V512-M522 HydrophobicContact CG1-CE 3.73Å; V512-V524 HydrophobicContact CG2-CG1 4.43Å; V512-I1137 HydrophobicContact CG1-CD1 4.23Å; V512-I1137 HydrophobicContact CG2-CD1 4.41Å |
| 513 | L | 90.2 | Very high | 87.7 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 96.4 | 175.9 | -56.2 | 177 | 0 | 0 | 0 | 107.7 | R519 G523 W588 F592 A610 I613 E614 | L513-R519 PolarHBondContact O-NH1 3.13Å; L513-R519 VanDerWaalsContact O-NH1 3.09Å; L513-G523 WeakPolarHBondContact CA-O 3.11Å; L513-G523 WeakPolarHBondContact CB-O 3.48Å; L513-G523 PolarHBondContact N-O 3.1Å; L513-G523 PolarHBondContact O-N 2.65Å; L513-G523 VanDerWaalsContact O-N 3.13Å; L513-W588 HydrophobicContact CD2-CH2 4.01Å; L513-W588 HydrophobicContact CD2-CZ2 4.04Å; L513-F592 HydrophobicContact CD2-CE2 3.79Å; L513-F592 HydrophobicContact CD2-CZ 4.43Å; L513-A610 HydrophobicContact CD1-CB 4.12Å; L513-A610 HydrophobicContact CD2-CB 3.98Å; L513-I613 HydrophobicContact CD1-CG2 3.86Å; L513-E614 HydrophobicContact CD1-CG 4.05Å; L513-E614 WeakPolarHBondContact CD1-OE1 3.48Å |
| 514 | D | 84.2 | Confident | 87.9 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | trans | -58.2 | 142.4 | -172.4 | -70.3 | -21.4 | 0 | 0 | 0 | 113 | R519 S1134 | D514-R519 PolarHBondContact O-NH1 3.49Å; D514-S1134 WeakPolarHBondContact OD1-CB 3.31Å; D514-S1134 PolarHBondContact OD1-N 2.85Å; D514-S1134 VanDerWaalsContact OD1-N 3.08Å; D514-S1134 WeakPolarHBondContact OD2-CB 3.47Å; D514-S1134 PolarHBondContact OD2-N 3Å; D514-S1134 PolarHBondContact OD2-OG 3.08Å | ||
| 515 | F | 84.1 | Confident | 88.1 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | trans | -65.1 | 140 | 171.2 | 179.4 | -89.4 | 0 | 0 | 0 | 111.3 | R521 M522 Y1121 F1123 Q1125 | F515-R521 WeakPolarHBondContact CA-O 3.5Å; F515-M522 HydrophobicContact CB-CB 4.22Å; F515-Y1121 VanDerWaalsContact CE2-OH 3.28Å; F515-Y1121 WeakPolarHBondContact CE2-OH 3.11Å; F515-F1123 HydrophobicContact CD1-CD1 4.17Å; F515-F1123 HydrophobicContact CD1-CE1 4.46Å; F515-F1123 AromaticContact CD2-CD1 3.6Å; F515-F1123 HydrophobicContact CD2-CD1 3.6Å; F515-F1123 AromaticContact CD2-CE1 3.83Å; F515-F1123 HydrophobicContact CD2-CE1 3.83Å; F515-F1123 HydrophobicContact CE1-CD1 4Å; F515-F1123 HydrophobicContact CE2-CB 4.22Å; F515-F1123 AromaticContact CE2-CD1 3.39Å; F515-F1123 HydrophobicContact CE2-CD1 3.39Å; F515-F1123 HydrophobicContact CE2-CE1 4.11Å; F515-F1123 HydrophobicContact CE2-CG 4.18Å; F515-F1123 AromaticContact CG-CD1 3.99Å; F515-F1123 HydrophobicContact CG-CD1 3.99Å; F515-F1123 HydrophobicContact CG-CE1 4.03Å; F515-F1123 HydrophobicContact CZ-CB 4.14Å; F515-F1123 AromaticContact CZ-CD1 3.62Å; F515-F1123 HydrophobicContact CZ-CD1 3.62Å; F515-F1123 HydrophobicContact CZ-CG 4.36Å; F515-Q1125 HydrophobicContact CD1-CB 3.81Å; F515-Q1125 HydrophobicContact CD1-CG 4.2Å; F515-Q1125 HydrophobicContact CE1-CB 4.17Å; F515-Q1125 VanDerWaalsContact CG-OE1 3.27Å | ||
| 516 | T | 77.4 | Confident | 88.2 | Confident | 47 Ų | 47 | 30.2 Ų | 30.2 | 29% | 0.288 | 16% | 0.155 | S | C | . | . | trans | -139.5 | 158.1 | 167 | 73.3 | 0 | 0 | 0 | 0 | 109.9 | F518 R519 K520 | T516-F518 PolarHBondContact O-N 3.44Å; T516-R519 PolarHBondContact O-N 3.15Å; T516-R519 WeakPolarHBondContact OG1-CB 3.25Å; T516-R519 WeakPolarHBondContact OG1-CG 3.49Å; T516-R519 PolarHBondContact OG1-N 3.27Å; T516-K520 PolarHBondContact O-N 2.99Å | ||
| 517 | S | 71.8 | Confident | 88.3 | Confident | 53 Ų | 53 | 31.8 Ų | 31.8 | 37% | 0.371 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.7 | 179.2 | 46.6 | 0 | 0 | 0 | 0 | 111.4 | K520 E1127 | S517-K520 WeakPolarHBondContact O-CG 3.16Å; S517-E1127 WeakPolarHBondContact CA-OE1 3.28Å; S517-E1127 VanDerWaalsContact CB-CD 3.45Å; S517-E1127 WeakPolarHBondContact CB-OE1 3.39Å; S517-E1127 WeakPolarHBondContact CB-OE2 3.23Å; S517-E1127 PolarHBondContact N-OE1 3.43Å; S517-E1127 PolarHBondContact N-OE2 3.45Å; S517-E1127 PolarHBondContact OG-OE1 3.29Å; S517-E1127 PolarHBondContact OG-OE2 3.43Å |
| 518 | F | 76.5 | Confident | 88.2 | Confident | 172 Ų | 172 | 33.4 Ų | 33.4 | 75% | 0.754 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -43.6 | 174.4 | -173 | -99 | 0 | 0 | 0 | 111.6 | T516 | T516-F518 PolarHBondContact O-N 3.44Š|
| 519 | R | 86.6 | Confident | 88 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 5% | 0.045 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -35.5 | -179.7 | -71.3 | -179.5 | 88.3 | -140.8 | -8 | 113.8 | L513 D514 T516 R521 V543 E607 E614 | L513-R519 PolarHBondContact O-NH1 3.13Å; L513-R519 VanDerWaalsContact O-NH1 3.09Å; D514-R519 PolarHBondContact O-NH1 3.49Å; T516-R519 PolarHBondContact O-N 3.15Å; T516-R519 WeakPolarHBondContact OG1-CB 3.25Å; T516-R519 WeakPolarHBondContact OG1-CG 3.49Å; T516-R519 PolarHBondContact OG1-N 3.27Å; R519-R521 HydrophobicContact CB-CG 4.41Å; R519-R521 PolarHBondContact O-N 2.79Å; R519-R521 VanDerWaalsContact O-N 3.09Å; R519-R521 PolarHBondContact O-NH1 3.27Å; R519-V543 WeakPolarHBondContact O-CG1 3.22Å; R519-E607 WeakPolarHBondContact CD-OE2 3.33Å; R519-E607 WeakPolarHBondContact CG-OE2 3.38Å; R519-E607 IonicContact CZ-OE2 3.37Å; R519-E607 IonicContact NE-OE1 3.12Å; R519-E607 IonicContact NE-OE2 2.77Å; R519-E607 PolarHBondContact NE-OE2 3.2Å; R519-E614 IonicContact CZ-OE1 2.93Å; R519-E614 IonicContact NH2-OE1 2.73Å; R519-E614 PolarHBondContact NH2-OE1 3.28Å; R519-E614 IonicContact NH2-OE2 2.72Å; R519-E614 PolarHBondContact NH2-OE2 3.42Å |
| 520 | K | 87.1 | Confident | 87.9 | Confident | 68 Ų | 68 | 39.8 Ų | 39.8 | 30% | 0.296 | 20% | 0.198 | S | C | . | . | trans | 48.9 | 28.1 | -171.9 | -54.8 | -173.9 | 175.8 | -169.4 | 0 | 114.5 | T516 S517 G539 A540 V543 Y1121 | T516-K520 PolarHBondContact O-N 2.99Å; S517-K520 WeakPolarHBondContact O-CG 3.16Å; K520-G539 WeakPolarHBondContact O-CA 3.33Å; K520-A540 HydrophobicContact CB-CB 4.05Å; K520-A540 PolarHBondContact O-N 3.19Å; K520-V543 HydrophobicContact CB-CG2 3.99Å; K520-V543 HydrophobicContact CD-CG2 4.38Å; K520-Y1121 HydrophobicContact CB-CE1 4.08Å; K520-Y1121 HydrophobicContact CD-CE1 4.05Å; K520-Y1121 HydrophobicContact CG-CE1 4.27Å; K520-Y1121 PolarHBondContact O-OH 3.28Å | ||
| 521 | R | 91.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 155.6 | 178.5 | 70.3 | -169.5 | 179.4 | -74.7 | -6.3 | 111.2 | F515 R519 V537 K538 V543 I544 E607 E614 | F515-R521 WeakPolarHBondContact CA-O 3.5Å; R519-R521 HydrophobicContact CB-CG 4.41Å; R519-R521 PolarHBondContact O-N 2.79Å; R519-R521 VanDerWaalsContact O-N 3.09Å; R519-R521 PolarHBondContact O-NH1 3.27Å; R521-V537 HydrophobicContact CB-CG1 4.34Å; R521-K538 CarbonylContact C-O 3.54Å; R521-K538 VanDerWaalsContact CA-O 3.28Å; R521-K538 WeakPolarHBondContact CA-O 3.3Å; R521-V543 HydrophobicContact CG-CG1 4.42Å; R521-I544 HydrophobicContact CB-CD1 4.27Å; R521-E607 IonicContact CZ-OE1 2.86Å; R521-E607 IonicContact NH1-OE1 2.72Å; R521-E607 IonicContact NH2-OE1 3.49Å; R521-E607 PolarHBondContact NH2-OE1 2.74Å; R521-E614 IonicContact CZ-OE2 3.64Å; R521-E614 IonicContact NE-OE1 3.25Å; R521-E614 IonicContact NE-OE2 3.77Å; R521-E614 PolarHBondContact NE-OE2 2.92Å; R521-E614 IonicContact NH2-OE2 3.14Å; R521-E614 PolarHBondContact NH2-OE2 3.37Å |
| 522 | M | 91.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.2 | 171.7 | -174.3 | -167.3 | -176.4 | 0 | 0 | 108.8 | T428 V512 F515 V524 V537 K538 | T428-M522 HydrophobicContact CG2-CE 3.43Å; T428-M522 VanDerWaalsContact CG2-CE 3.43Å; T428-M522 HydrophobicContact CG2-SD 4.28Å; V512-M522 HydrophobicContact CG1-CE 3.73Å; F515-M522 HydrophobicContact CB-CB 4.22Å; M522-V524 HydrophobicContact CE-CG2 4.09Å; M522-V537 WeakPolarHBondContact O-CA 3.37Å; M522-V537 WeakPolarHBondContact O-CG1 3.49Å; M522-K538 HydrophobicContact CB-CG 4.15Å; M522-K538 PolarHBondContact N-O 3.39Å; M522-K538 PolarHBondContact O-N 3.33Å; M522-K538 VanDerWaalsContact SD-CE 3.52Å |
| 523 | G | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L513 M536 | L513-G523 WeakPolarHBondContact CA-O 3.11Å; L513-G523 WeakPolarHBondContact CB-O 3.48Å; L513-G523 PolarHBondContact N-O 3.1Å; L513-G523 PolarHBondContact O-N 2.65Å; L513-G523 VanDerWaalsContact O-N 3.13Å; G523-M536 CarbonylContact C-O 3.55Å; G523-M536 WeakPolarHBondContact CA-O 3.33Å |
| 524 | V | 92.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.1 | 170.8 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | C426 I509 V512 M522 V526 M536 | C426-V524 HydrophobicContact CB-CG2 4.39Å; I509-V524 HydrophobicContact CD1-CG1 4.11Å; I509-V524 HydrophobicContact CG2-CG1 4.15Å; V512-V524 HydrophobicContact CG2-CG1 4.43Å; M522-V524 HydrophobicContact CE-CG2 4.09Å; V524-V526 HydrophobicContact CB-CG1 4.33Å; V524-V526 HydrophobicContact CG1-CG1 3.53Å; V524-M536 PolarHBondContact N-O 3.04Å; V524-M536 PolarHBondContact O-N 3.14Å |
| 525 | V | 94 | Very high | 88.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117 | 172.5 | -166 | 0 | 0 | 0 | 0 | 107.7 | L510 H511 I533 V535 Y585 I613 | L510-V525 HydrophobicContact CB-CB 4.38Å; L510-V525 HydrophobicContact CB-CG1 4.39Å; L510-V525 WeakPolarHBondContact CB-O 3.49Å; L510-V525 HydrophobicContact CD1-CG1 4.38Å; L510-V525 PolarHBondContact N-O 3.09Å; H511-V525 HydrophobicContact CB-CB 4.27Å; H511-V525 HydrophobicContact CB-CG2 4.1Å; H511-V525 PolarHBondContact N-O 2.79Å; H511-V525 PolarHBondContact O-N 3.08Å; V525-I533 HydrophobicContact CG1-CG2 3.87Å; V525-V535 HydrophobicContact CG1-CG2 4.27Å; V525-V535 HydrophobicContact CG2-CG2 4.24Å; V525-Y585 HydrophobicContact CG1-CD2 4.02Å; V525-Y585 HydrophobicContact CG1-CE2 3.72Å; V525-I613 HydrophobicContact CG1-CD1 4.37Å; V525-I613 HydrophobicContact CG2-CD1 3.95Å |
| 526 | V | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.5 | -175.3 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | V425 G508 I509 V524 I533 S534 M536 | V425-V526 HydrophobicContact CG1-CG1 3.91Å; G508-V526 CarbonylContact O-C 3.42Å; G508-V526 VanDerWaalsContact O-CA 3.28Å; G508-V526 WeakPolarHBondContact O-CA 3.47Å; I509-V526 HydrophobicContact CD1-CG1 3.69Å; V524-V526 HydrophobicContact CB-CG1 4.33Å; V524-V526 HydrophobicContact CG1-CG1 3.53Å; V526-I533 WeakPolarHBondContact O-CA 3.33Å; V526-S534 WeakPolarHBondContact CG2-OG 3.25Å; V526-S534 PolarHBondContact N-O 3.11Å; V526-S534 PolarHBondContact O-N 3.24Å; V526-M536 HydrophobicContact CG2-CE 3.64Å; V526-M536 HydrophobicContact CG2-CG 4.32Å; V526-M536 HydrophobicContact CG2-SD 3.92Å |
| 527 | R | 94.3 | Very high | 90.1 | Very high | 128 Ų | 128 | 40.6 Ų | 40.6 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 112 | 162.9 | -174.3 | 177 | -64.3 | 177 | 0.8 | 108 | G508 L510 R532 | G508-R527 PolarHBondContact N-O 2.75Å; G508-R527 PolarHBondContact O-N 3.38Å; L510-R527 HydrophobicContact CD1-CB 4.17Å; L510-R527 HydrophobicContact CD2-CB 4.44Å; L510-R527 HydrophobicContact CG-CB 4.28Å; R527-R532 WeakPolarHBondContact CA-O 3.49Å |
| 528 | E | 91.4 | Very high | 91.1 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | trans | -68.2 | 160.3 | 177.4 | -72.6 | -172.5 | -175 | 0 | 0 | 111.8 | Y507 N530 G531 R532 S534 | Y507-E528 HydrophobicContact CE1-CG 4.26Å; E528-N530 WeakPolarHBondContact CB-OD1 3.13Å; E528-N530 PolarHBondContact O-N 2.73Å; E528-N530 VanDerWaalsContact O-N 3.09Å; E528-N530 PolarHBondContact OE2-ND2 3.1Å; E528-N530 PolarHBondContact OE2-OD1 3.34Å; E528-G531 PolarHBondContact O-N 3.17Å; E528-R532 PolarHBondContact N-O 2.79Å; E528-S534 PolarHBondContact OE1-OG 2.8Å | ||
| 529 | P | 87.9 | Confident | 91.8 | Very high | 73 Ų | 73 | 30.4 Ų | 30.4 | 47% | 0.474 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.5 | 176.2 | -23.4 | 29.6 | 0 | 0 | 0 | 114.6 | K505 H506 Y507 G531 | K505-P529 HydrophobicContact CB-CG 3.98Å; K505-P529 HydrophobicContact CD-CG 4.33Å; K505-P529 HydrophobicContact CG-CG 4.5Å; H506-P529 WeakPolarHBondContact O-CG 3.34Å; Y507-P529 HydrophobicContact CE1-CG 4.4Å; Y507-P529 HydrophobicContact CE2-CG 4.39Å; P529-G531 VanDerWaalsContact C-N 3.26Å; P529-G531 PolarHBondContact O-N 3.25Å |
| 530 | N | 88 | Confident | 92 | Very high | 94 Ų | 94 | 29.8 Ų | 29.8 | 50% | 0.503 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.8 | 176.9 | 61.4 | 18 | 0 | 0 | 0 | 113.3 | E528 R532 | E528-N530 WeakPolarHBondContact CB-OD1 3.13Å; E528-N530 PolarHBondContact O-N 2.73Å; E528-N530 VanDerWaalsContact O-N 3.09Å; E528-N530 PolarHBondContact OE2-ND2 3.1Å; E528-N530 PolarHBondContact OE2-OD1 3.34Å; N530-R532 VanDerWaalsContact OD1-CB 3.27Å; N530-R532 WeakPolarHBondContact OD1-CB 3.36Å; N530-R532 WeakPolarHBondContact OD1-CG 3.48Å; N530-R532 PolarHBondContact OD1-N 2.92Å |
| 531 | G | 87.6 | Confident | 92 | Very high | 48 Ų | 48 | 26.8 Ų | 26.8 | 50% | 0.495 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 88.7 | -5.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E528 P529 | E528-G531 PolarHBondContact O-N 3.17Å; P529-G531 VanDerWaalsContact C-N 3.26Å; P529-G531 PolarHBondContact O-N 3.25Å |
| 532 | R | 92.3 | Very high | 91.7 | Very high | 135 Ų | 135 | 29.9 Ų | 29.9 | 51% | 0.509 | 16% | 0.156 | S | C | . | . | trans | -72.1 | 150.8 | 177.4 | -62.7 | 180 | -173.7 | -163.8 | 6.5 | 111.1 | R527 E528 N530 E579 | R527-R532 WeakPolarHBondContact CA-O 3.49Å; E528-R532 PolarHBondContact N-O 2.79Å; N530-R532 VanDerWaalsContact OD1-CB 3.27Å; N530-R532 WeakPolarHBondContact OD1-CB 3.36Å; N530-R532 WeakPolarHBondContact OD1-CG 3.48Å; N530-R532 PolarHBondContact OD1-N 2.92Å; R532-E579 WeakPolarHBondContact CD-OE1 3.27Å; R532-E579 IonicContact NE-OE1 3.93Å; R532-E579 IonicContact NH1-OE1 3.31Å; R532-E579 IonicContact NH1-OE2 3.66Å; R532-E579 PolarHBondContact NH1-OE2 2.96Å | ||
| 533 | I | 93.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 5% | 0.051 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.2 | 173.9 | -57.9 | 178.9 | 0 | 0 | 0 | 107.4 | L510 V525 V526 V580 P582 Y585 | L510-I533 HydrophobicContact CD1-CD1 4.35Å; L510-I533 HydrophobicContact CD1-CG1 4.32Å; L510-I533 HydrophobicContact CD1-CG2 4.12Å; V525-I533 HydrophobicContact CG1-CG2 3.87Å; V526-I533 WeakPolarHBondContact O-CA 3.33Å; I533-V580 HydrophobicContact CG2-CB 4.17Å; I533-V580 PolarHBondContact O-N 2.84Å; I533-P582 HydrophobicContact CD1-CB 4.46Å; I533-Y585 HydrophobicContact CD1-CD1 3.69Å; I533-Y585 HydrophobicContact CD1-CE1 4.33Å; I533-Y585 HydrophobicContact CD1-CG 3.89Å; I533-Y585 HydrophobicContact CG2-CD2 4.2Å; I533-Y585 HydrophobicContact CG2-CG 4.34Å |
| 534 | S | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 145.4 | 178.8 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | V526 E528 T578 | V526-S534 WeakPolarHBondContact CG2-OG 3.25Å; V526-S534 PolarHBondContact N-O 3.11Å; V526-S534 PolarHBondContact O-N 3.24Å; E528-S534 PolarHBondContact OE1-OG 2.8Å; S534-T578 CarbonylContact C-O 3.55Å; S534-T578 WeakPolarHBondContact CA-O 3.48Å |
| 535 | V | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.1 | 170.8 | -180 | 0 | 0 | 0 | 0 | 107.3 | V525 V537 W577 T578 V580 I613 | V525-V535 HydrophobicContact CG1-CG2 4.27Å; V525-V535 HydrophobicContact CG2-CG2 4.24Å; V535-V537 HydrophobicContact CG1-CG2 3.75Å; V535-W577 CarbonylContact O-C 3.44Å; V535-W577 WeakPolarHBondContact O-CA 3.47Å; V535-T578 HydrophobicContact CB-CG2 4.02Å; V535-T578 HydrophobicContact CG2-CG2 4.45Å; V535-T578 PolarHBondContact N-O 2.79Å; V535-T578 PolarHBondContact O-N 3Å; V535-V580 HydrophobicContact CB-CG2 4.37Å; V535-V580 HydrophobicContact CG2-CG2 3.33Å; V535-I613 HydrophobicContact CG2-CD1 3.92Å; V535-I613 HydrophobicContact CG2-CG1 3.65Å |
| 536 | M | 95.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.1 | 176.8 | -60.5 | 176.7 | 175.4 | 0 | 0 | 108.3 | I422 V425 C426 G523 V524 V526 | I422-M536 HydrophobicContact CB-SD 4.48Å; I422-M536 HydrophobicContact CD1-CG 4.49Å; I422-M536 HydrophobicContact CG1-CB 4.3Å; I422-M536 HydrophobicContact CG1-CE 4.28Å; I422-M536 HydrophobicContact CG1-CG 3.93Å; I422-M536 HydrophobicContact CG1-SD 3.87Å; I422-M536 HydrophobicContact CG2-CB 4.1Å; V425-M536 HydrophobicContact CB-SD 4.13Å; V425-M536 HydrophobicContact CG1-SD 3.99Å; C426-M536 HydrophobicContact CB-CB 4.05Å; G523-M536 CarbonylContact C-O 3.55Å; G523-M536 WeakPolarHBondContact CA-O 3.33Å; V524-M536 PolarHBondContact N-O 3.04Å; V524-M536 PolarHBondContact O-N 3.14Å; V526-M536 HydrophobicContact CG2-CE 3.64Å; V526-M536 HydrophobicContact CG2-CG 4.32Å; V526-M536 HydrophobicContact CG2-SD 3.92Å |
| 537 | V | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.5 | -174.1 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | R521 M522 V535 I544 A576 E614 L617 | R521-V537 HydrophobicContact CB-CG1 4.34Å; M522-V537 WeakPolarHBondContact O-CA 3.37Å; M522-V537 WeakPolarHBondContact O-CG1 3.49Å; V535-V537 HydrophobicContact CG1-CG2 3.75Å; V537-I544 HydrophobicContact CB-CD1 4.4Å; V537-I544 HydrophobicContact CG1-CD1 3.53Å; V537-A576 PolarHBondContact N-O 2.79Å; V537-A576 PolarHBondContact O-N 2.84Å; V537-E614 HydrophobicContact CG2-CG 4.37Å; V537-L617 HydrophobicContact CB-CD1 4.23Å; V537-L617 HydrophobicContact CG1-CD1 4.39Å; V537-L617 HydrophobicContact CG2-CD1 4.05Å; V537-L617 HydrophobicContact CG2-CD2 3.84Å |
| 538 | K | 93.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139 | 168.9 | 65.9 | -174.7 | -176.9 | -169.9 | 0 | 110.4 | C426 E474 L477 R521 M522 C574 I575 | C426-K538 WeakPolarHBondContact O-CE 3.41Å; C426-K538 PolarHBondContact O-NZ 3.14Å; E474-K538 WeakPolarHBondContact OE1-CE 3.36Å; E474-K538 IonicContact OE1-NZ 3.79Å; E474-K538 PolarHBondContact OE1-NZ 3.41Å; L477-K538 HydrophobicContact CD1-CD 4.49Å; R521-K538 CarbonylContact C-O 3.54Å; R521-K538 VanDerWaalsContact CA-O 3.28Å; R521-K538 WeakPolarHBondContact CA-O 3.3Å; M522-K538 HydrophobicContact CB-CG 4.15Å; M522-K538 PolarHBondContact N-O 3.39Å; M522-K538 PolarHBondContact O-N 3.33Å; M522-K538 VanDerWaalsContact SD-CE 3.52Å; K538-C574 WeakPolarHBondContact CA-O 3.37Å; K538-I575 HydrophobicContact CB-CD1 3.6Å |
| 539 | G | 91.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -168.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K520 C574 | K520-G539 WeakPolarHBondContact O-CA 3.33Å; G539-C574 PolarHBondContact N-O 3.39Å; G539-C574 PolarHBondContact O-N 3.26Å |
| 540 | A | 89.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -64.5 | 143.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K520 T542 V543 I544 Y1121 | K520-A540 HydrophobicContact CB-CB 4.05Å; K520-A540 PolarHBondContact O-N 3.19Å; A540-T542 VanDerWaalsContact C-N 3.34Å; A540-T542 PolarHBondContact O-N 2.78Å; A540-V543 HydrophobicContact CB-CB 4.34Å; A540-V543 HydrophobicContact CB-CG2 4.22Å; A540-V543 PolarHBondContact O-N 3.11Å; A540-V543 VanDerWaalsContact O-N 3.15Å; A540-I544 WeakPolarHBondContact O-CB 3.26Å; A540-I544 WeakPolarHBondContact O-CG1 3.39Å; A540-I544 PolarHBondContact O-N 3.1Å; A540-Y1121 HydrophobicContact CB-CD1 3.62Å; A540-Y1121 HydrophobicContact CB-CD2 3.45Å; A540-Y1121 VanDerWaalsContact CB-CD2 3.45Å; A540-Y1121 HydrophobicContact CB-CE1 3.69Å; A540-Y1121 HydrophobicContact CB-CE2 3.49Å; A540-Y1121 VanDerWaalsContact CB-CE2 3.49Å; A540-Y1121 HydrophobicContact CB-CG 3.48Å; A540-Y1121 VanDerWaalsContact CB-CG 3.48Å; A540-Y1121 VanDerWaalsContact N-CE2 3.28Å | ||
| 541 | D | 87.2 | Confident | 90.9 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.1 | -49.8 | 170.6 | 65.7 | -48.2 | 0 | 0 | 0 | 111.5 | V543 I544 F545 L562 C574 H1119 | D541-V543 PolarHBondContact O-N 3.28Å; D541-I544 PolarHBondContact O-N 2.72Å; D541-F545 HydrophobicContact CB-CD2 4.1Å; D541-F545 HydrophobicContact CB-CE2 4.09Å; D541-F545 VanDerWaalsContact O-CB 3.26Å; D541-F545 WeakPolarHBondContact O-CB 3.3Å; D541-F545 WeakPolarHBondContact O-CD2 3.42Å; D541-F545 PolarHBondContact O-N 2.73Å; D541-L562 HydrophobicContact CB-CD1 3.83Å; D541-C574 VanDerWaalsContact CA-SG 3.6Å; D541-H1119 WeakPolarHBondContact OD2-CB 3.49Å; D541-H1119 IonicContact OD2-CD2 3.95Å; D541-H1119 PolarHBondContact OD2-CD2 3.17Å; D541-H1119 IonicContact OD2-CG 2.68Å |
| 542 | T | 86.7 | Confident | 90.5 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56 | -28.4 | 178.5 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | A540 E546 | A540-T542 VanDerWaalsContact C-N 3.34Å; A540-T542 PolarHBondContact O-N 2.78Å; T542-E546 WeakPolarHBondContact O-CG 3.45Å |
| 543 | V | 90.9 | Very high | 90.1 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -99.3 | -38 | -177.1 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | R519 K520 R521 A540 D541 R547 | R519-V543 WeakPolarHBondContact O-CG1 3.22Å; K520-V543 HydrophobicContact CB-CG2 3.99Å; K520-V543 HydrophobicContact CD-CG2 4.38Å; R521-V543 HydrophobicContact CG-CG1 4.42Å; A540-V543 HydrophobicContact CB-CB 4.34Å; A540-V543 HydrophobicContact CB-CG2 4.22Å; A540-V543 PolarHBondContact O-N 3.11Å; A540-V543 VanDerWaalsContact O-N 3.15Å; D541-V543 PolarHBondContact O-N 3.28Å; V543-R547 VanDerWaalsContact CG1-NH1 3.28Å; V543-R547 PolarHBondContact O-NH1 3.21Å |
| 544 | I | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.6 | -42.4 | 179.7 | -64.4 | -64.1 | 0 | 0 | 0 | 110.1 | R521 V537 A540 D541 E546 R547 L548 C574 A576 L619 | R521-I544 HydrophobicContact CB-CD1 4.27Å; V537-I544 HydrophobicContact CB-CD1 4.4Å; V537-I544 HydrophobicContact CG1-CD1 3.53Å; A540-I544 WeakPolarHBondContact O-CB 3.26Å; A540-I544 WeakPolarHBondContact O-CG1 3.39Å; A540-I544 PolarHBondContact O-N 3.1Å; D541-I544 PolarHBondContact O-N 2.72Å; I544-E546 VanDerWaalsContact C-N 3.28Å; I544-E546 PolarHBondContact O-N 3.44Å; I544-R547 PolarHBondContact O-N 3.19Å; I544-L548 HydrophobicContact CG2-CD2 4.11Å; I544-L548 WeakPolarHBondContact O-CG 3.35Å; I544-L548 PolarHBondContact O-N 2.9Å; I544-C574 HydrophobicContact CB-CB 4Å; I544-C574 HydrophobicContact CG1-CB 4.09Å; I544-C574 HydrophobicContact CG2-CB 3.96Å; I544-A576 HydrophobicContact CG2-CB 3.9Å; I544-L619 HydrophobicContact CG2-CD1 4.45Å |
| 545 | F | 90.8 | Very high | 89.5 | Confident | 49 Ų | 49 | 40 Ų | 40 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -61.1 | -34.9 | -179 | -84.9 | -111.6 | 0 | 0 | 0 | 112.8 | D541 R547 L548 A555 M559 L562 L619 | D541-F545 HydrophobicContact CB-CD2 4.1Å; D541-F545 HydrophobicContact CB-CE2 4.09Å; D541-F545 VanDerWaalsContact O-CB 3.26Å; D541-F545 WeakPolarHBondContact O-CB 3.3Å; D541-F545 WeakPolarHBondContact O-CD2 3.42Å; D541-F545 PolarHBondContact O-N 2.73Å; F545-R547 PolarHBondContact O-N 3.03Å; F545-L548 HydrophobicContact CD1-CD1 4.18Å; F545-L548 HydrophobicContact CG-CD1 4.18Å; F545-L548 PolarHBondContact O-N 2.91Å; F545-A555 HydrophobicContact CE1-CB 4.14Å; F545-M559 HydrophobicContact CD1-CE 3.76Å; F545-M559 HydrophobicContact CD2-CE 4.48Å; F545-M559 HydrophobicContact CE1-CB 4.34Å; F545-M559 HydrophobicContact CE1-CE 3.61Å; F545-M559 HydrophobicContact CE1-SD 4.43Å; F545-M559 HydrophobicContact CE2-CE 4.34Å; F545-M559 HydrophobicContact CG-CE 4.19Å; F545-M559 HydrophobicContact CZ-CB 4.31Å; F545-M559 HydrophobicContact CZ-CE 3.91Å; F545-M559 HydrophobicContact CZ-SD 4.24Å; F545-L562 HydrophobicContact CE2-CD1 4.02Å; F545-L562 HydrophobicContact CZ-CD1 4.29Å; F545-L619 HydrophobicContact CE2-CD2 4.47Å; F545-L619 HydrophobicContact CZ-CD2 4.16Å |
| 546 | E | 91.8 | Very high | 89.2 | Confident | 147 Ų | 147 | 46.4 Ų | 46.4 | 69% | 0.687 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.2 | 174.9 | -68.6 | 177.4 | 167.8 | 0 | 0 | 113.7 | T542 I544 | T542-E546 WeakPolarHBondContact O-CG 3.45Å; I544-E546 VanDerWaalsContact C-N 3.28Å; I544-E546 PolarHBondContact O-N 3.44Å |
| 547 | R | 93.3 | Very high | 89 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -106.6 | 1 | -175 | -71.9 | 167.4 | -178.7 | 67 | 5.9 | 113.2 | V543 I544 F545 N611 E614 N616 L617 | V543-R547 VanDerWaalsContact CG1-NH1 3.28Å; V543-R547 PolarHBondContact O-NH1 3.21Å; I544-R547 PolarHBondContact O-N 3.19Å; F545-R547 PolarHBondContact O-N 3.03Å; R547-N611 PolarHBondContact NE-OD1 3.1Å; R547-N611 PolarHBondContact NH2-OD1 2.69Å; R547-E614 WeakPolarHBondContact CB-O 3.39Å; R547-N616 PolarHBondContact O-N 3.38Å; R547-N616 VanDerWaalsContact O-N 3.13Å; R547-L617 HydrophobicContact CB-CD1 3.98Å; R547-L617 HydrophobicContact CB-CG 4.5Å; R547-L617 PolarHBondContact O-N 3.37Å |
| 548 | L | 92.7 | Very high | 88.8 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 141.7 | 177.3 | -65.1 | 178.6 | 0 | 0 | 0 | 110.5 | I544 F545 A576 L617 L619 | I544-L548 HydrophobicContact CG2-CD2 4.11Å; I544-L548 WeakPolarHBondContact O-CG 3.35Å; I544-L548 PolarHBondContact O-N 2.9Å; F545-L548 HydrophobicContact CD1-CD1 4.18Å; F545-L548 HydrophobicContact CG-CD1 4.18Å; F545-L548 PolarHBondContact O-N 2.91Å; L548-A576 HydrophobicContact CD2-CB 4.31Å; L548-L617 CarbonylContact C-O 3.52Å; L548-L617 VanDerWaalsContact CA-O 3.27Å; L548-L617 WeakPolarHBondContact CA-O 3.35Å; L548-L617 HydrophobicContact CD2-CB 4.15Å; L548-L617 WeakPolarHBondContact CD2-O 3.31Å; L548-L619 HydrophobicContact CD1-CB 4.01Å; L548-L619 HydrophobicContact CD1-CD2 4.23Å; L548-L619 HydrophobicContact CD2-CB 3.77Å |
| 549 | A | 89.7 | Confident | 88.6 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | trans | -63 | 146.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T551 S552 N616 L617 | A549-T551 PolarHBondContact O-N 2.81Å; A549-S552 VanDerWaalsContact O-CB 3.22Å; A549-S552 WeakPolarHBondContact O-CB 3.4Å; A549-S552 PolarHBondContact O-N 2.95Å; A549-N616 HydrophobicContact CB-CB 4.11Å; A549-L617 PolarHBondContact N-O 2.89Å | ||
| 550 | S | 83.8 | Confident | 88.5 | Confident | 129 Ų | 129 | 53.2 Ų | 53.2 | 90% | 0.902 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.4 | 175.8 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 551 | T | 82.6 | Confident | 88.6 | Confident | 96 Ų | 96 | 54.7 Ų | 54.7 | 59% | 0.589 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.3 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | A549 L553 Q618 | A549-T551 PolarHBondContact O-N 2.81Å; T551-L553 PolarHBondContact O-N 2.7Å; T551-Q618 PolarHBondContact OG1-NE2 3.36Å; T551-Q618 VanDerWaalsContact OG1-NE2 3.08Å |
| 552 | S | 80.2 | Confident | 88.7 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | trans | -62.9 | 120.1 | -176.4 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | A549 L619 | A549-S552 VanDerWaalsContact O-CB 3.22Å; A549-S552 WeakPolarHBondContact O-CB 3.4Å; A549-S552 PolarHBondContact O-N 2.95Å; S552-L619 WeakPolarHBondContact OG-CB 3.23Å; S552-L619 PolarHBondContact OG-N 3.38Å | ||
| 553 | L | 83.5 | Confident | 88.6 | Confident | 116 Ų | 116 | 54.2 Ų | 54.2 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 163.2 | 175.1 | -61 | 172.8 | 0 | 0 | 0 | 110.5 | T551 A555 | T551-L553 PolarHBondContact O-N 2.7Å; L553-A555 VanDerWaalsContact C-N 3.25Å; L553-A555 PolarHBondContact O-N 3.14Å; L553-A555 VanDerWaalsContact O-N 3.1Å |
| 554 | F | 88.1 | Confident | 88.3 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 7.5 | 170.7 | -38.5 | -64.2 | 0 | 0 | 0 | 117.8 | G386 L415 Q556 S557 T558 | G386-F554 WeakPolarHBondContact O-CD1 3.1Å; L415-F554 HydrophobicContact CD1-CE2 4.06Å; L415-F554 HydrophobicContact CD1-CZ 4.24Å; F554-Q556 PolarHBondContact O-N 3.13Å; F554-S557 PolarHBondContact O-OG 2.87Å; F554-T558 VanDerWaalsContact O-CB 3.3Å; F554-T558 WeakPolarHBondContact O-CB 3.28Å; F554-T558 PolarHBondContact O-N 3.28Å; F554-T558 PolarHBondContact O-OG1 3.45Å |
| 555 | A | 87.3 | Confident | 88 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.4 | -50.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F545 L553 T558 M559 | F545-A555 HydrophobicContact CE1-CB 4.14Å; L553-A555 VanDerWaalsContact C-N 3.25Å; L553-A555 PolarHBondContact O-N 3.14Å; L553-A555 VanDerWaalsContact O-N 3.1Å; A555-T558 PolarHBondContact O-N 3.5Å; A555-M559 PolarHBondContact O-N 3.34Å |
| 556 | Q | 87.2 | Confident | 87.5 | Confident | 134 Ų | 134 | 54.4 Ų | 54.4 | 63% | 0.626 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.7 | -48.9 | -178.4 | -172.1 | 62.4 | 37.9 | 0 | 0 | 112.7 | F554 T558 M559 D560 | F554-Q556 PolarHBondContact O-N 3.13Å; Q556-T558 VanDerWaalsContact C-N 3.26Å; Q556-T558 PolarHBondContact O-N 3.02Å; Q556-M559 WeakPolarHBondContact O-CB 3.01Å; Q556-M559 PolarHBondContact O-N 3.13Å; Q556-M559 VanDerWaalsContact O-N 3.12Å; Q556-D560 PolarHBondContact NE2-OD1 2.63Å; Q556-D560 PolarHBondContact O-N 3.27Å; Q556-D560 VanDerWaalsContact O-N 3.08Å |
| 557 | S | 90.9 | Very high | 86.6 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | G387 F554 H561 | G387-S557 WeakPolarHBondContact CA-OG 3.47Å; F554-S557 PolarHBondContact O-OG 2.87Å; S557-H561 PolarHBondContact O-CD2 2.85Å; S557-H561 PolarHBondContact O-N 3.04Å; S557-H561 VanDerWaalsContact O-N 3.15Å; S557-H561 PolarHBondContact O-ND1 3.32Å |
| 558 | T | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70 | -35.5 | 178.2 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | F554 A555 Q556 H561 L562 L619 A622 | F554-T558 VanDerWaalsContact O-CB 3.3Å; F554-T558 WeakPolarHBondContact O-CB 3.28Å; F554-T558 PolarHBondContact O-N 3.28Å; F554-T558 PolarHBondContact O-OG1 3.45Å; A555-T558 PolarHBondContact O-N 3.5Å; Q556-T558 VanDerWaalsContact C-N 3.26Å; Q556-T558 PolarHBondContact O-N 3.02Å; T558-H561 WeakPolarHBondContact O-CB 3.32Å; T558-H561 PolarHBondContact O-N 2.72Å; T558-L562 HydrophobicContact CG2-CD1 4.27Å; T558-L562 HydrophobicContact CG2-CG 4.45Å; T558-L562 VanDerWaalsContact O-CG 3.26Å; T558-L562 WeakPolarHBondContact O-CG 3.45Å; T558-L562 PolarHBondContact O-N 3.5Å; T558-L619 HydrophobicContact CG2-CD2 4.13Å; T558-A622 HydrophobicContact CG2-CB 3.8Å |
| 559 | M | 89.3 | Confident | 84.9 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 20% | 0.197 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 174.5 | -168.4 | 65 | 93.8 | 0 | 0 | 111.9 | F545 A555 Q556 H561 L562 E563 H1119 | F545-M559 HydrophobicContact CD1-CE 3.76Å; F545-M559 HydrophobicContact CD2-CE 4.48Å; F545-M559 HydrophobicContact CE1-CB 4.34Å; F545-M559 HydrophobicContact CE1-CE 3.61Å; F545-M559 HydrophobicContact CE1-SD 4.43Å; F545-M559 HydrophobicContact CE2-CE 4.34Å; F545-M559 HydrophobicContact CG-CE 4.19Å; F545-M559 HydrophobicContact CZ-CB 4.31Å; F545-M559 HydrophobicContact CZ-CE 3.91Å; F545-M559 HydrophobicContact CZ-SD 4.24Å; A555-M559 PolarHBondContact O-N 3.34Å; Q556-M559 WeakPolarHBondContact O-CB 3.01Å; Q556-M559 PolarHBondContact O-N 3.13Å; Q556-M559 VanDerWaalsContact O-N 3.12Å; M559-H561 PolarHBondContact O-N 2.9Å; M559-L562 WeakPolarHBondContact O-CB 3.3Å; M559-L562 PolarHBondContact O-N 2.93Å; M559-L562 VanDerWaalsContact O-N 3.17Å; M559-L562 HydrophobicContact SD-CD1 4.44Å; M559-E563 PolarHBondContact O-N 3.5Å; M559-H1119 VanDerWaalsContact SD-CE1 3.59Å |
| 560 | D | 89.3 | Confident | 84.7 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 176.8 | -61 | -18.1 | 0 | 0 | 0 | 111.3 | Q556 N564 | Q556-D560 PolarHBondContact NE2-OD1 2.63Å; Q556-D560 PolarHBondContact O-N 3.27Å; Q556-D560 VanDerWaalsContact O-N 3.08Å; D560-N564 PolarHBondContact O-N 3.03Å |
| 561 | H | 91.7 | Very high | 84.7 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.2 | -43.1 | 175.7 | -64.5 | 175.4 | 0 | 0 | 0 | 112.6 | S384 G387 M389 S557 T558 M559 E563 N564 F565 | S384-H561 PolarHBondContact OG-ND1 3.39Å; G387-H561 PolarHBondContact O-CE1 3.45Å; G387-H561 VanDerWaalsContact O-CE1 3.25Å; M389-H561 HydrophobicContact CE-CB 3.59Å; M389-H561 WeakPolarHBondContact CE-CD2 2.89Å; M389-H561 PolarHBondContact N-CE1 2.96Å; S557-H561 PolarHBondContact O-CD2 2.85Å; S557-H561 PolarHBondContact O-N 3.04Å; S557-H561 VanDerWaalsContact O-N 3.15Å; S557-H561 PolarHBondContact O-ND1 3.32Å; T558-H561 WeakPolarHBondContact O-CB 3.32Å; T558-H561 PolarHBondContact O-N 2.72Å; M559-H561 PolarHBondContact O-N 2.9Å; H561-E563 VanDerWaalsContact C-N 3.32Å; H561-E563 PolarHBondContact O-N 3.02Å; H561-N564 WeakPolarHBondContact O-CB 3.27Å; H561-N564 PolarHBondContact O-N 3Å; H561-N564 VanDerWaalsContact O-N 3.1Å; H561-F565 HydrophobicContact CB-CE2 4.29Å; H561-F565 HydrophobicContact CB-CZ 4.36Å; H561-F565 WeakPolarHBondContact O-CD2 3.08Å; H561-F565 VanDerWaalsContact O-CG 3.23Å; H561-F565 WeakPolarHBondContact O-CG 3.26Å; H561-F565 PolarHBondContact O-N 2.8Å |
| 562 | L | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 176.2 | -73.4 | 165.8 | 0 | 0 | 0 | 111.4 | D541 F545 T558 M559 N564 F565 A566 T572 A622 H1119 | D541-L562 HydrophobicContact CB-CD1 3.83Å; F545-L562 HydrophobicContact CE2-CD1 4.02Å; F545-L562 HydrophobicContact CZ-CD1 4.29Å; T558-L562 HydrophobicContact CG2-CD1 4.27Å; T558-L562 HydrophobicContact CG2-CG 4.45Å; T558-L562 VanDerWaalsContact O-CG 3.26Å; T558-L562 WeakPolarHBondContact O-CG 3.45Å; T558-L562 PolarHBondContact O-N 3.5Å; M559-L562 WeakPolarHBondContact O-CB 3.3Å; M559-L562 PolarHBondContact O-N 2.93Å; M559-L562 VanDerWaalsContact O-N 3.17Å; M559-L562 HydrophobicContact SD-CD1 4.44Å; L562-N564 VanDerWaalsContact C-N 3.3Å; L562-N564 PolarHBondContact O-N 2.6Å; L562-F565 PolarHBondContact O-N 2.91Å; L562-A566 WeakPolarHBondContact O-CB 3.42Å; L562-A566 PolarHBondContact O-N 3.02Å; L562-T572 VanDerWaalsContact CD2-CB 3.45Å; L562-T572 HydrophobicContact CD2-CG2 3.77Å; L562-A622 HydrophobicContact CD2-CB 3.67Å; L562-A622 HydrophobicContact CG-CB 4.2Å; L562-H1119 HydrophobicContact CB-CB 4.29Å |
| 563 | E | 84.3 | Confident | 85.6 | Confident | 63 Ų | 63 | 42.1 Ų | 42.1 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60 | -38.7 | 173 | -74.2 | -169.8 | -174.3 | 0 | 0 | 113 | M559 H561 K567 H1119 | M559-E563 PolarHBondContact O-N 3.5Å; H561-E563 VanDerWaalsContact C-N 3.32Å; H561-E563 PolarHBondContact O-N 3.02Å; E563-K567 VanDerWaalsContact O-CG 3.28Å; E563-K567 WeakPolarHBondContact O-CG 3.46Å; E563-K567 PolarHBondContact O-N 2.85Å; E563-K567 VanDerWaalsContact O-N 3.07Å; E563-K567 IonicContact OE2-NZ 2.73Å; E563-H1119 VanDerWaalsContact CG-ND1 3.25Å; E563-H1119 WeakPolarHBondContact CG-ND1 3.45Å; E563-H1119 IonicContact OE1-CE1 3.17Å |
| 564 | N | 85.2 | Confident | 86.2 | Confident | 59 Ų | 59 | 36.6 Ų | 36.6 | 32% | 0.316 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.2 | -44.2 | 176.8 | -168.2 | 7 | 0 | 0 | 0 | 111.3 | M389 D560 H561 L562 A566 K567 T568 | M389-N564 HydrophobicContact CE-CB 4.23Å; D560-N564 PolarHBondContact O-N 3.03Å; H561-N564 WeakPolarHBondContact O-CB 3.27Å; H561-N564 PolarHBondContact O-N 3Å; H561-N564 VanDerWaalsContact O-N 3.1Å; L562-N564 VanDerWaalsContact C-N 3.3Å; L562-N564 PolarHBondContact O-N 2.6Å; N564-A566 VanDerWaalsContact C-N 3.32Å; N564-A566 PolarHBondContact O-N 3.5Å; N564-K567 WeakPolarHBondContact O-CB 3.47Å; N564-K567 PolarHBondContact O-N 3.01Å; N564-T568 PolarHBondContact O-N 3.45Å; N564-T568 PolarHBondContact O-OG1 3.27Å |
| 565 | F | 86.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 176.2 | -60.2 | -24.5 | 0 | 0 | 0 | 112 | R382 M389 H561 L562 K567 T568 G569 L570 T572 A624 | R382-F565 HydrophobicContact CB-CD1 4.21Å; R382-F565 HydrophobicContact CB-CE1 3.61Å; R382-F565 HydrophobicContact CB-CZ 3.94Å; R382-F565 HydrophobicContact CG-CE1 4.31Å; M389-F565 HydrophobicContact CE-CE1 4.16Å; M389-F565 HydrophobicContact CE-CZ 4.46Å; M389-F565 HydrophobicContact CG-CE1 3.79Å; M389-F565 HydrophobicContact CG-CZ 3.83Å; M389-F565 HydrophobicContact SD-CE1 3.65Å; M389-F565 HydrophobicContact SD-CZ 4.22Å; H561-F565 HydrophobicContact CB-CE2 4.29Å; H561-F565 HydrophobicContact CB-CZ 4.36Å; H561-F565 WeakPolarHBondContact O-CD2 3.08Å; H561-F565 VanDerWaalsContact O-CG 3.23Å; H561-F565 WeakPolarHBondContact O-CG 3.26Å; H561-F565 PolarHBondContact O-N 2.8Å; L562-F565 PolarHBondContact O-N 2.91Å; F565-K567 PolarHBondContact O-N 3.25Å; F565-T568 PolarHBondContact O-N 2.89Å; F565-T568 PolarHBondContact O-OG1 3.41Å; F565-G569 PolarHBondContact O-N 3.09Å; F565-L570 HydrophobicContact CB-CB 4.25Å; F565-L570 HydrophobicContact CB-CD1 4.39Å; F565-L570 HydrophobicContact CD1-CD1 4.32Å; F565-L570 WeakPolarHBondContact O-CB 3.42Å; F565-L570 PolarHBondContact O-N 3.29Å; F565-T572 HydrophobicContact CB-CG2 3.55Å; F565-T572 HydrophobicContact CD2-CG2 4.05Å; F565-T572 HydrophobicContact CG-CG2 4.32Å; F565-A624 HydrophobicContact CB-CB 4.14Å; F565-A624 HydrophobicContact CD1-CB 4.19Å; F565-A624 HydrophobicContact CD2-CB 3.67Å; F565-A624 HydrophobicContact CE2-CB 4.03Å; F565-A624 HydrophobicContact CG-CB 3.75Å; F565-A624 HydrophobicContact CZ-CB 4.44Å |
| 566 | A | 78.7 | Confident | 86.8 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L562 N564 T568 G569 D1118 H1119 | L562-A566 WeakPolarHBondContact O-CB 3.42Å; L562-A566 PolarHBondContact O-N 3.02Å; N564-A566 VanDerWaalsContact C-N 3.32Å; N564-A566 PolarHBondContact O-N 3.5Å; A566-T568 PolarHBondContact O-N 3.27Å; A566-G569 PolarHBondContact O-N 2.91Å; A566-D1118 WeakPolarHBondContact CB-O 3.44Å; A566-H1119 VanDerWaalsContact CB-C 3.45Å |
| 567 | K | 73.4 | Confident | 87.2 | Confident | 125 Ų | 125 | 28 Ų | 28 | 54% | 0.543 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.6 | -29.5 | 176.5 | -75.5 | 166.3 | -169.6 | 162.1 | 0 | 113 | E563 N564 F565 | E563-K567 VanDerWaalsContact O-CG 3.28Å; E563-K567 WeakPolarHBondContact O-CG 3.46Å; E563-K567 PolarHBondContact O-N 2.85Å; E563-K567 VanDerWaalsContact O-N 3.07Å; E563-K567 IonicContact OE2-NZ 2.73Å; N564-K567 WeakPolarHBondContact O-CB 3.47Å; N564-K567 PolarHBondContact O-N 3.01Å; F565-K567 PolarHBondContact O-N 3.25Å |
| 568 | T | 74.6 | Confident | 87.3 | Confident | 59 Ų | 59 | 27.3 Ų | 27.3 | 36% | 0.362 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.4 | 175 | 49.8 | 0 | 0 | 0 | 0 | 114 | N564 F565 A566 L570 | N564-T568 PolarHBondContact O-N 3.45Å; N564-T568 PolarHBondContact O-OG1 3.27Å; F565-T568 PolarHBondContact O-N 2.89Å; F565-T568 PolarHBondContact O-OG1 3.41Å; A566-T568 PolarHBondContact O-N 3.27Å; T568-L570 WeakPolarHBondContact OG1-CG 3.33Å |
| 569 | G | 76.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 21.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F565 A566 | F565-G569 PolarHBondContact O-N 3.09Å; A566-G569 PolarHBondContact O-N 2.91Å |
| 570 | L | 84.4 | Confident | 87.5 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | trans | -82.5 | 141 | 176.1 | -60 | 174.5 | 0 | 0 | 0 | 110.6 | K381 R382 F565 T568 A624 E626 | K381-L570 HydrophobicContact CB-CD1 4.49Å; K381-L570 HydrophobicContact CB-CD2 4.09Å; K381-L570 HydrophobicContact CG-CD1 4.5Å; K381-L570 HydrophobicContact CG-CD2 4.23Å; R382-L570 HydrophobicContact CB-CD1 4.47Å; R382-L570 HydrophobicContact CG-CD1 4.27Å; F565-L570 HydrophobicContact CB-CB 4.25Å; F565-L570 HydrophobicContact CB-CD1 4.39Å; F565-L570 HydrophobicContact CD1-CD1 4.32Å; F565-L570 WeakPolarHBondContact O-CB 3.42Å; F565-L570 PolarHBondContact O-N 3.29Å; T568-L570 WeakPolarHBondContact OG1-CG 3.33Å; L570-A624 HydrophobicContact CB-CB 4.03Å; L570-A624 HydrophobicContact CD1-CB 3.87Å; L570-E626 HydrophobicContact CD2-CB 3.62Å; L570-E626 HydrophobicContact CD2-CG 3.96Å | ||
| 571 | R | 85.2 | Confident | 87.7 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123 | 174.3 | -54.1 | -173.5 | 177.3 | -165.5 | -1.3 | 109.8 | M378 D473 A624 I625 D627 G1120 A1122 S1124 | M378-R571 VanDerWaalsContact CE-CZ 3.46Å; D473-R571 IonicContact OD1-NH1 2.85Å; D473-R571 PolarHBondContact OD1-NH1 3.46Å; D473-R571 IonicContact OD2-NH1 3.87Å; D473-R571 PolarHBondContact OD2-NH1 3.28Å; R571-A624 CarbonylContact O-C 3.57Å; R571-A624 WeakPolarHBondContact O-CA 3.45Å; R571-I625 HydrophobicContact CB-CB 4.44Å; R571-I625 WeakPolarHBondContact CB-O 3.48Å; R571-I625 PolarHBondContact N-O 3.18Å; R571-I625 PolarHBondContact O-N 3.4Å; R571-D627 IonicContact CZ-OD2 3.44Å; R571-D627 IonicContact NE-OD2 3.6Å; R571-D627 IonicContact NH2-OD2 3.99Å; R571-D627 PolarHBondContact NH2-OD2 3.26Å; R571-G1120 WeakPolarHBondContact CA-O 3.47Å; R571-A1122 HydrophobicContact CB-CB 4.1Å; R571-A1122 HydrophobicContact CG-CB 3.86Å; R571-S1124 PolarHBondContact NH1-OG 3.09Å |
| 572 | T | 89.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 144.7 | -175 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | L562 F565 T623 H1119 G1120 Y1121 | L562-T572 VanDerWaalsContact CD2-CB 3.45Å; L562-T572 HydrophobicContact CD2-CG2 3.77Å; F565-T572 HydrophobicContact CB-CG2 3.55Å; F565-T572 HydrophobicContact CD2-CG2 4.05Å; F565-T572 HydrophobicContact CG-CG2 4.32Å; T572-T623 VanDerWaalsContact CA-O 3.3Å; T572-T623 WeakPolarHBondContact CA-O 3.28Å; T572-H1119 PolarHBondContact OG1-O 3.26Å; T572-G1120 PolarHBondContact N-O 3.09Å; T572-G1120 VanDerWaalsContact OG1-C 3.23Å; T572-G1120 PolarHBondContact OG1-O 3.22Å; T572-Y1121 WeakPolarHBondContact O-CD2 3.12Å; T572-Y1121 PolarHBondContact OG1-N 3.33Å |
| 573 | L | 92.1 | Very high | 87.7 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.7 | 168.4 | -61 | 169.2 | 0 | 0 | 0 | 110 | L477 A622 T623 Y1121 F1123 | L477-L573 HydrophobicContact CD1-CD1 4.01Å; L573-A622 CarbonylContact O-C 3.56Å; L573-A622 WeakPolarHBondContact O-CA 3.29Å; L573-A622 WeakPolarHBondContact O-CB 3.35Å; L573-T623 WeakPolarHBondContact CB-OG1 3.32Å; L573-T623 PolarHBondContact N-O 3.38Å; L573-T623 PolarHBondContact O-N 3.49Å; L573-Y1121 HydrophobicContact CD2-CD2 3.97Å; L573-Y1121 HydrophobicContact CD2-CE2 3.53Å; L573-F1123 HydrophobicContact CD1-CD2 3.69Å; L573-F1123 HydrophobicContact CD1-CE2 3.75Å; L573-F1123 HydrophobicContact CD2-CB 4.18Å; L573-F1123 HydrophobicContact CD2-CD2 3.82Å; L573-F1123 HydrophobicContact CD2-CG 4.22Å; L573-F1123 HydrophobicContact CG-CD2 4.31Å |
| 574 | C | 94.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.6 | 171.3 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | K538 G539 D541 I544 L619 | K538-C574 WeakPolarHBondContact CA-O 3.37Å; G539-C574 PolarHBondContact N-O 3.39Å; G539-C574 PolarHBondContact O-N 3.26Å; D541-C574 VanDerWaalsContact CA-SG 3.6Å; I544-C574 HydrophobicContact CB-CB 4Å; I544-C574 HydrophobicContact CG1-CB 4.09Å; I544-C574 HydrophobicContact CG2-CB 3.96Å; C574-L619 HydrophobicContact CB-CD1 4.17Å |
| 575 | I | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.2 | 177.6 | -53.8 | -59.8 | 0 | 0 | 0 | 108.3 | F419 I422 L423 K538 L620 G621 T623 | F419-I575 HydrophobicContact CD2-CB 4.24Å; F419-I575 HydrophobicContact CD2-CG1 4.4Å; F419-I575 HydrophobicContact CD2-CG2 4.36Å; F419-I575 HydrophobicContact CE2-CB 3.97Å; F419-I575 HydrophobicContact CE2-CG1 3.76Å; F419-I575 HydrophobicContact CZ-CG1 4.29Å; I422-I575 HydrophobicContact CB-CG2 4.1Å; I422-I575 HydrophobicContact CD1-CG2 4.03Å; I422-I575 HydrophobicContact CG2-CG2 3.62Å; L423-I575 HydrophobicContact CD2-CD1 3.87Å; L423-I575 HydrophobicContact CD2-CG1 4.23Å; K538-I575 HydrophobicContact CB-CD1 3.6Å; I575-L620 PolarHBondContact O-N 2.84Å; I575-G621 PolarHBondContact N-O 3.1Å; I575-G621 PolarHBondContact O-N 3.1Å; I575-T623 HydrophobicContact CD1-CG2 4.38Å; I575-T623 HydrophobicContact CG1-CG2 4.06Å |
| 576 | A | 94.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 159.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V537 I544 L548 L617 Q618 | V537-A576 PolarHBondContact N-O 2.79Å; V537-A576 PolarHBondContact O-N 2.84Å; I544-A576 HydrophobicContact CG2-CB 3.9Å; L548-A576 HydrophobicContact CD2-CB 4.31Å; A576-L617 HydrophobicContact CB-CB 3.95Å; A576-L617 HydrophobicContact CB-CD1 4.35Å; A576-Q618 WeakPolarHBondContact CA-O 3.42Å; A576-Q618 WeakPolarHBondContact CB-O 3.25Å |
| 577 | W | 94.7 | Very high | 89.3 | Confident | 57 Ų | 57 | 46.3 Ų | 46.3 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 165.3 | 178.4 | 75 | -70 | 0 | 0 | 0 | 111.7 | I422 V535 E579 Q618 L620 | I422-W577 HydrophobicContact CD1-CB 3.91Å; I422-W577 HydrophobicContact CD1-CG 4.35Å; V535-W577 CarbonylContact O-C 3.44Å; V535-W577 WeakPolarHBondContact O-CA 3.47Å; W577-E579 HydrophobicContact CZ3-CB 4.15Å; W577-Q618 PolarHBondContact N-O 3.04Å; W577-Q618 PolarHBondContact O-N 3Å; W577-L620 VanDerWaalsContact CD1-CG 3.48Å; W577-L620 HydrophobicContact CG-CD1 4.17Å |
| 578 | T | 93.9 | Very high | 90.3 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 151.9 | 169 | -166 | 0 | 0 | 0 | 0 | 111 | S534 V535 V580 N616 L617 | S534-T578 CarbonylContact C-O 3.55Å; S534-T578 WeakPolarHBondContact CA-O 3.48Å; V535-T578 HydrophobicContact CB-CG2 4.02Å; V535-T578 HydrophobicContact CG2-CG2 4.45Å; V535-T578 PolarHBondContact N-O 2.79Å; V535-T578 PolarHBondContact O-N 3Å; T578-V580 HydrophobicContact CG2-CG2 4.34Å; T578-N616 PolarHBondContact OG1-O 3.1Å; T578-L617 HydrophobicContact CG2-CD2 3.81Å |
| 579 | E | 92.5 | Very high | 91.1 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 45% | 0.453 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 132.2 | 172.6 | -171.4 | 170.5 | 166.6 | 0 | 0 | 109 | R532 W577 | R532-E579 WeakPolarHBondContact CD-OE1 3.27Å; R532-E579 IonicContact NE-OE1 3.93Å; R532-E579 IonicContact NH1-OE1 3.31Å; R532-E579 IonicContact NH1-OE2 3.66Å; R532-E579 PolarHBondContact NH1-OE2 2.96Å; W577-E579 HydrophobicContact CZ3-CB 4.15Å |
| 580 | V | 92 | Very high | 91.8 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.6 | -176.7 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | I533 V535 T578 F584 I613 | I533-V580 HydrophobicContact CG2-CB 4.17Å; I533-V580 PolarHBondContact O-N 2.84Å; V535-V580 HydrophobicContact CB-CG2 4.37Å; V535-V580 HydrophobicContact CG2-CG2 3.33Å; T578-V580 HydrophobicContact CG2-CG2 4.34Å; V580-F584 HydrophobicContact CG1-CD1 3.65Å; V580-F584 HydrophobicContact CG1-CE1 4.39Å; V580-I613 HydrophobicContact CG2-CG1 4.3Å |
| 581 | D | 92 | Very high | 92.1 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 54% | 0.535 | 25% | 0.245 | S | C | . | . | trans | -62.5 | 131 | 173.5 | 177.9 | 70.3 | 0 | 0 | 0 | 111.2 | A583 F584 Y585 | D581-A583 PolarHBondContact O-N 3.38Å; D581-A583 WeakPolarHBondContact OD2-CA 3.36Å; D581-A583 WeakPolarHBondContact OD2-CB 3.34Å; D581-A583 PolarHBondContact OD2-N 2.89Å; D581-F584 HydrophobicContact CB-CB 4.29Å; D581-F584 WeakPolarHBondContact O-CB 3.38Å; D581-F584 PolarHBondContact O-N 3.37Å; D581-F584 VanDerWaalsContact O-N 3.11Å; D581-F584 PolarHBondContact OD2-N 3.18Å; D581-Y585 PolarHBondContact O-N 3.44Å | ||
| 582 | P | 90.2 | Very high | 92.3 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.6 | -31.8 | -179.1 | -28.4 | 35.8 | 0 | 0 | 0 | 114.8 | I533 N586 | I533-P582 HydrophobicContact CD1-CB 4.46Å; P582-N586 VanDerWaalsContact O-CG 3.28Å; P582-N586 PolarHBondContact O-N 2.89Å; P582-N586 VanDerWaalsContact O-N 3.08Å; P582-N586 PolarHBondContact O-ND2 2.86Å; P582-N586 VanDerWaalsContact O-ND2 3.13Å |
| 583 | A | 91.7 | Very high | 92.3 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 55% | 0.554 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72.8 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D581 N586 K587 | D581-A583 PolarHBondContact O-N 3.38Å; D581-A583 WeakPolarHBondContact OD2-CA 3.36Å; D581-A583 WeakPolarHBondContact OD2-CB 3.34Å; D581-A583 PolarHBondContact OD2-N 2.89Å; A583-N586 PolarHBondContact O-N 2.8Å; A583-K587 PolarHBondContact O-N 2.83Å |
| 584 | F | 92.9 | Very high | 92 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 171.3 | 178.1 | -93 | 0 | 0 | 0 | 111.4 | V580 D581 N586 K587 W588 E612 I613 | V580-F584 HydrophobicContact CG1-CD1 3.65Å; V580-F584 HydrophobicContact CG1-CE1 4.39Å; D581-F584 HydrophobicContact CB-CB 4.29Å; D581-F584 WeakPolarHBondContact O-CB 3.38Å; D581-F584 PolarHBondContact O-N 3.37Å; D581-F584 VanDerWaalsContact O-N 3.11Å; D581-F584 PolarHBondContact OD2-N 3.18Å; F584-N586 PolarHBondContact O-N 2.84Å; F584-K587 WeakPolarHBondContact O-CB 3.41Å; F584-K587 PolarHBondContact O-N 2.9Å; F584-K587 VanDerWaalsContact O-N 3.17Å; F584-W588 HydrophobicContact CE1-CB 4.42Å; F584-W588 PolarHBondContact O-N 3.49Å; F584-E612 HydrophobicContact CZ-CG 4.17Å; F584-I613 HydrophobicContact CE1-CB 4.48Å; F584-I613 HydrophobicContact CE1-CG1 4.29Å |
| 585 | Y | 92.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 7% | 0.071 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 178.6 | 174.6 | -100.9 | 0 | 0 | 0 | 112.2 | L510 H511 V525 I533 D581 K587 W588 V589 I613 | L510-Y585 HydrophobicContact CB-CE2 4.44Å; L510-Y585 WeakPolarHBondContact CB-OH 3.48Å; L510-Y585 HydrophobicContact CD1-CE1 4.09Å; L510-Y585 HydrophobicContact CD1-CE2 4.14Å; H511-Y585 PolarHBondContact CD2-OH 3.4Å; H511-Y585 PolarHBondContact NE2-OH 3.16Å; V525-Y585 HydrophobicContact CG1-CD2 4.02Å; V525-Y585 HydrophobicContact CG1-CE2 3.72Å; I533-Y585 HydrophobicContact CD1-CD1 3.69Å; I533-Y585 HydrophobicContact CD1-CE1 4.33Å; I533-Y585 HydrophobicContact CD1-CG 3.89Å; I533-Y585 HydrophobicContact CG2-CD2 4.2Å; I533-Y585 HydrophobicContact CG2-CG 4.34Å; D581-Y585 PolarHBondContact O-N 3.44Å; Y585-K587 VanDerWaalsContact C-N 3.29Å; Y585-K587 PolarHBondContact O-N 3.15Å; Y585-W588 HydrophobicContact CD2-CE3 4.48Å; Y585-W588 HydrophobicContact CE2-CE3 4.3Å; Y585-W588 WeakPolarHBondContact O-CB 2.89Å; Y585-W588 PolarHBondContact O-N 2.89Å; Y585-W588 VanDerWaalsContact O-N 3.12Å; Y585-V589 HydrophobicContact CD1-CG2 4.08Å; Y585-V589 HydrophobicContact CD2-CG2 4.24Å; Y585-V589 HydrophobicContact CE1-CG2 3.52Å; Y585-V589 HydrophobicContact CE2-CG2 3.69Å; Y585-V589 HydrophobicContact CG-CG2 4.4Å; Y585-V589 WeakPolarHBondContact O-CG2 3.2Å; Y585-V589 PolarHBondContact O-N 2.84Å; Y585-V589 WeakPolarHBondContact OH-CG2 3.38Å; Y585-I613 HydrophobicContact CD2-CD1 4.44Å |
| 586 | N | 91.9 | Very high | 90.8 | Very high | 108 Ų | 108 | 63.4 Ų | 63.4 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.9 | -37.4 | 178.6 | -71.7 | -31.9 | 0 | 0 | 0 | 112.7 | P582 A583 F584 A590 | P582-N586 VanDerWaalsContact O-CG 3.28Å; P582-N586 PolarHBondContact O-N 2.89Å; P582-N586 VanDerWaalsContact O-N 3.08Å; P582-N586 PolarHBondContact O-ND2 2.86Å; P582-N586 VanDerWaalsContact O-ND2 3.13Å; A583-N586 PolarHBondContact O-N 2.8Å; F584-N586 PolarHBondContact O-N 2.84Å; N586-A590 PolarHBondContact O-N 2.82Å |
| 587 | K | 92.2 | Very high | 90.2 | Very high | 137 Ų | 137 | 67.2 Ų | 67.2 | 60% | 0.596 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.2 | -43.9 | 174 | -173.9 | -176.5 | 177.9 | -171 | 0 | 111.3 | A583 F584 Y585 V589 A590 N591 | A583-K587 PolarHBondContact O-N 2.83Å; F584-K587 WeakPolarHBondContact O-CB 3.41Å; F584-K587 PolarHBondContact O-N 2.9Å; F584-K587 VanDerWaalsContact O-N 3.17Å; Y585-K587 VanDerWaalsContact C-N 3.29Å; Y585-K587 PolarHBondContact O-N 3.15Å; K587-V589 PolarHBondContact O-N 2.56Å; K587-A590 PolarHBondContact O-N 3.5Å; K587-N591 PolarHBondContact O-N 3.07Å |
| 588 | W | 94.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 178 | -177.5 | 87 | 0 | 0 | 0 | 112.1 | H511 L513 F584 Y585 A590 N591 F592 V609 I613 | H511-W588 HydrophobicContact CB-CH2 4.17Å; H511-W588 HydrophobicContact CB-CZ3 4.13Å; H511-W588 AromaticContact CD2-CZ3 3.69Å; H511-W588 AromaticContact CG-CZ3 3.78Å; L513-W588 HydrophobicContact CD2-CH2 4.01Å; L513-W588 HydrophobicContact CD2-CZ2 4.04Å; F584-W588 HydrophobicContact CE1-CB 4.42Å; F584-W588 PolarHBondContact O-N 3.49Å; Y585-W588 HydrophobicContact CD2-CE3 4.48Å; Y585-W588 HydrophobicContact CE2-CE3 4.3Å; Y585-W588 WeakPolarHBondContact O-CB 2.89Å; Y585-W588 PolarHBondContact O-N 2.89Å; Y585-W588 VanDerWaalsContact O-N 3.12Å; W588-A590 VanDerWaalsContact C-N 3.31Å; W588-A590 PolarHBondContact O-N 3.34Å; W588-N591 WeakPolarHBondContact O-CB 3.24Å; W588-N591 PolarHBondContact O-N 3.25Å; W588-N591 VanDerWaalsContact O-N 3.13Å; W588-F592 HydrophobicContact CD2-CB 4.42Å; W588-F592 HydrophobicContact CE3-CB 4.21Å; W588-F592 HydrophobicContact CH2-CB 4.02Å; W588-F592 HydrophobicContact CH2-CD1 4.45Å; W588-F592 AromaticContact CH2-CD2 3.39Å; W588-F592 HydrophobicContact CH2-CD2 3.39Å; W588-F592 AromaticContact CH2-CE2 3.93Å; W588-F592 HydrophobicContact CH2-CE2 3.93Å; W588-F592 AromaticContact CH2-CG 3.69Å; W588-F592 HydrophobicContact CH2-CG 3.69Å; W588-F592 HydrophobicContact CZ2-CB 4.25Å; W588-F592 AromaticContact CZ2-CD2 3.51Å; W588-F592 HydrophobicContact CZ2-CD2 3.51Å; W588-F592 HydrophobicContact CZ2-CE2 4.17Å; W588-F592 HydrophobicContact CZ2-CG 4.11Å; W588-F592 HydrophobicContact CZ3-CB 3.99Å; W588-F592 HydrophobicContact CZ3-CD2 4.18Å; W588-F592 HydrophobicContact CZ3-CG 4.02Å; W588-F592 WeakPolarHBondContact O-CB 3.31Å; W588-F592 PolarHBondContact O-N 2.96Å; W588-V609 HydrophobicContact CD2-CG1 4.36Å; W588-V609 HydrophobicContact CG-CG1 4.46Å; W588-V609 HydrophobicContact CZ2-CG1 4.03Å; W588-V609 PolarHBondContact NE1-O 3.45Å; W588-I613 HydrophobicContact CD2-CB 4.28Å; W588-I613 HydrophobicContact CD2-CD1 3.73Å; W588-I613 HydrophobicContact CD2-CG2 4.45Å; W588-I613 HydrophobicContact CE3-CD1 3.98Å; W588-I613 HydrophobicContact CG-CB 4.28Å; W588-I613 HydrophobicContact CG-CD1 4.07Å; W588-I613 HydrophobicContact CZ2-CB 4.35Å; W588-I613 HydrophobicContact CZ2-CD1 4.4Å; W588-I613 HydrophobicContact CZ2-CG2 3.64Å; W588-I613 HydrophobicContact CZ3-CD1 4.43Å |
| 589 | V | 91.7 | Very high | 89 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 176.2 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | Y585 K587 F592 Y593 | Y585-V589 HydrophobicContact CD1-CG2 4.08Å; Y585-V589 HydrophobicContact CD2-CG2 4.24Å; Y585-V589 HydrophobicContact CE1-CG2 3.52Å; Y585-V589 HydrophobicContact CE2-CG2 3.69Å; Y585-V589 HydrophobicContact CG-CG2 4.4Å; Y585-V589 WeakPolarHBondContact O-CG2 3.2Å; Y585-V589 PolarHBondContact O-N 2.84Å; Y585-V589 WeakPolarHBondContact OH-CG2 3.38Å; K587-V589 PolarHBondContact O-N 2.56Å; V589-F592 PolarHBondContact O-N 3.49Å; V589-Y593 WeakPolarHBondContact O-CB 3.47Å; V589-Y593 PolarHBondContact O-N 2.79Å |
| 590 | A | 90.3 | Very high | 88.6 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 50% | 0.496 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N586 K587 W588 K594 | N586-A590 PolarHBondContact O-N 2.82Å; K587-A590 PolarHBondContact O-N 3.5Å; W588-A590 VanDerWaalsContact C-N 3.31Å; W588-A590 PolarHBondContact O-N 3.34Å; A590-K594 WeakPolarHBondContact O-CB 3.33Å; A590-K594 PolarHBondContact O-N 3.17Å; A590-K594 VanDerWaalsContact O-N 3.1Å |
| 591 | N | 91.7 | Very high | 88.1 | Confident | 58 Ų | 58 | 78.5 Ų | 78.5 | 31% | 0.31 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 175.1 | -71.8 | -14.1 | 0 | 0 | 0 | 111.8 | K587 W588 K594 A595 V609 | K587-N591 PolarHBondContact O-N 3.07Å; W588-N591 WeakPolarHBondContact O-CB 3.24Å; W588-N591 PolarHBondContact O-N 3.25Å; W588-N591 VanDerWaalsContact O-N 3.13Å; N591-K594 PolarHBondContact O-N 3.02Å; N591-A595 WeakPolarHBondContact O-CB 3.25Å; N591-A595 PolarHBondContact O-N 2.79Å; N591-V609 HydrophobicContact CB-CG1 4.29Å; N591-V609 HydrophobicContact CB-CG2 4.28Å |
| 592 | F | 89.1 | Confident | 87.5 | Confident | 34 Ų | 34 | 80.2 Ų | 80.2 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 179 | -172.3 | -91.5 | 0 | 0 | 0 | 111.4 | H511 L513 W588 V589 K594 A595 S596 L606 V609 | H511-F592 AromaticContact CE1-CD1 3.88Å; H511-F592 AromaticContact ND1-CD1 3.77Å; H511-F592 AromaticContact ND1-CE1 3.69Å; L513-F592 HydrophobicContact CD2-CE2 3.79Å; L513-F592 HydrophobicContact CD2-CZ 4.43Å; W588-F592 HydrophobicContact CD2-CB 4.42Å; W588-F592 HydrophobicContact CE3-CB 4.21Å; W588-F592 HydrophobicContact CH2-CB 4.02Å; W588-F592 HydrophobicContact CH2-CD1 4.45Å; W588-F592 AromaticContact CH2-CD2 3.39Å; W588-F592 HydrophobicContact CH2-CD2 3.39Å; W588-F592 AromaticContact CH2-CE2 3.93Å; W588-F592 HydrophobicContact CH2-CE2 3.93Å; W588-F592 AromaticContact CH2-CG 3.69Å; W588-F592 HydrophobicContact CH2-CG 3.69Å; W588-F592 HydrophobicContact CZ2-CB 4.25Å; W588-F592 AromaticContact CZ2-CD2 3.51Å; W588-F592 HydrophobicContact CZ2-CD2 3.51Å; W588-F592 HydrophobicContact CZ2-CE2 4.17Å; W588-F592 HydrophobicContact CZ2-CG 4.11Å; W588-F592 HydrophobicContact CZ3-CB 3.99Å; W588-F592 HydrophobicContact CZ3-CD2 4.18Å; W588-F592 HydrophobicContact CZ3-CG 4.02Å; W588-F592 WeakPolarHBondContact O-CB 3.31Å; W588-F592 PolarHBondContact O-N 2.96Å; V589-F592 PolarHBondContact O-N 3.49Å; F592-K594 PolarHBondContact O-N 3.5Å; F592-A595 PolarHBondContact O-N 2.86Å; F592-S596 WeakPolarHBondContact O-CB 3.41Å; F592-S596 PolarHBondContact O-N 2.99Å; F592-S596 PolarHBondContact O-OG 2.77Å; F592-L606 HydrophobicContact CD2-CD2 4.15Å; F592-L606 HydrophobicContact CE1-CD2 4.45Å; F592-L606 HydrophobicContact CE2-CD2 3.71Å; F592-L606 HydrophobicContact CZ-CD2 3.88Å; F592-V609 HydrophobicContact CB-CG1 3.91Å; F592-V609 HydrophobicContact CD2-CG1 4.02Å; F592-V609 HydrophobicContact CG-CG1 4.49Å |
| 593 | Y | 88.2 | Confident | 86.9 | Confident | 161 Ų | 161 | 84.2 Ų | 84.2 | 63% | 0.631 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.2 | -49.4 | 173.9 | -178.7 | -102.3 | 0 | 0 | 0 | 110.9 | V589 A595 S596 T597 | V589-Y593 WeakPolarHBondContact O-CB 3.47Å; V589-Y593 PolarHBondContact O-N 2.79Å; Y593-A595 VanDerWaalsContact C-N 3.3Å; Y593-A595 PolarHBondContact O-N 3.49Å; Y593-S596 WeakPolarHBondContact CA-OG 3.35Å; Y593-S596 PolarHBondContact O-N 3.35Å; Y593-S596 VanDerWaalsContact O-N 3.11Å; Y593-S596 PolarHBondContact O-OG 3.4Å; Y593-T597 HydrophobicContact CD2-CG2 4.43Å; Y593-T597 HydrophobicContact CE1-CG2 4.14Å; Y593-T597 HydrophobicContact CE2-CG2 4.04Å; Y593-T597 PolarHBondContact O-N 2.97Å; Y593-T597 PolarHBondContact O-OG1 3.48Å; Y593-T597 VanDerWaalsContact O-OG1 3.13Å |
| 594 | K | 87 | Confident | 86.6 | Confident | 158 Ų | 158 | 83.8 Ų | 83.8 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.4 | -38.8 | 176.5 | -175.3 | -179.9 | 179.5 | -178.7 | 0 | 112.9 | A590 N591 F592 T597 A598 | A590-K594 WeakPolarHBondContact O-CB 3.33Å; A590-K594 PolarHBondContact O-N 3.17Å; A590-K594 VanDerWaalsContact O-N 3.1Å; N591-K594 PolarHBondContact O-N 3.02Å; F592-K594 PolarHBondContact O-N 3.5Å; K594-T597 PolarHBondContact O-OG1 2.95Å; K594-A598 PolarHBondContact O-N 3.1Å |
| 595 | A | 85.5 | Confident | 86.4 | Confident | 6 Ų | 6 | 84.3 Ų | 84.3 | 5% | 0.05 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.5 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N591 F592 Y593 T597 A598 K605 L606 V609 | N591-A595 WeakPolarHBondContact O-CB 3.25Å; N591-A595 PolarHBondContact O-N 2.79Å; F592-A595 PolarHBondContact O-N 2.86Å; Y593-A595 VanDerWaalsContact C-N 3.3Å; Y593-A595 PolarHBondContact O-N 3.49Å; A595-T597 VanDerWaalsContact C-N 3.32Å; A595-T597 PolarHBondContact O-N 3.39Å; A595-A598 VanDerWaalsContact O-CB 3.27Å; A595-A598 WeakPolarHBondContact O-CB 3.31Å; A595-A598 PolarHBondContact O-N 3.33Å; A595-K605 HydrophobicContact CB-CB 3.99Å; A595-L606 HydrophobicContact CB-CD2 3.97Å; A595-L606 HydrophobicContact CB-CG 4.29Å; A595-V609 HydrophobicContact CB-CG2 4.08Å |
| 596 | S | 78 | Confident | 86.1 | Confident | 43 Ų | 43 | 85.5 Ų | 85.5 | 30% | 0.301 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.1 | -30.5 | -179.2 | 73.8 | 0 | 0 | 0 | 0 | 113.8 | F592 Y593 R602 | F592-S596 WeakPolarHBondContact O-CB 3.41Å; F592-S596 PolarHBondContact O-N 2.99Å; F592-S596 PolarHBondContact O-OG 2.77Å; Y593-S596 WeakPolarHBondContact CA-OG 3.35Å; Y593-S596 PolarHBondContact O-N 3.35Å; Y593-S596 VanDerWaalsContact O-N 3.11Å; Y593-S596 PolarHBondContact O-OG 3.4Å; S596-R602 WeakPolarHBondContact O-CD 3.39Å |
| 597 | T | 83 | Confident | 85.9 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 49% | 0.485 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.6 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | Y593 K594 A595 L599 | Y593-T597 HydrophobicContact CD2-CG2 4.43Å; Y593-T597 HydrophobicContact CE1-CG2 4.14Å; Y593-T597 HydrophobicContact CE2-CG2 4.04Å; Y593-T597 PolarHBondContact O-N 2.97Å; Y593-T597 PolarHBondContact O-OG1 3.48Å; Y593-T597 VanDerWaalsContact O-OG1 3.13Å; K594-T597 PolarHBondContact O-OG1 2.95Å; A595-T597 VanDerWaalsContact C-N 3.32Å; A595-T597 PolarHBondContact O-N 3.39Å; T597-L599 PolarHBondContact O-N 3.23Å |
| 598 | A | 82 | Confident | 85.8 | Confident | 18 Ų | 18 | 81.7 Ų | 81.7 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | trans | -70.1 | 130.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K594 A595 R602 K605 | K594-A598 PolarHBondContact O-N 3.1Å; A595-A598 VanDerWaalsContact O-CB 3.27Å; A595-A598 WeakPolarHBondContact O-CB 3.31Å; A595-A598 PolarHBondContact O-N 3.33Å; A598-R602 WeakPolarHBondContact O-CB 3.33Å; A598-K605 HydrophobicContact CB-CD 3.79Å | ||
| 599 | L | 80.5 | Confident | 85.7 | Confident | 171 Ų | 171 | 82.5 Ų | 82.5 | 90% | 0.895 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -75.1 | -35.9 | 175.2 | -66.6 | 170.3 | 0 | 0 | 0 | 112.3 | T597 | T597-L599 PolarHBondContact O-N 3.23Š|
| 600 | N | 84.1 | Confident | 85.7 | Confident | 118 Ų | 118 | 80.6 Ų | 80.6 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -109.8 | 138.7 | -178.1 | -59.2 | -12.7 | 0 | 0 | 0 | 110.7 | R602 K605 | N600-R602 PolarHBondContact O-N 2.98Å; N600-K605 PolarHBondContact O-NZ 2.78Å |
| 601 | D | 81.4 | Confident | 85.8 | Confident | 119 Ų | 119 | 80 Ų | 80 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 51.9 | 36.3 | 177.2 | -51.8 | -45 | 0 | 0 | 0 | 113.7 | E603 A604 K605 | D601-E603 VanDerWaalsContact C-N 3.31Å; D601-E603 PolarHBondContact O-N 2.91Å; D601-A604 HydrophobicContact CB-CB 4.4Å; D601-A604 PolarHBondContact O-N 3.3Å; D601-K605 WeakPolarHBondContact O-CB 3.43Å; D601-K605 WeakPolarHBondContact O-CG 3.22Å; D601-K605 PolarHBondContact O-N 3.45Å |
| 602 | R | 79.6 | Confident | 85.8 | Confident | 135 Ų | 135 | 80.7 Ų | 80.7 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.9 | -47 | -176.3 | -172.4 | 177.3 | 62.5 | 177.3 | -2.1 | 111.8 | S596 A598 N600 K605 L606 | S596-R602 WeakPolarHBondContact O-CD 3.39Å; A598-R602 WeakPolarHBondContact O-CB 3.33Å; N600-R602 PolarHBondContact O-N 2.98Å; R602-K605 PolarHBondContact O-N 3.21Å; R602-L606 HydrophobicContact CG-CD1 3.9Å; R602-L606 HydrophobicContact CG-CG 4.43Å; R602-L606 WeakPolarHBondContact O-CB 3.32Å; R602-L606 VanDerWaalsContact O-CG 3.24Å; R602-L606 WeakPolarHBondContact O-CG 3.4Å; R602-L606 PolarHBondContact O-N 3.03Å |
| 603 | E | 78.3 | Confident | 86 | Confident | 156 Ų | 156 | 79.3 Ų | 79.3 | 73% | 0.729 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.2 | -45.8 | -178.5 | -66.6 | 178.2 | -177.5 | 0 | 0 | 112.2 | D601 K605 L606 E607 | D601-E603 VanDerWaalsContact C-N 3.31Å; D601-E603 PolarHBondContact O-N 2.91Å; E603-K605 PolarHBondContact O-N 3.43Å; E603-L606 PolarHBondContact O-N 2.79Å; E603-E607 PolarHBondContact O-N 2.85Å |
| 604 | A | 85.8 | Confident | 86.3 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D601 E607 L608 | D601-A604 HydrophobicContact CB-CB 4.4Å; D601-A604 PolarHBondContact O-N 3.3Å; A604-E607 PolarHBondContact O-N 2.91Å; A604-L608 WeakPolarHBondContact O-CG 3.39Å; A604-L608 PolarHBondContact O-N 3.42Å |
| 605 | K | 88 | Confident | 86.5 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 175.9 | -72.9 | 170.4 | -177.3 | 160.9 | 0 | 112.2 | A595 A598 N600 D601 R602 E603 E607 L608 V609 | A595-K605 HydrophobicContact CB-CB 3.99Å; A598-K605 HydrophobicContact CB-CD 3.79Å; N600-K605 PolarHBondContact O-NZ 2.78Å; D601-K605 WeakPolarHBondContact O-CB 3.43Å; D601-K605 WeakPolarHBondContact O-CG 3.22Å; D601-K605 PolarHBondContact O-N 3.45Å; R602-K605 PolarHBondContact O-N 3.21Å; E603-K605 PolarHBondContact O-N 3.43Å; K605-E607 VanDerWaalsContact C-N 3.31Å; K605-L608 PolarHBondContact O-N 3.2Å; K605-V609 WeakPolarHBondContact O-CG2 3.47Å; K605-V609 PolarHBondContact O-N 3.29Å; K605-V609 VanDerWaalsContact O-N 3.13Å |
| 606 | L | 85.9 | Confident | 86.8 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 23% | 0.23 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.5 | -76.6 | 169.8 | 0 | 0 | 0 | 110.9 | F592 A595 R602 E603 V609 A610 | F592-L606 HydrophobicContact CD2-CD2 4.15Å; F592-L606 HydrophobicContact CE1-CD2 4.45Å; F592-L606 HydrophobicContact CE2-CD2 3.71Å; F592-L606 HydrophobicContact CZ-CD2 3.88Å; A595-L606 HydrophobicContact CB-CD2 3.97Å; A595-L606 HydrophobicContact CB-CG 4.29Å; R602-L606 HydrophobicContact CG-CD1 3.9Å; R602-L606 HydrophobicContact CG-CG 4.43Å; R602-L606 WeakPolarHBondContact O-CB 3.32Å; R602-L606 VanDerWaalsContact O-CG 3.24Å; R602-L606 WeakPolarHBondContact O-CG 3.4Å; R602-L606 PolarHBondContact O-N 3.03Å; E603-L606 PolarHBondContact O-N 2.79Å; L606-V609 PolarHBondContact O-N 2.73Å; L606-A610 WeakPolarHBondContact O-CB 3.46Å; L606-A610 PolarHBondContact O-N 3.3Å |
| 607 | E | 87.3 | Confident | 87.5 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.9 | 178.5 | 54.9 | -165.1 | 0 | 0 | 112.6 | R519 R521 E603 A604 K605 V609 A610 N611 | R519-E607 WeakPolarHBondContact CD-OE2 3.33Å; R519-E607 WeakPolarHBondContact CG-OE2 3.38Å; R519-E607 IonicContact CZ-OE2 3.37Å; R519-E607 IonicContact NE-OE1 3.12Å; R519-E607 IonicContact NE-OE2 2.77Å; R519-E607 PolarHBondContact NE-OE2 3.2Å; R521-E607 IonicContact CZ-OE1 2.86Å; R521-E607 IonicContact NH1-OE1 2.72Å; R521-E607 IonicContact NH2-OE1 3.49Å; R521-E607 PolarHBondContact NH2-OE1 2.74Å; E603-E607 PolarHBondContact O-N 2.85Å; A604-E607 PolarHBondContact O-N 2.91Å; K605-E607 VanDerWaalsContact C-N 3.31Å; E607-V609 VanDerWaalsContact C-N 3.34Å; E607-V609 PolarHBondContact O-N 2.83Å; E607-A610 PolarHBondContact O-N 3.21Å; E607-N611 VanDerWaalsContact O-CB 3.32Å; E607-N611 WeakPolarHBondContact O-CB 3.2Å; E607-N611 PolarHBondContact O-N 3.34Å |
| 608 | L | 91.1 | Very high | 88 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 68% | 0.675 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 176.8 | -73.5 | 172.1 | 0 | 0 | 0 | 111.8 | A604 K605 N611 E612 | A604-L608 WeakPolarHBondContact O-CG 3.39Å; A604-L608 PolarHBondContact O-N 3.42Å; K605-L608 PolarHBondContact O-N 3.2Å; L608-N611 PolarHBondContact O-N 2.97Å; L608-E612 PolarHBondContact O-N 3.29Å |
| 609 | V | 91.9 | Very high | 88.6 | Confident | 17 Ų | 17 | 68.8 Ų | 68.8 | 10% | 0.103 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 178 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | W588 N591 F592 A595 K605 L606 E607 N611 E612 | W588-V609 HydrophobicContact CD2-CG1 4.36Å; W588-V609 HydrophobicContact CG-CG1 4.46Å; W588-V609 HydrophobicContact CZ2-CG1 4.03Å; W588-V609 PolarHBondContact NE1-O 3.45Å; N591-V609 HydrophobicContact CB-CG1 4.29Å; N591-V609 HydrophobicContact CB-CG2 4.28Å; F592-V609 HydrophobicContact CB-CG1 3.91Å; F592-V609 HydrophobicContact CD2-CG1 4.02Å; F592-V609 HydrophobicContact CG-CG1 4.49Å; A595-V609 HydrophobicContact CB-CG2 4.08Å; K605-V609 WeakPolarHBondContact O-CG2 3.47Å; K605-V609 PolarHBondContact O-N 3.29Å; K605-V609 VanDerWaalsContact O-N 3.13Å; L606-V609 PolarHBondContact O-N 2.73Å; E607-V609 VanDerWaalsContact C-N 3.34Å; E607-V609 PolarHBondContact O-N 2.83Å; V609-N611 VanDerWaalsContact C-N 3.31Å; V609-N611 PolarHBondContact O-N 3.15Å; V609-E612 VanDerWaalsContact O-CB 3.32Å; V609-E612 WeakPolarHBondContact O-CB 3.38Å; V609-E612 PolarHBondContact O-N 3.46Å; V609-E612 VanDerWaalsContact O-N 3.13Å |
| 610 | A | 91.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L513 L606 E607 E612 I613 E614 | L513-A610 HydrophobicContact CD1-CB 4.12Å; L513-A610 HydrophobicContact CD2-CB 3.98Å; L606-A610 WeakPolarHBondContact O-CB 3.46Å; L606-A610 PolarHBondContact O-N 3.3Å; E607-A610 PolarHBondContact O-N 3.21Å; A610-E612 VanDerWaalsContact C-N 3.27Å; A610-E612 PolarHBondContact O-N 2.98Å; A610-I613 VanDerWaalsContact O-CG2 3.31Å; A610-I613 WeakPolarHBondContact O-CG2 3.32Å; A610-I613 PolarHBondContact O-N 3.42Å; A610-E614 VanDerWaalsContact O-CG 3.29Å; A610-E614 WeakPolarHBondContact O-CG 3.32Å; A610-E614 PolarHBondContact O-N 2.85Å |
| 611 | N | 92.1 | Very high | 89.6 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.3 | -25.2 | 176.3 | -169.7 | 63 | 0 | 0 | 0 | 113.1 | R547 E607 L608 V609 Q615 | R547-N611 PolarHBondContact NE-OD1 3.1Å; R547-N611 PolarHBondContact NH2-OD1 2.69Å; E607-N611 VanDerWaalsContact O-CB 3.32Å; E607-N611 WeakPolarHBondContact O-CB 3.2Å; E607-N611 PolarHBondContact O-N 3.34Å; L608-N611 PolarHBondContact O-N 2.97Å; V609-N611 VanDerWaalsContact C-N 3.31Å; V609-N611 PolarHBondContact O-N 3.15Å; N611-Q615 PolarHBondContact ND2-NE2 3.27Å; N611-Q615 WeakPolarHBondContact O-CG 3.28Å; N611-Q615 PolarHBondContact O-NE2 2.97Å; N611-Q615 PolarHBondContact OD1-NE2 3.14Å |
| 612 | E | 92.4 | Very high | 90.2 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.9 | -41 | 177.6 | -166.8 | -173.3 | 174.1 | 0 | 0 | 112.1 | F584 L608 V609 A610 | F584-E612 HydrophobicContact CZ-CG 4.17Å; L608-E612 PolarHBondContact O-N 3.29Å; V609-E612 VanDerWaalsContact O-CB 3.32Å; V609-E612 WeakPolarHBondContact O-CB 3.38Å; V609-E612 PolarHBondContact O-N 3.46Å; V609-E612 VanDerWaalsContact O-N 3.13Å; A610-E612 VanDerWaalsContact C-N 3.27Å; A610-E612 PolarHBondContact O-N 2.98Å |
| 613 | I | 93.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -84.9 | -19.1 | -178.5 | -166.5 | 163.3 | 0 | 0 | 0 | 113.3 | L513 V525 V535 V580 F584 Y585 W588 A610 Q615 | L513-I613 HydrophobicContact CD1-CG2 3.86Å; V525-I613 HydrophobicContact CG1-CD1 4.37Å; V525-I613 HydrophobicContact CG2-CD1 3.95Å; V535-I613 HydrophobicContact CG2-CD1 3.92Å; V535-I613 HydrophobicContact CG2-CG1 3.65Å; V580-I613 HydrophobicContact CG2-CG1 4.3Å; F584-I613 HydrophobicContact CE1-CB 4.48Å; F584-I613 HydrophobicContact CE1-CG1 4.29Å; Y585-I613 HydrophobicContact CD2-CD1 4.44Å; W588-I613 HydrophobicContact CD2-CB 4.28Å; W588-I613 HydrophobicContact CD2-CD1 3.73Å; W588-I613 HydrophobicContact CD2-CG2 4.45Å; W588-I613 HydrophobicContact CE3-CD1 3.98Å; W588-I613 HydrophobicContact CG-CB 4.28Å; W588-I613 HydrophobicContact CG-CD1 4.07Å; W588-I613 HydrophobicContact CZ2-CB 4.35Å; W588-I613 HydrophobicContact CZ2-CD1 4.4Å; W588-I613 HydrophobicContact CZ2-CG2 3.64Å; W588-I613 HydrophobicContact CZ3-CD1 4.43Å; A610-I613 VanDerWaalsContact O-CG2 3.31Å; A610-I613 WeakPolarHBondContact O-CG2 3.32Å; A610-I613 PolarHBondContact O-N 3.42Å; I613-Q615 VanDerWaalsContact C-N 3.31Å; I613-Q615 PolarHBondContact O-N 3.23Å |
| 614 | E | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 21.3 | -179.9 | -66.3 | 171.8 | 154.1 | 0 | 0 | 113.2 | L513 R519 R521 V537 R547 A610 L617 | L513-E614 HydrophobicContact CD1-CG 4.05Å; L513-E614 WeakPolarHBondContact CD1-OE1 3.48Å; R519-E614 IonicContact CZ-OE1 2.93Å; R519-E614 IonicContact NH2-OE1 2.73Å; R519-E614 PolarHBondContact NH2-OE1 3.28Å; R519-E614 IonicContact NH2-OE2 2.72Å; R519-E614 PolarHBondContact NH2-OE2 3.42Å; R521-E614 IonicContact CZ-OE2 3.64Å; R521-E614 IonicContact NE-OE1 3.25Å; R521-E614 IonicContact NE-OE2 3.77Å; R521-E614 PolarHBondContact NE-OE2 2.92Å; R521-E614 IonicContact NH2-OE2 3.14Å; R521-E614 PolarHBondContact NH2-OE2 3.37Å; V537-E614 HydrophobicContact CG2-CG 4.37Å; R547-E614 WeakPolarHBondContact CB-O 3.39Å; A610-E614 VanDerWaalsContact O-CG 3.29Å; A610-E614 WeakPolarHBondContact O-CG 3.32Å; A610-E614 PolarHBondContact O-N 2.85Å; E614-L617 WeakPolarHBondContact O-CD1 2.93Å; E614-L617 WeakPolarHBondContact O-CG 3.32Å |
| 615 | Q | 91.4 | Very high | 91.7 | Very high | 72 Ų | 72 | 33 Ų | 33 | 34% | 0.336 | 17% | 0.165 | S | C | . | . | trans | -91.4 | 157.4 | 174.7 | -62 | -57 | -42.9 | 0 | 0 | 112.1 | N611 I613 L617 | N611-Q615 PolarHBondContact ND2-NE2 3.27Å; N611-Q615 WeakPolarHBondContact O-CG 3.28Å; N611-Q615 PolarHBondContact O-NE2 2.97Å; N611-Q615 PolarHBondContact OD1-NE2 3.14Å; I613-Q615 VanDerWaalsContact C-N 3.31Å; I613-Q615 PolarHBondContact O-N 3.23Å; Q615-L617 PolarHBondContact O-N 2.87Å | ||
| 616 | N | 92.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 31.1 Ų | 31.1 | 58% | 0.578 | 16% | 0.157 | S | C | * | . | S | Bend | trans | 58.8 | 42.1 | 176.2 | -58.4 | -50.6 | 0 | 0 | 0 | 113.8 | R547 A549 T578 | R547-N616 PolarHBondContact O-N 3.38Å; R547-N616 VanDerWaalsContact O-N 3.13Å; A549-N616 HydrophobicContact CB-CB 4.11Å; T578-N616 PolarHBondContact OG1-O 3.1Å |
| 617 | L | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 148.2 | 178.6 | -60.7 | 173.3 | 0 | 0 | 0 | 111.6 | V537 R547 L548 A549 A576 T578 E614 Q615 | V537-L617 HydrophobicContact CB-CD1 4.23Å; V537-L617 HydrophobicContact CG1-CD1 4.39Å; V537-L617 HydrophobicContact CG2-CD1 4.05Å; V537-L617 HydrophobicContact CG2-CD2 3.84Å; R547-L617 HydrophobicContact CB-CD1 3.98Å; R547-L617 HydrophobicContact CB-CG 4.5Å; R547-L617 PolarHBondContact O-N 3.37Å; L548-L617 CarbonylContact C-O 3.52Å; L548-L617 VanDerWaalsContact CA-O 3.27Å; L548-L617 WeakPolarHBondContact CA-O 3.35Å; L548-L617 HydrophobicContact CD2-CB 4.15Å; L548-L617 WeakPolarHBondContact CD2-O 3.31Å; A549-L617 PolarHBondContact N-O 2.89Å; A576-L617 HydrophobicContact CB-CB 3.95Å; A576-L617 HydrophobicContact CB-CD1 4.35Å; T578-L617 HydrophobicContact CG2-CD2 3.81Å; E614-L617 WeakPolarHBondContact O-CD1 2.93Å; E614-L617 WeakPolarHBondContact O-CG 3.32Å; Q615-L617 PolarHBondContact O-N 2.87Å |
| 618 | Q | 93.5 | Very high | 91.7 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 27% | 0.266 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.7 | 171.1 | -64.4 | -67.1 | -34.6 | 0 | 0 | 109.2 | T551 A576 W577 L620 | T551-Q618 PolarHBondContact OG1-NE2 3.36Å; T551-Q618 VanDerWaalsContact OG1-NE2 3.08Å; A576-Q618 WeakPolarHBondContact CA-O 3.42Å; A576-Q618 WeakPolarHBondContact CB-O 3.25Å; W577-Q618 PolarHBondContact N-O 3.04Å; W577-Q618 PolarHBondContact O-N 3Å; Q618-L620 PolarHBondContact O-N 3.04Å |
| 619 | L | 94.2 | Very high | 91.6 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.3 | 178.2 | -172.5 | 66.7 | 0 | 0 | 0 | 110.1 | I544 F545 L548 S552 T558 C574 | I544-L619 HydrophobicContact CG2-CD1 4.45Å; F545-L619 HydrophobicContact CE2-CD2 4.47Å; F545-L619 HydrophobicContact CZ-CD2 4.16Å; L548-L619 HydrophobicContact CD1-CB 4.01Å; L548-L619 HydrophobicContact CD1-CD2 4.23Å; L548-L619 HydrophobicContact CD2-CB 3.77Å; S552-L619 WeakPolarHBondContact OG-CB 3.23Å; S552-L619 PolarHBondContact OG-N 3.38Å; T558-L619 HydrophobicContact CG2-CD2 4.13Å; C574-L619 HydrophobicContact CB-CD1 4.17Å |
| 620 | L | 92.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -35.8 | 172 | -73.4 | 166.7 | 0 | 0 | 0 | 111.8 | G386 L415 Q418 F419 I422 I575 W577 Q618 | G386-L620 PolarHBondContact N-O 3.08Å; L415-L620 HydrophobicContact CD2-CD2 3.84Å; Q418-L620 HydrophobicContact CB-CD1 4.26Å; Q418-L620 HydrophobicContact CB-CD2 4.4Å; F419-L620 HydrophobicContact CD2-CB 4.32Å; I422-L620 HydrophobicContact CD1-CD1 3.25Å; I575-L620 PolarHBondContact O-N 2.84Å; W577-L620 VanDerWaalsContact CD1-CG 3.48Å; W577-L620 HydrophobicContact CG-CD1 4.17Å; Q618-L620 PolarHBondContact O-N 3.04Å |
| 621 | G | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | -163.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S384 I575 | S384-G621 CarbonylContact O-C 3.53Å; S384-G621 WeakPolarHBondContact O-CA 3.06Å; I575-G621 PolarHBondContact N-O 3.1Å; I575-G621 PolarHBondContact O-N 3.1Å |
| 622 | A | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C383 S384 T558 L562 L573 | C383-A622 CarbonylContact C-O 3.52Å; C383-A622 VanDerWaalsContact CA-O 3.31Å; C383-A622 WeakPolarHBondContact CA-O 3.46Å; C383-A622 WeakPolarHBondContact CB-O 3.2Å; S384-A622 PolarHBondContact N-O 3.46Å; S384-A622 PolarHBondContact O-N 3.21Å; T558-A622 HydrophobicContact CG2-CB 3.8Å; L562-A622 HydrophobicContact CD2-CB 3.67Å; L562-A622 HydrophobicContact CG-CB 4.2Å; L573-A622 CarbonylContact O-C 3.56Å; L573-A622 WeakPolarHBondContact O-CA 3.29Å; L573-A622 WeakPolarHBondContact O-CB 3.35Å |
| 623 | T | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 149.1 | 172.2 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | F380 F419 L423 L477 T572 L573 I575 | F380-T623 HydrophobicContact CE2-CG2 3.68Å; F380-T623 HydrophobicContact CZ-CG2 4.31Å; F419-T623 HydrophobicContact CE1-CG2 4.19Å; F419-T623 HydrophobicContact CE2-CG2 4.36Å; F419-T623 HydrophobicContact CZ-CG2 3.53Å; L423-T623 HydrophobicContact CD1-CG2 4.32Å; L423-T623 HydrophobicContact CD2-CG2 4.03Å; L477-T623 HydrophobicContact CD2-CG2 3.8Å; T572-T623 VanDerWaalsContact CA-O 3.3Å; T572-T623 WeakPolarHBondContact CA-O 3.28Å; L573-T623 WeakPolarHBondContact CB-OG1 3.32Å; L573-T623 PolarHBondContact N-O 3.38Å; L573-T623 PolarHBondContact O-N 3.49Å; I575-T623 HydrophobicContact CD1-CG2 4.38Å; I575-T623 HydrophobicContact CG1-CG2 4.06Å |
| 624 | A | 91 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 115.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | K381 R382 F565 L570 R571 | K381-A624 PolarHBondContact N-O 2.99Å; R382-A624 HydrophobicContact CB-CB 3.97Å; R382-A624 PolarHBondContact N-O 3.03Å; R382-A624 VanDerWaalsContact N-O 3.13Å; R382-A624 WeakPolarHBondContact O-CA 3.39Å; R382-A624 WeakPolarHBondContact O-CB 3.35Å; R382-A624 PolarHBondContact O-N 2.86Å; F565-A624 HydrophobicContact CB-CB 4.14Å; F565-A624 HydrophobicContact CD1-CB 4.19Å; F565-A624 HydrophobicContact CD2-CB 3.67Å; F565-A624 HydrophobicContact CE2-CB 4.03Å; F565-A624 HydrophobicContact CG-CB 3.75Å; F565-A624 HydrophobicContact CZ-CB 4.44Å; L570-A624 HydrophobicContact CB-CB 4.03Å; L570-A624 HydrophobicContact CD1-CB 3.87Å; R571-A624 CarbonylContact O-C 3.57Å; R571-A624 WeakPolarHBondContact O-CA 3.45Å |
| 625 | I | 89.7 | Confident | 91.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.2 | -177.4 | -56 | 174.4 | 0 | 0 | 0 | 108 | M378 E379 D473 A476 L477 R571 | M378-I625 HydrophobicContact CB-CG2 3.81Å; E379-I625 CarbonylContact O-C 3.54Å; E379-I625 WeakPolarHBondContact O-CA 3.37Å; D473-I625 HydrophobicContact CB-CD1 4.03Å; A476-I625 HydrophobicContact CB-CG2 4.32Å; L477-I625 HydrophobicContact CD2-CD1 3.82Å; L477-I625 HydrophobicContact CD2-CG1 4.32Å; L477-I625 HydrophobicContact CG-CD1 3.96Å; R571-I625 HydrophobicContact CB-CB 4.44Å; R571-I625 WeakPolarHBondContact CB-O 3.48Å; R571-I625 PolarHBondContact N-O 3.18Å; R571-I625 PolarHBondContact O-N 3.4Å |
| 626 | E | 87.6 | Confident | 91.6 | Very high | 47 Ų | 47 | 27.3 Ų | 27.3 | 22% | 0.22 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.3 | 172.7 | -170.1 | -177.8 | 174.7 | 0 | 0 | 109.8 | M378 E379 K381 L570 K628 | M378-E626 WeakPolarHBondContact CA-O 3.39Å; E379-E626 PolarHBondContact N-O 3.29Å; E379-E626 PolarHBondContact O-N 3.22Å; K381-E626 HydrophobicContact CB-CB 4.13Å; K381-E626 WeakPolarHBondContact CD-OE2 3.12Å; L570-E626 HydrophobicContact CD2-CB 3.62Å; L570-E626 HydrophobicContact CD2-CG 3.96Å; E626-K628 PolarHBondContact O-N 3.47Å |
| 627 | D | 86 | Confident | 91.7 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 94.8 | 163.1 | -175.4 | 0.6 | 0 | 0 | 0 | 107.5 | K369 M378 R571 L629 I661 | K369-D627 IonicContact NZ-OD2 2.89Å; K369-D627 PolarHBondContact NZ-OD2 3.01Å; M378-D627 HydrophobicContact CE-CB 4.12Å; M378-D627 HydrophobicContact SD-CB 3.7Å; R571-D627 IonicContact CZ-OD2 3.44Å; R571-D627 IonicContact NE-OD2 3.6Å; R571-D627 IonicContact NH2-OD2 3.99Å; R571-D627 PolarHBondContact NH2-OD2 3.26Å; D627-L629 PolarHBondContact O-N 3.38Å; D627-I661 HydrophobicContact CB-CD1 4Å |
| 628 | K | 87.2 | Confident | 91.6 | Very high | 65 Ų | 65 | 24.2 Ų | 24.2 | 28% | 0.283 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 125.1 | -163.3 | -166.8 | 170.7 | -164.3 | 149.1 | 0 | 111.4 | T374 R375 V377 E379 E626 | T374-K628 CarbonylContact C-O 3.53Å; T374-K628 WeakPolarHBondContact CA-O 3.46Å; R375-K628 PolarHBondContact N-O 2.97Å; V377-K628 HydrophobicContact CB-CB 4.49Å; V377-K628 VanDerWaalsContact O-CB 3.31Å; V377-K628 WeakPolarHBondContact O-CB 3.4Å; V377-K628 PolarHBondContact O-N 3.34Å; E379-K628 IonicContact OE2-NZ 2.73Å; E379-K628 PolarHBondContact OE2-NZ 3.33Å; E626-K628 PolarHBondContact O-N 3.47Å |
| 629 | L | 90.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 22 Ų | 22 | 10% | 0.099 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 156.2 | 174.9 | -59.8 | -176.4 | 0 | 0 | 0 | 112 | L373 T374 R375 D627 P634 I661 C665 | L373-L629 CarbonylContact O-C 3.59Å; L373-L629 WeakPolarHBondContact O-CA 3.45Å; T374-L629 HydrophobicContact CG2-CD2 3.97Å; R375-L629 PolarHBondContact NE-O 3.38Å; D627-L629 PolarHBondContact O-N 3.38Å; L629-P634 HydrophobicContact CD1-CG 3.91Å; L629-I661 HydrophobicContact CD2-CD1 4Å; L629-I661 HydrophobicContact CD2-CG2 4.3Å; L629-C665 HydrophobicContact CD1-CB 4.42Å; L629-C665 VanDerWaalsContact CD1-SG 3.52Å; L629-C665 WeakPolarHBondContact CD2-SG 3.21Å |
| 630 | Q | 89.9 | Confident | 91.6 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 156.4 | 165.6 | -63.4 | -164.4 | 2.7 | 0 | 0 | 110.9 | G371 T372 L373 R375 G632 V633 Q803 | G371-Q630 PolarHBondContact O-NE2 3.42Å; T372-Q630 PolarHBondContact O-NE2 2.91Å; L373-Q630 PolarHBondContact O-N 2.88Å; R375-Q630 HydrophobicContact CG-CB 4.41Å; R375-Q630 HydrophobicContact CG-CG 3.99Å; Q630-G632 PolarHBondContact O-N 3.45Å; Q630-V633 HydrophobicContact CB-CG2 3.62Å; Q630-V633 WeakPolarHBondContact O-CG2 3.34Å; Q630-V633 PolarHBondContact O-N 3.12Å; Q630-Q803 VanDerWaalsContact OE1-CA 3.27Å |
| 631 | T | 90.3 | Very high | 91.5 | Very high | 53 Ų | 53 | 23.4 Ų | 23.4 | 33% | 0.325 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 127.1 | -179.3 | -43.9 | 0 | 0 | 0 | 0 | 110.9 | R375 V633 R805 | R375-T631 PolarHBondContact NH2-OG1 3.18Å; T631-V633 VanDerWaalsContact C-N 3.28Å; T631-V633 PolarHBondContact O-N 2.85Å; T631-R805 WeakPolarHBondContact O-CB 3.43Å |
| 632 | G | 91 | Very high | 91.3 | Very high | 32 Ų | 32 | 29 Ų | 29 | 33% | 0.33 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 14.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q630 T636 | Q630-G632 PolarHBondContact O-N 3.45Å; G632-T636 WeakPolarHBondContact O-CB 3.44Å; G632-T636 PolarHBondContact O-N 3.05Å; G632-T636 PolarHBondContact O-OG1 3.17Å |
| 633 | V | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.6 | -51.1 | 174.9 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | L373 Q630 T631 H635 T636 I637 C665 F804 | L373-V633 HydrophobicContact CB-CG1 4.48Å; L373-V633 HydrophobicContact CD2-CG1 3.88Å; Q630-V633 HydrophobicContact CB-CG2 3.62Å; Q630-V633 WeakPolarHBondContact O-CG2 3.34Å; Q630-V633 PolarHBondContact O-N 3.12Å; T631-V633 VanDerWaalsContact C-N 3.28Å; T631-V633 PolarHBondContact O-N 2.85Å; V633-H635 VanDerWaalsContact C-N 3.31Å; V633-H635 PolarHBondContact O-N 3.25Å; V633-T636 PolarHBondContact O-N 3.04Å; V633-T636 VanDerWaalsContact O-N 3.14Å; V633-I637 HydrophobicContact CG1-CD1 4.05Å; V633-I637 HydrophobicContact CG1-CG1 4.31Å; V633-I637 WeakPolarHBondContact O-CG1 3.36Å; V633-I637 PolarHBondContact O-N 3.35Å; V633-C665 HydrophobicContact CG1-CB 4.21Å; V633-F804 HydrophobicContact CB-CD1 4.42Å; V633-F804 HydrophobicContact CG1-CD1 4.3Å; V633-F804 HydrophobicContact CG1-CE1 4.47Å; V633-F804 HydrophobicContact CG2-CB 3.97Å; V633-F804 HydrophobicContact CG2-CD1 3.92Å; V633-F804 HydrophobicContact CG2-CG 4.2Å |
| 634 | P | 91.9 | Very high | 90.9 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 21% | 0.208 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | -178.2 | -22.7 | 33.3 | 0 | 0 | 0 | 112.6 | L629 S638 Q666 | L629-P634 HydrophobicContact CD1-CG 3.91Å; P634-S638 WeakPolarHBondContact O-CB 3.37Å; P634-S638 PolarHBondContact O-N 3.46Å; P634-Q666 HydrophobicContact CB-CG 4.19Å |
| 635 | H | 93 | Very high | 90.9 | Very high | 120 Ų | 120 | 29.6 Ų | 29.6 | 56% | 0.556 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -64.1 | -42.7 | 177.3 | -176.1 | 63.2 | 0 | 0 | 0 | 112.1 | V633 S638 N639 | V633-H635 VanDerWaalsContact C-N 3.31Å; V633-H635 PolarHBondContact O-N 3.25Å; H635-S638 PolarHBondContact O-N 3.16Å; H635-N639 PolarHBondContact CD2-ND2 3.26Å; H635-N639 PolarHBondContact CE1-ND2 3.07Å; H635-N639 PolarHBondContact NE2-ND2 3.19Å; H635-N639 PolarHBondContact O-N 2.96Å; H635-N639 PolarHBondContact O-ND2 2.78Å |
| 636 | T | 95 | Very high | 91 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -48.7 | 177.8 | -59 | 0 | 0 | 0 | 0 | 111.6 | G632 V633 S638 N639 L640 F804 R805 N808 | G632-T636 WeakPolarHBondContact O-CB 3.44Å; G632-T636 PolarHBondContact O-N 3.05Å; G632-T636 PolarHBondContact O-OG1 3.17Å; V633-T636 PolarHBondContact O-N 3.04Å; V633-T636 VanDerWaalsContact O-N 3.14Å; T636-S638 VanDerWaalsContact C-N 3.33Å; T636-S638 PolarHBondContact O-N 3.04Å; T636-N639 PolarHBondContact O-N 3.2Å; T636-L640 HydrophobicContact CG2-CD1 3.79Å; T636-L640 HydrophobicContact CG2-CG 4.28Å; T636-L640 VanDerWaalsContact O-CG 3.25Å; T636-L640 WeakPolarHBondContact O-CG 3.46Å; T636-L640 PolarHBondContact O-N 3.09Å; T636-F804 HydrophobicContact CG2-CD1 3.93Å; T636-F804 HydrophobicContact CG2-CE1 3.68Å; T636-R805 WeakPolarHBondContact OG1-CA 3.38Å; T636-N808 HydrophobicContact CG2-CB 3.84Å |
| 637 | I | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 178.2 | -68.9 | -166 | 0 | 0 | 0 | 110.9 | L373 V633 N639 L640 M641 I647 C665 L667 F804 | L373-I637 HydrophobicContact CD2-CD1 4.15Å; V633-I637 HydrophobicContact CG1-CD1 4.05Å; V633-I637 HydrophobicContact CG1-CG1 4.31Å; V633-I637 WeakPolarHBondContact O-CG1 3.36Å; V633-I637 PolarHBondContact O-N 3.35Å; I637-N639 PolarHBondContact O-N 2.92Å; I637-L640 PolarHBondContact O-N 3.06Å; I637-M641 HydrophobicContact CG2-CG 4.39Å; I637-M641 HydrophobicContact CG2-SD 3.85Å; I637-M641 WeakPolarHBondContact O-CB 3.35Å; I637-M641 WeakPolarHBondContact O-CG 3.4Å; I637-M641 PolarHBondContact O-N 3.5Å; I637-I647 HydrophobicContact CB-CD1 4.22Å; I637-I647 HydrophobicContact CG1-CD1 4.16Å; I637-I647 HydrophobicContact CG2-CD1 3.81Å; I637-C665 HydrophobicContact CD1-CB 3.85Å; I637-L667 HydrophobicContact CG2-CB 4.45Å; I637-L667 HydrophobicContact CG2-CD1 4.31Å; I637-F804 HydrophobicContact CD1-CE1 4.43Å; I637-F804 HydrophobicContact CD1-CZ 4.49Å; I637-F804 HydrophobicContact CG1-CE1 3.78Å; I637-F804 HydrophobicContact CG1-CZ 4.11Å |
| 638 | S | 91.6 | Very high | 91.8 | Very high | 43 Ų | 43 | 28 Ų | 28 | 30% | 0.301 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.1 | -45 | 176.8 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | P634 H635 T636 M641 R642 | P634-S638 WeakPolarHBondContact O-CB 3.37Å; P634-S638 PolarHBondContact O-N 3.46Å; H635-S638 PolarHBondContact O-N 3.16Å; T636-S638 VanDerWaalsContact C-N 3.33Å; T636-S638 PolarHBondContact O-N 3.04Å; S638-M641 PolarHBondContact O-N 3.07Å; S638-R642 WeakPolarHBondContact O-CG 3.24Å; S638-R642 PolarHBondContact O-N 3.38Å |
| 639 | N | 92.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 6% | 0.059 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 177.1 | -73 | -21.2 | 0 | 0 | 0 | 112.6 | H635 T636 I637 R642 A643 N808 L812 P891 | H635-N639 PolarHBondContact CD2-ND2 3.26Å; H635-N639 PolarHBondContact CE1-ND2 3.07Å; H635-N639 PolarHBondContact NE2-ND2 3.19Å; H635-N639 PolarHBondContact O-N 2.96Å; H635-N639 PolarHBondContact O-ND2 2.78Å; T636-N639 PolarHBondContact O-N 3.2Å; I637-N639 PolarHBondContact O-N 2.92Å; N639-R642 PolarHBondContact O-N 3.05Å; N639-A643 PolarHBondContact O-N 2.8Å; N639-N808 PolarHBondContact ND2-ND2 3.5Å; N639-L812 HydrophobicContact CB-CD1 4.46Å; N639-P891 HydrophobicContact CB-CB 4.48Å; N639-P891 HydrophobicContact CB-CG 3.83Å; N639-P891 WeakPolarHBondContact O-CB 3.16Å |
| 640 | L | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 178.4 | -66.5 | 172.8 | 0 | 0 | 0 | 111.5 | I365 T636 I637 R642 A643 G644 I645 I647 L807 L811 | I365-L640 HydrophobicContact CD1-CD1 3.88Å; T636-L640 HydrophobicContact CG2-CD1 3.79Å; T636-L640 HydrophobicContact CG2-CG 4.28Å; T636-L640 VanDerWaalsContact O-CG 3.25Å; T636-L640 WeakPolarHBondContact O-CG 3.46Å; T636-L640 PolarHBondContact O-N 3.09Å; I637-L640 PolarHBondContact O-N 3.06Å; L640-R642 VanDerWaalsContact C-N 3.33Å; L640-R642 PolarHBondContact O-N 3.17Å; L640-A643 WeakPolarHBondContact O-CB 3.47Å; L640-A643 PolarHBondContact O-N 3.36Å; L640-A643 VanDerWaalsContact O-N 3.16Å; L640-G644 PolarHBondContact O-N 2.89Å; L640-I645 HydrophobicContact CB-CB 4.42Å; L640-I645 HydrophobicContact CB-CD1 4.32Å; L640-I645 HydrophobicContact CD2-CD1 3.68Å; L640-I645 WeakPolarHBondContact O-CB 3.27Å; L640-I645 PolarHBondContact O-N 3.42Å; L640-I647 HydrophobicContact CB-CD1 4.09Å; L640-I647 HydrophobicContact CD1-CD1 4.37Å; L640-L807 HydrophobicContact CD1-CD2 4.16Å; L640-L811 HydrophobicContact CD2-CD1 3.85Å |
| 641 | M | 90.8 | Very high | 92.2 | Very high | 43 Ų | 43 | 23.3 Ų | 23.3 | 21% | 0.212 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 173.3 | -73.5 | 175.7 | 55.3 | 0 | 0 | 111.8 | I637 S638 A643 G644 I647 L667 K735 | I637-M641 HydrophobicContact CG2-CG 4.39Å; I637-M641 HydrophobicContact CG2-SD 3.85Å; I637-M641 WeakPolarHBondContact O-CB 3.35Å; I637-M641 WeakPolarHBondContact O-CG 3.4Å; I637-M641 PolarHBondContact O-N 3.5Å; S638-M641 PolarHBondContact O-N 3.07Å; M641-A643 VanDerWaalsContact C-N 3.31Å; M641-A643 PolarHBondContact O-N 2.92Å; M641-G644 PolarHBondContact O-N 2.81Å; M641-I647 HydrophobicContact CG-CD1 4.29Å; M641-L667 HydrophobicContact SD-CD1 4.19Å; M641-K735 HydrophobicContact CE-CD 4.1Å; M641-K735 HydrophobicContact CE-CG 4.45Å |
| 642 | R | 89.7 | Confident | 91.6 | Very high | 116 Ų | 116 | 23 Ų | 23 | 44% | 0.438 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.8 | -33.8 | 173.9 | -74.6 | -179.7 | 65.8 | 172.5 | -5.5 | 112.9 | S638 N639 L640 G644 P891 E892 K895 | S638-R642 WeakPolarHBondContact O-CG 3.24Å; S638-R642 PolarHBondContact O-N 3.38Å; N639-R642 PolarHBondContact O-N 3.05Å; L640-R642 VanDerWaalsContact C-N 3.33Å; L640-R642 PolarHBondContact O-N 3.17Å; R642-G644 PolarHBondContact O-N 2.61Å; R642-P891 HydrophobicContact CB-CB 4.33Å; R642-E892 IonicContact CZ-OE1 2.75Å; R642-E892 VanDerWaalsContact CZ-OE1 3.25Å; R642-E892 IonicContact NE-OE1 3.94Å; R642-E892 PolarHBondContact NE-OE1 2.85Å; R642-E892 IonicContact NH2-OE1 3.66Å; R642-E892 PolarHBondContact NH2-OE1 3.09Å; R642-E892 IonicContact NH2-OE2 3.25Å; R642-K895 WeakPolarHBondContact O-CE 3.4Å |
| 643 | A | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -7.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N639 L640 M641 I645 L812 P891 Y894 K895 Q898 | N639-A643 PolarHBondContact O-N 2.8Å; L640-A643 WeakPolarHBondContact O-CB 3.47Å; L640-A643 PolarHBondContact O-N 3.36Å; L640-A643 VanDerWaalsContact O-N 3.16Å; M641-A643 VanDerWaalsContact C-N 3.31Å; M641-A643 PolarHBondContact O-N 2.92Å; A643-I645 HydrophobicContact CB-CD1 4.2Å; A643-I645 HydrophobicContact CB-CG1 4.36Å; A643-L812 HydrophobicContact CB-CD2 3.71Å; A643-P891 WeakPolarHBondContact CA-O 3.47Å; A643-P891 HydrophobicContact CB-CB 3.9Å; A643-P891 WeakPolarHBondContact CB-O 3.28Å; A643-Y894 HydrophobicContact CB-CD1 4.16Å; A643-Y894 HydrophobicContact CB-CG 4.37Å; A643-K895 WeakPolarHBondContact O-CG 3.32Å; A643-Q898 PolarHBondContact O-OE1 2.84Å |
| 644 | G | 88.5 | Confident | 90 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 28.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L640 M641 R642 Q898 | L640-G644 PolarHBondContact O-N 2.89Å; M641-G644 PolarHBondContact O-N 2.81Å; R642-G644 PolarHBondContact O-N 2.61Å; G644-Q898 PolarHBondContact O-NE2 3.25Å |
| 645 | I | 92 | Very high | 89.5 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | trans | -101 | 124.3 | 174.9 | -58.7 | 166.4 | 0 | 0 | 0 | 108.8 | R363 I365 L640 A643 L811 Y894 | R363-I645 WeakPolarHBondContact O-CA 3.32Å; I365-I645 HydrophobicContact CB-CG2 4.29Å; I365-I645 HydrophobicContact CD1-CG2 3.51Å; I365-I645 HydrophobicContact CG1-CG2 3.57Å; L640-I645 HydrophobicContact CB-CB 4.42Å; L640-I645 HydrophobicContact CB-CD1 4.32Å; L640-I645 HydrophobicContact CD2-CD1 3.68Å; L640-I645 WeakPolarHBondContact O-CB 3.27Å; L640-I645 PolarHBondContact O-N 3.42Å; A643-I645 HydrophobicContact CB-CD1 4.2Å; A643-I645 HydrophobicContact CB-CG1 4.36Å; I645-L811 HydrophobicContact CD1-CD1 4.31Å; I645-Y894 HydrophobicContact CD1-CD1 4.19Å; I645-Y894 HydrophobicContact CD1-CE1 3.83Å; I645-Y894 HydrophobicContact CG1-CD1 4.4Å; I645-Y894 HydrophobicContact CG1-CE1 4.1Å | ||
| 646 | S | 90.8 | Very high | 88.8 | Confident | 15 Ų | 15 | 22.6 Ų | 22.6 | 11% | 0.105 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.4 | 174.6 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | R363 Y364 I365 | R363-S646 PolarHBondContact O-N 3.06Å; Y364-S646 WeakPolarHBondContact CA-O 3.07Å; I365-S646 PolarHBondContact N-O 3.3Å |
| 647 | I | 94.2 | Very high | 88 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.5 | -177.3 | -61.6 | 165.2 | 0 | 0 | 0 | 109.4 | I365 I637 L640 M641 L667 | I365-I647 HydrophobicContact CB-CG1 4.22Å; I365-I647 CarbonylContact O-C 3.58Å; I365-I647 WeakPolarHBondContact O-CA 3.35Å; I637-I647 HydrophobicContact CB-CD1 4.22Å; I637-I647 HydrophobicContact CG1-CD1 4.16Å; I637-I647 HydrophobicContact CG2-CD1 3.81Å; L640-I647 HydrophobicContact CB-CD1 4.09Å; L640-I647 HydrophobicContact CD1-CD1 4.37Å; M641-I647 HydrophobicContact CG-CD1 4.29Å; I647-L667 HydrophobicContact CB-CD1 3.98Å; I647-L667 HydrophobicContact CG2-CD1 4.27Å |
| 648 | W | 95.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.4 | 178.3 | -68.1 | 28 | 0 | 0 | 0 | 108 | I365 F366 S367 A731 L732 V737 L750 V754 | I365-W648 PolarHBondContact O-N 2.99Å; F366-W648 CarbonylContact C-O 3.55Å; F366-W648 WeakPolarHBondContact CA-O 3.46Å; F366-W648 HydrophobicContact CD1-CB 3.8Å; F366-W648 HydrophobicContact CD1-CD2 4.4Å; F366-W648 HydrophobicContact CD1-CE3 4.19Å; F366-W648 HydrophobicContact CD1-CG 4.3Å; F366-W648 HydrophobicContact CE1-CB 4.13Å; F366-W648 AromaticContact CE1-CD2 3.83Å; F366-W648 HydrophobicContact CE1-CD2 3.83Å; F366-W648 AromaticContact CE1-CE3 3.51Å; F366-W648 HydrophobicContact CE1-CE3 3.51Å; F366-W648 HydrophobicContact CE1-CG 4.14Å; F366-W648 HydrophobicContact CE1-CZ3 4.15Å; F366-W648 HydrophobicContact CZ-CE3 4.48Å; S367-W648 PolarHBondContact N-O 2.7Å; W648-A731 HydrophobicContact CH2-CB 3.5Å; W648-A731 HydrophobicContact CZ2-CB 3.97Å; W648-A731 HydrophobicContact CZ3-CB 4.25Å; W648-L732 HydrophobicContact CZ2-CD2 4.12Å; W648-V737 CarbonylContact C-O 3.58Å; W648-V737 WeakPolarHBondContact CA-O 3.18Å; W648-V737 HydrophobicContact CB-CB 4.35Å; W648-V737 HydrophobicContact CD2-CB 3.67Å; W648-V737 HydrophobicContact CD2-CG1 4.3Å; W648-V737 HydrophobicContact CD2-CG2 3.79Å; W648-V737 HydrophobicContact CE3-CB 4.01Å; W648-V737 HydrophobicContact CE3-CG1 4.12Å; W648-V737 HydrophobicContact CE3-CG2 4.26Å; W648-V737 HydrophobicContact CG-CB 3.8Å; W648-V737 HydrophobicContact CG-CG2 4.2Å; W648-V737 HydrophobicContact CH2-CG2 4.35Å; W648-V737 HydrophobicContact CZ2-CG2 3.82Å; W648-L750 HydrophobicContact CE3-CD2 4.16Å; W648-L750 HydrophobicContact CE3-CG 4.46Å; W648-L750 HydrophobicContact CZ3-CD1 4.1Å; W648-L750 HydrophobicContact CZ3-CD2 4.29Å; W648-L750 HydrophobicContact CZ3-CG 4.24Å; W648-V754 HydrophobicContact CH2-CG2 3.82Å; W648-V754 HydrophobicContact CZ3-CG2 3.87Å |
| 649 | V | 94.9 | Very high | 87.3 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 4% | 0.036 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.5 | 179.7 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | S367 K369 L373 L667 V737 I738 C739 | S367-V649 CarbonylContact O-C 3.58Å; S367-V649 WeakPolarHBondContact O-CA 3.39Å; K369-V649 HydrophobicContact CB-CG1 4.23Å; L373-V649 HydrophobicContact CD1-CG1 4.39Å; L373-V649 HydrophobicContact CD1-CG2 4.12Å; V649-L667 HydrophobicContact CG2-CD2 3.51Å; V649-V737 PolarHBondContact N-O 3.41Å; V649-I738 HydrophobicContact CB-CG1 4.41Å; V649-I738 HydrophobicContact CB-CG2 4.49Å; V649-I738 CarbonylContact O-C 3.55Å; V649-I738 WeakPolarHBondContact O-CA 3.17Å; V649-C739 PolarHBondContact O-N 2.82Å |
| 650 | L | 93.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 102.6 | -179.2 | -49.5 | -173.8 | 0 | 0 | 0 | 108.7 | F366 S367 C739 K747 L750 V751 M775 | F366-L650 HydrophobicContact CB-CD1 4.22Å; F366-L650 HydrophobicContact CD1-CD1 3.96Å; F366-L650 HydrophobicContact CD1-CG 4.42Å; F366-L650 HydrophobicContact CG-CD1 4.48Å; S367-L650 PolarHBondContact O-N 2.64Å; L650-C739 HydrophobicContact CD2-CB 3.77Å; L650-K747 HydrophobicContact CB-CD 4.31Å; L650-K747 HydrophobicContact CB-CG 4.06Å; L650-K747 HydrophobicContact CD1-CB 4.27Å; L650-K747 HydrophobicContact CD1-CG 4.45Å; L650-K747 WeakPolarHBondContact O-CE 3.32Å; L650-K747 PolarHBondContact O-NZ 2.65Å; L650-L750 HydrophobicContact CD1-CD2 3.93Å; L650-L750 HydrophobicContact CD2-CD2 3.39Å; L650-L750 HydrophobicContact CG-CD2 4.33Å; L650-V751 HydrophobicContact CD1-CG2 4.49Å; L650-M775 HydrophobicContact CB-SD 4.47Å; L650-M775 HydrophobicContact CD1-SD 3.85Å; L650-M775 HydrophobicContact CG-SD 4.48Å |
| 651 | T | 88.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -121.6 | 147 | -173.9 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | D653 A658 C739 C740 R741 V742 | T651-D653 HydrophobicContact CG2-CB 4.23Å; T651-D653 WeakPolarHBondContact OG1-CB 3.47Å; T651-D653 PolarHBondContact OG1-N 2.75Å; T651-A658 HydrophobicContact CG2-CB 3.73Å; T651-C739 PolarHBondContact N-O 2.72Å; T651-C740 CarbonylContact O-C 3.5Å; T651-R741 PolarHBondContact O-N 2.82Å; T651-V742 PolarHBondContact O-N 3Å | ||
| 652 | G | 78.7 | Confident | 86.3 | Confident | 47 Ų | 47 | 19.5 Ų | 19.5 | 49% | 0.485 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -76.3 | -10.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 653 | D | 76.7 | Confident | 86.1 | Confident | 40 Ų | 40 | 17.4 Ų | 17.4 | 21% | 0.214 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -72.4 | 166 | -176.9 | -85.4 | -20.8 | 0 | 0 | 0 | 114.1 | K369 T651 T657 R741 | K369-D653 WeakPolarHBondContact CD-OD2 3.44Å; K369-D653 WeakPolarHBondContact CE-OD2 3.46Å; K369-D653 IonicContact NZ-OD2 2.84Å; K369-D653 PolarHBondContact NZ-OD2 2.69Å; T651-D653 HydrophobicContact CG2-CB 4.23Å; T651-D653 WeakPolarHBondContact OG1-CB 3.47Å; T651-D653 PolarHBondContact OG1-N 2.75Å; D653-T657 HydrophobicContact CB-CG2 4.41Å; D653-R741 PolarHBondContact O-N 3.45Å |
| 654 | K | 73.5 | Confident | 85.9 | Confident | 48 Ų | 48 | 18.8 Ų | 18.8 | 21% | 0.209 | 11% | 0.109 | C | C | . | . | trans | -59.8 | 152.7 | 170.4 | -60.4 | -179.5 | -177.8 | 173.9 | 0 | 111 | E656 T657 A658 F1123 E1127 | K654-E656 PolarHBondContact O-N 3.39Å; K654-T657 PolarHBondContact O-N 3.4Å; K654-A658 PolarHBondContact O-N 3.06Å; K654-A658 VanDerWaalsContact O-N 3.15Å; K654-F1123 PolarHBondContact NZ-O 3.34Å; K654-E1127 IonicContact NZ-OE1 2.71Å | ||
| 655 | Q | 81.8 | Confident | 85.9 | Confident | 37 Ų | 37 | 18.4 Ų | 18.4 | 17% | 0.173 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | -174.6 | 179.3 | -176.9 | -23.1 | 0 | 0 | 112.5 | T657 A658 I659 T676 N678 I709 C740 | Q655-T657 VanDerWaalsContact C-N 3.33Å; Q655-T657 PolarHBondContact O-N 3.26Å; Q655-A658 WeakPolarHBondContact O-CB 3.14Å; Q655-A658 PolarHBondContact O-N 3.07Å; Q655-A658 VanDerWaalsContact O-N 3.12Å; Q655-I659 HydrophobicContact CG-CD1 3.8Å; Q655-I659 HydrophobicContact CG-CG1 4.38Å; Q655-I659 WeakPolarHBondContact O-CG1 3.24Å; Q655-I659 PolarHBondContact O-N 3.06Å; Q655-T676 VanDerWaalsContact NE2-CG2 3.32Å; Q655-N678 PolarHBondContact OE1-ND2 3.46Å; Q655-N678 PolarHBondContact OE1-OD1 2.99Å; Q655-I709 HydrophobicContact CG-CG2 3.79Å; Q655-C740 HydrophobicContact CB-CB 4.16Å |
| 656 | E | 77.6 | Confident | 85.5 | Confident | 50 Ų | 50 | 23.2 Ų | 23.2 | 23% | 0.234 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | -178.1 | -56.2 | 90.1 | 156.7 | 0 | 0 | 110.8 | K654 A658 I659 N660 Y1121 | K654-E656 PolarHBondContact O-N 3.39Å; E656-A658 PolarHBondContact O-N 2.88Å; E656-I659 PolarHBondContact O-N 3.27Å; E656-N660 WeakPolarHBondContact O-CB 3.36Å; E656-N660 PolarHBondContact O-N 2.74Å; E656-Y1121 WeakPolarHBondContact CB-O 3.34Å |
| 657 | T | 77.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 173.9 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | K369 D653 K654 Q655 N660 I661 | K369-T657 HydrophobicContact CD-CG2 4.38Å; D653-T657 HydrophobicContact CB-CG2 4.41Å; K654-T657 PolarHBondContact O-N 3.4Å; Q655-T657 VanDerWaalsContact C-N 3.33Å; Q655-T657 PolarHBondContact O-N 3.26Å; T657-N660 PolarHBondContact O-N 3.36Å; T657-I661 WeakPolarHBondContact O-CG1 3.46Å; T657-I661 PolarHBondContact O-N 3.4Å |
| 658 | A | 85.1 | Confident | 85 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T651 K654 Q655 E656 G662 I738 | T651-A658 HydrophobicContact CG2-CB 3.73Å; K654-A658 PolarHBondContact O-N 3.06Å; K654-A658 VanDerWaalsContact O-N 3.15Å; Q655-A658 WeakPolarHBondContact O-CB 3.14Å; Q655-A658 PolarHBondContact O-N 3.07Å; Q655-A658 VanDerWaalsContact O-N 3.12Å; E656-A658 PolarHBondContact O-N 2.88Å; A658-G662 PolarHBondContact O-N 2.84Å; A658-I738 HydrophobicContact CB-CG2 3.73Å |
| 659 | I | 85.3 | Confident | 84.3 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.6 | -46.5 | 175.4 | -67.2 | 168.4 | 0 | 0 | 0 | 110.5 | Q655 E656 I661 G662 Y663 L668 I709 | Q655-I659 HydrophobicContact CG-CD1 3.8Å; Q655-I659 HydrophobicContact CG-CG1 4.38Å; Q655-I659 WeakPolarHBondContact O-CG1 3.24Å; Q655-I659 PolarHBondContact O-N 3.06Å; E656-I659 PolarHBondContact O-N 3.27Å; I659-I661 PolarHBondContact O-N 2.91Å; I659-G662 WeakPolarHBondContact O-CA 3.41Å; I659-G662 PolarHBondContact O-N 3.42Å; I659-Y663 HydrophobicContact CG2-CD2 3.87Å; I659-Y663 HydrophobicContact CG2-CE2 3.57Å; I659-Y663 VanDerWaalsContact O-CD2 3.31Å; I659-Y663 WeakPolarHBondContact O-CD2 3.43Å; I659-Y663 PolarHBondContact O-N 3.01Å; I659-L668 HydrophobicContact CG2-CD1 4.28Å; I659-I709 HydrophobicContact CD1-CD1 3.79Å; I659-I709 HydrophobicContact CG1-CD1 3.78Å |
| 660 | N | 82.9 | Confident | 83.4 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.043 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 177.7 | -75.8 | -14.8 | 0 | 0 | 0 | 111.3 | E656 T657 G662 Y663 S664 G1120 | E656-N660 WeakPolarHBondContact O-CB 3.36Å; E656-N660 PolarHBondContact O-N 2.74Å; T657-N660 PolarHBondContact O-N 3.36Å; N660-G662 VanDerWaalsContact C-N 3.3Å; N660-G662 PolarHBondContact O-N 3.41Å; N660-Y663 PolarHBondContact O-N 2.94Å; N660-Y663 VanDerWaalsContact O-N 3.17Å; N660-S664 PolarHBondContact O-N 3.2Å; N660-S664 PolarHBondContact O-OG 2.83Å; N660-S664 VanDerWaalsContact O-OG 3.07Å; N660-G1120 PolarHBondContact ND2-O 3.04Å |
| 661 | I | 86.5 | Confident | 82.6 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | 174.2 | -66.3 | -55.8 | 0 | 0 | 0 | 111.8 | K369 L373 T374 D627 L629 T657 I659 Y663 S664 C665 | K369-I661 HydrophobicContact CD-CB 4.48Å; K369-I661 HydrophobicContact CD-CG1 3.94Å; K369-I661 HydrophobicContact CG-CB 4.24Å; K369-I661 HydrophobicContact CG-CG1 4.15Å; K369-I661 HydrophobicContact CG-CG2 3.88Å; L373-I661 HydrophobicContact CD1-CG2 4.38Å; T374-I661 HydrophobicContact CG2-CD1 3.59Å; T374-I661 HydrophobicContact CG2-CG1 4.16Å; D627-I661 HydrophobicContact CB-CD1 4Å; L629-I661 HydrophobicContact CD2-CD1 4Å; L629-I661 HydrophobicContact CD2-CG2 4.3Å; T657-I661 WeakPolarHBondContact O-CG1 3.46Å; T657-I661 PolarHBondContact O-N 3.4Å; I659-I661 PolarHBondContact O-N 2.91Å; I661-Y663 VanDerWaalsContact C-N 3.27Å; I661-Y663 PolarHBondContact O-N 3.3Å; I661-S664 PolarHBondContact O-N 3.39Å; I661-C665 VanDerWaalsContact O-CB 3.28Å; I661-C665 WeakPolarHBondContact O-CB 3.4Å; I661-C665 PolarHBondContact O-N 3.44Å; I661-C665 PolarHBondContact O-SG 2.87Å; I661-C665 VanDerWaalsContact O-SG 3.33Å |
| 662 | G | 88.4 | Confident | 82.2 | Confident | 4 Ų | 4 | 37 Ų | 37 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.9 | -41 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | A658 I659 N660 L667 L668 | A658-G662 PolarHBondContact O-N 2.84Å; I659-G662 WeakPolarHBondContact O-CA 3.41Å; I659-G662 PolarHBondContact O-N 3.42Å; N660-G662 VanDerWaalsContact C-N 3.3Å; N660-G662 PolarHBondContact O-N 3.41Å; G662-L667 PolarHBondContact O-N 3.39Å; G662-L668 PolarHBondContact O-N 2.87Å |
| 663 | Y | 85.9 | Confident | 82.5 | Confident | 72 Ų | 72 | 36 Ų | 36 | 28% | 0.282 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72 | -46.9 | 173.4 | -75.4 | -67 | 0 | 0 | 0 | 112.6 | I659 N660 I661 C665 Q666 L668 | I659-Y663 HydrophobicContact CG2-CD2 3.87Å; I659-Y663 HydrophobicContact CG2-CE2 3.57Å; I659-Y663 VanDerWaalsContact O-CD2 3.31Å; I659-Y663 WeakPolarHBondContact O-CD2 3.43Å; I659-Y663 PolarHBondContact O-N 3.01Å; N660-Y663 PolarHBondContact O-N 2.94Å; N660-Y663 VanDerWaalsContact O-N 3.17Å; I661-Y663 VanDerWaalsContact C-N 3.27Å; I661-Y663 PolarHBondContact O-N 3.3Å; Y663-C665 VanDerWaalsContact C-N 3.26Å; Y663-C665 PolarHBondContact O-N 3.33Å; Y663-Q666 PolarHBondContact O-N 2.83Å; Y663-L668 HydrophobicContact CD1-CB 3.81Å; Y663-L668 HydrophobicContact CD2-CD1 4.39Å; Y663-L668 HydrophobicContact CE1-CB 3.86Å; Y663-L668 HydrophobicContact CE2-CD1 4.29Å; Y663-L668 HydrophobicContact CG-CB 4.21Å |
| 664 | S | 85.6 | Confident | 83 | Confident | 30 Ų | 30 | 37 Ų | 37 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -38.7 | 180 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | N660 I661 Q666 | N660-S664 PolarHBondContact O-N 3.2Å; N660-S664 PolarHBondContact O-OG 2.83Å; N660-S664 VanDerWaalsContact O-OG 3.07Å; I661-S664 PolarHBondContact O-N 3.39Å; S664-Q666 VanDerWaalsContact C-N 3.28Å; S664-Q666 PolarHBondContact O-N 2.82Å |
| 665 | C | 88.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.2 | 179 | -66.6 | 0 | 0 | 0 | 0 | 114.2 | L629 V633 I637 I661 Y663 L667 | L629-C665 HydrophobicContact CD1-CB 4.42Å; L629-C665 VanDerWaalsContact CD1-SG 3.52Å; L629-C665 WeakPolarHBondContact CD2-SG 3.21Å; V633-C665 HydrophobicContact CG1-CB 4.21Å; I637-C665 HydrophobicContact CD1-CB 3.85Å; I661-C665 VanDerWaalsContact O-CB 3.28Å; I661-C665 WeakPolarHBondContact O-CB 3.4Å; I661-C665 PolarHBondContact O-N 3.44Å; I661-C665 PolarHBondContact O-SG 2.87Å; I661-C665 VanDerWaalsContact O-SG 3.33Å; Y663-C665 VanDerWaalsContact C-N 3.26Å; Y663-C665 PolarHBondContact O-N 3.33Å; C665-L667 PolarHBondContact O-N 3.35Å |
| 666 | Q | 85.3 | Confident | 84.1 | Confident | 104 Ų | 104 | 36.8 Ų | 36.8 | 49% | 0.486 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 20.2 | -173.4 | -57.8 | -179.8 | -8.8 | 0 | 0 | 114.8 | P634 Y663 S664 | P634-Q666 HydrophobicContact CB-CG 4.19Å; Y663-Q666 PolarHBondContact O-N 2.83Å; S664-Q666 VanDerWaalsContact C-N 3.28Å; S664-Q666 PolarHBondContact O-N 2.82Å |
| 667 | L | 87.8 | Confident | 84.6 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -69.7 | -43.1 | 170.2 | -177.8 | 67.5 | 0 | 0 | 0 | 109.7 | I637 M641 I647 V649 G662 C665 I738 | I637-L667 HydrophobicContact CG2-CB 4.45Å; I637-L667 HydrophobicContact CG2-CD1 4.31Å; M641-L667 HydrophobicContact SD-CD1 4.19Å; I647-L667 HydrophobicContact CB-CD1 3.98Å; I647-L667 HydrophobicContact CG2-CD1 4.27Å; V649-L667 HydrophobicContact CG2-CD2 3.51Å; G662-L667 PolarHBondContact O-N 3.39Å; C665-L667 PolarHBondContact O-N 3.35Å; L667-I738 HydrophobicContact CD2-CD1 4.31Å; L667-I738 HydrophobicContact CD2-CG1 4.26Å |
| 668 | L | 86.7 | Confident | 85 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -97.3 | 133.3 | 171.3 | -56.3 | -179.2 | 0 | 0 | 0 | 109.2 | I659 G662 Y663 L674 A707 I738 | I659-L668 HydrophobicContact CG2-CD1 4.28Å; G662-L668 PolarHBondContact O-N 2.87Å; Y663-L668 HydrophobicContact CD1-CB 3.81Å; Y663-L668 HydrophobicContact CD2-CD1 4.39Å; Y663-L668 HydrophobicContact CE1-CB 3.86Å; Y663-L668 HydrophobicContact CE2-CD1 4.29Å; Y663-L668 HydrophobicContact CG-CB 4.21Å; L668-L674 HydrophobicContact CD1-CD2 4.03Å; L668-L674 HydrophobicContact CD2-CD2 3.86Å; L668-L674 HydrophobicContact CG-CD2 4.46Å; L668-A707 HydrophobicContact CD2-CB 3.43Å; L668-A707 VanDerWaalsContact CD2-CB 3.43Å; L668-I738 HydrophobicContact CD1-CD1 3.78Å; L668-I738 HydrophobicContact CD2-CD1 4.09Å; L668-I738 HydrophobicContact CG-CD1 4.03Å |
| 669 | T | 80.9 | Confident | 85.1 | Confident | 54 Ų | 54 | 38.1 Ų | 38.1 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | trans | -127.4 | 156.1 | 174.2 | 54 | 0 | 0 | 0 | 0 | 108.5 | S671 I672 | T669-S671 PolarHBondContact O-N 3.37Å; T669-S671 PolarHBondContact OG1-OG 2.97Å; T669-I672 PolarHBondContact O-N 2.9Å; T669-I672 WeakPolarHBondContact OG1-CD1 3.37Å; T669-I672 WeakPolarHBondContact OG1-CG1 3.4Å | ||
| 670 | Q | 75.1 | Confident | 85.1 | Confident | 158 Ų | 158 | 45.5 Ų | 45.5 | 74% | 0.738 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.4 | -179.2 | -63.4 | 178.2 | -1.1 | 0 | 0 | 113.7 | ||
| 671 | S | 76.6 | Confident | 85.4 | Confident | 88 Ų | 88 | 47 Ų | 47 | 62% | 0.615 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -23.2 | 174.2 | 44.3 | 0 | 0 | 0 | 0 | 114.1 | T669 | T669-S671 PolarHBondContact O-N 3.37Å; T669-S671 PolarHBondContact OG1-OG 2.97Å |
| 672 | I | 80.9 | Confident | 85.5 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -86.7 | 129.9 | -177.4 | -64 | 170.1 | 0 | 0 | 0 | 108.7 | T669 D705 A707 K735 | T669-I672 PolarHBondContact O-N 2.9Å; T669-I672 WeakPolarHBondContact OG1-CD1 3.37Å; T669-I672 WeakPolarHBondContact OG1-CG1 3.4Å; I672-D705 WeakPolarHBondContact CA-O 3.35Å; I672-D705 HydrophobicContact CG1-CB 4.48Å; I672-A707 HydrophobicContact CG2-CB 3.69Å; I672-K735 HydrophobicContact CD1-CD 4.23Å |
| 673 | S | 84.5 | Confident | 85.5 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.7 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | D705 F706 A707 | S673-D705 PolarHBondContact N-O 3.39Å; S673-F706 WeakPolarHBondContact O-CA 3.38Å; S673-A707 PolarHBondContact O-N 3.41Å |
| 674 | L | 86.8 | Confident | 85.7 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.8 | -179 | -54.8 | -177.6 | 0 | 0 | 0 | 110.3 | L668 A707 I709 | L668-L674 HydrophobicContact CD1-CD2 4.03Å; L668-L674 HydrophobicContact CD2-CD2 3.86Å; L668-L674 HydrophobicContact CG-CD2 4.46Å; L674-A707 HydrophobicContact CD2-CB 3.87Å; L674-I709 HydrophobicContact CB-CD1 4.06Å; L674-I709 HydrophobicContact CD1-CD1 4.03Å; L674-I709 HydrophobicContact CD2-CD1 4.22Å; L674-I709 HydrophobicContact CG-CD1 4.32Å |
| 675 | L | 88.9 | Confident | 85.8 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 108.2 | 172.7 | -61.4 | 173.9 | 0 | 0 | 0 | 107.9 | L692 F696 F706 A707 L708 I709 | L675-L692 HydrophobicContact CD1-CD2 4.3Å; L675-L692 HydrophobicContact CD2-CD2 4.01Å; L675-F696 HydrophobicContact CD1-CE2 4.04Å; L675-F696 HydrophobicContact CD1-CZ 3.71Å; L675-F706 HydrophobicContact CD1-CB 3.96Å; L675-F706 HydrophobicContact CD1-CD1 4.12Å; L675-F706 HydrophobicContact CD1-CG 4.18Å; L675-F706 HydrophobicContact CD2-CD1 4.31Å; L675-F706 HydrophobicContact CG-CB 4.42Å; L675-F706 HydrophobicContact CG-CD1 4.13Å; L675-A707 PolarHBondContact N-O 3.2Å; L675-L708 HydrophobicContact CB-CD1 4.16Å; L675-L708 CarbonylContact O-C 3.58Å; L675-L708 WeakPolarHBondContact O-CA 3.4Å; L675-I709 PolarHBondContact O-N 3.24Å |
| 676 | T | 88.6 | Confident | 85.9 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.1 | -177 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | Q655 Q688 I709 | Q655-T676 VanDerWaalsContact NE2-CG2 3.32Å; T676-Q688 PolarHBondContact O-NE2 3.25Å; T676-I709 WeakPolarHBondContact CA-O 3.39Å; T676-I709 HydrophobicContact CG2-CG2 4.46Å |
| 677 | M | 88 | Confident | 86.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 102 | 177.3 | -69.4 | -173.6 | 65.2 | 0 | 0 | 110.8 | T685 L689 L692 L708 I709 D711 T714 | M677-T685 HydrophobicContact CE-CG2 4.15Å; M677-L689 HydrophobicContact CE-CD1 4.49Å; M677-L689 HydrophobicContact CE-CD2 3.64Å; M677-L689 HydrophobicContact CE-CG 3.71Å; M677-L689 HydrophobicContact SD-CD2 3.86Å; M677-L692 HydrophobicContact CG-CD1 4.35Å; M677-L692 HydrophobicContact SD-CD1 4.04Å; M677-L708 HydrophobicContact CG-CD1 4.19Å; M677-L708 HydrophobicContact SD-CD1 3.98Å; M677-I709 PolarHBondContact N-O 3.36Å; M677-D711 PolarHBondContact O-N 2.9Å; M677-T714 HydrophobicContact CB-CG2 4.11Å; M677-T714 HydrophobicContact CE-CG2 3.97Å; M677-T714 PolarHBondContact O-OG1 3.15Å |
| 678 | N | 86.8 | Confident | 86.1 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | trans | -128 | 75 | 179.5 | -67.9 | -12.3 | 0 | 0 | 0 | 109.4 | Q655 | Q655-N678 PolarHBondContact OE1-ND2 3.46Å; Q655-N678 PolarHBondContact OE1-OD1 2.99Å | ||
| 679 | T | 87.2 | Confident | 86.2 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | trans | -101.4 | 150.5 | -176 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | Q684 T685 T714 | T679-Q684 HydrophobicContact CG2-CB 4.15Å; T679-T685 PolarHBondContact OG1-OG1 3.46Å; T679-T714 HydrophobicContact CG2-CG2 4.46Å; T679-T714 PolarHBondContact N-OG1 3.03Å; T679-T714 PolarHBondContact O-OG1 3.18Å; T679-T714 WeakPolarHBondContact OG1-CG2 3.34Å; T679-T714 PolarHBondContact OG1-OG1 2.8Å | ||
| 680 | K | 86 | Confident | 86.5 | Confident | 165 Ų | 165 | 62.7 Ų | 62.7 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -103.6 | -11.7 | -178.8 | -62.5 | -174.6 | -179.8 | -179.6 | 0 | 113.4 | ||
| 681 | S | 88.6 | Confident | 87.2 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 28% | 0.28 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -139.6 | 158.6 | -178.5 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | D683 Q684 T685 | S681-D683 PolarHBondContact O-N 2.84Å; S681-Q684 PolarHBondContact O-N 2.94Å; S681-Q684 VanDerWaalsContact OG-CG 3.29Å; S681-Q684 WeakPolarHBondContact OG-CG 3.37Å; S681-Q684 PolarHBondContact OG-N 3.13Å; S681-T685 PolarHBondContact O-N 3.39Å; S681-T685 PolarHBondContact O-OG1 3.05Å |
| 682 | L | 88.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 177.7 | 179.9 | 141.8 | 0 | 0 | 0 | 112.4 | Q684 T685 R686 F717 L720 | L682-Q684 PolarHBondContact O-N 3.33Å; L682-T685 WeakPolarHBondContact O-CB 3.46Å; L682-T685 PolarHBondContact O-N 3.09Å; L682-R686 PolarHBondContact O-N 3.37Å; L682-F717 HydrophobicContact CB-CD1 4.18Å; L682-F717 HydrophobicContact CB-CG 4.43Å; L682-L720 HydrophobicContact CD1-CD1 3.67Å |
| 683 | D | 89.2 | Confident | 87.8 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | -179.5 | -63.2 | -37 | 0 | 0 | 0 | 111.8 | S681 T685 R686 E687 | S681-D683 PolarHBondContact O-N 2.84Å; D683-T685 VanDerWaalsContact C-N 3.35Å; D683-R686 PolarHBondContact O-N 2.96Å; D683-E687 WeakPolarHBondContact O-CB 3.39Å; D683-E687 PolarHBondContact O-N 3.49Å |
| 684 | Q | 89.4 | Confident | 87.8 | Confident | 99 Ų | 99 | 61.7 Ų | 61.7 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 174.8 | -73.1 | 175.4 | 0.5 | 0 | 0 | 111.5 | T679 S681 L682 R686 Q688 | T679-Q684 HydrophobicContact CG2-CB 4.15Å; S681-Q684 PolarHBondContact O-N 2.94Å; S681-Q684 VanDerWaalsContact OG-CG 3.29Å; S681-Q684 WeakPolarHBondContact OG-CG 3.37Å; S681-Q684 PolarHBondContact OG-N 3.13Å; L682-Q684 PolarHBondContact O-N 3.33Å; Q684-R686 VanDerWaalsContact C-N 3.31Å; Q684-R686 PolarHBondContact O-N 3.49Å; Q684-Q688 WeakPolarHBondContact O-CB 3.39Å; Q684-Q688 PolarHBondContact O-N 3.04Å |
| 685 | T | 88.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 176.4 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | M677 T679 S681 L682 D683 L689 T714 F717 A718 | M677-T685 HydrophobicContact CE-CG2 4.15Å; T679-T685 PolarHBondContact OG1-OG1 3.46Å; S681-T685 PolarHBondContact O-N 3.39Å; S681-T685 PolarHBondContact O-OG1 3.05Å; L682-T685 WeakPolarHBondContact O-CB 3.46Å; L682-T685 PolarHBondContact O-N 3.09Å; D683-T685 VanDerWaalsContact C-N 3.35Å; T685-L689 HydrophobicContact CG2-CD1 4.11Å; T685-L689 WeakPolarHBondContact O-CB 3.5Å; T685-L689 VanDerWaalsContact O-CG 3.29Å; T685-L689 WeakPolarHBondContact O-CG 3.21Å; T685-L689 PolarHBondContact O-N 3.41Å; T685-T714 HydrophobicContact CG2-CG2 3.85Å; T685-F717 HydrophobicContact CG2-CB 4.3Å; T685-A718 HydrophobicContact CG2-CB 4.27Å |
| 686 | R | 89.2 | Confident | 87.1 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -48.2 | -178.6 | -175.4 | 179.2 | 179.3 | 155.9 | 0.6 | 112.2 | L682 D683 Q684 Q688 L689 V690 E722 | L682-R686 PolarHBondContact O-N 3.37Å; D683-R686 PolarHBondContact O-N 2.96Å; Q684-R686 VanDerWaalsContact C-N 3.31Å; Q684-R686 PolarHBondContact O-N 3.49Å; R686-Q688 VanDerWaalsContact C-N 3.33Å; R686-Q688 PolarHBondContact O-N 3.32Å; R686-L689 PolarHBondContact O-N 3.4Å; R686-V690 WeakPolarHBondContact O-CG2 3.34Å; R686-V690 PolarHBondContact O-N 2.85Å; R686-E722 IonicContact NH1-OE2 2.86Å |
| 687 | E | 89.8 | Confident | 86.5 | Confident | 126 Ų | 126 | 60.6 Ų | 60.6 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.6 | -45.6 | 178.6 | -172.8 | 179.1 | -177.1 | 0 | 0 | 110.9 | D683 L689 V690 N691 | D683-E687 WeakPolarHBondContact O-CB 3.39Å; D683-E687 PolarHBondContact O-N 3.49Å; E687-L689 PolarHBondContact O-N 2.91Å; E687-V690 PolarHBondContact O-N 3.21Å; E687-N691 WeakPolarHBondContact O-CB 3.34Å; E687-N691 PolarHBondContact O-N 3.43Å; E687-N691 PolarHBondContact O-ND2 2.91Å; E687-N691 PolarHBondContact O-OD1 3.32Å |
| 688 | Q | 88 | Confident | 85.8 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 177.9 | -167.2 | 175.8 | 0 | 0 | 0 | 112.2 | T676 Q684 R686 N691 L692 | T676-Q688 PolarHBondContact O-NE2 3.25Å; Q684-Q688 WeakPolarHBondContact O-CB 3.39Å; Q684-Q688 PolarHBondContact O-N 3.04Å; R686-Q688 VanDerWaalsContact C-N 3.33Å; R686-Q688 PolarHBondContact O-N 3.32Å; Q688-N691 PolarHBondContact O-N 3.19Å; Q688-L692 HydrophobicContact CG-CD1 4.48Å; Q688-L692 WeakPolarHBondContact O-CB 3.26Å; Q688-L692 VanDerWaalsContact O-CG 3.28Å; Q688-L692 WeakPolarHBondContact O-CG 3.5Å; Q688-L692 PolarHBondContact O-N 3.14Å |
| 689 | L | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 175.4 | -75.8 | 172.9 | 0 | 0 | 0 | 112.4 | M677 T685 R686 E687 L692 I693 C723 Q726 F727 V730 | M677-L689 HydrophobicContact CE-CD1 4.49Å; M677-L689 HydrophobicContact CE-CD2 3.64Å; M677-L689 HydrophobicContact CE-CG 3.71Å; M677-L689 HydrophobicContact SD-CD2 3.86Å; T685-L689 HydrophobicContact CG2-CD1 4.11Å; T685-L689 WeakPolarHBondContact O-CB 3.5Å; T685-L689 VanDerWaalsContact O-CG 3.29Å; T685-L689 WeakPolarHBondContact O-CG 3.21Å; T685-L689 PolarHBondContact O-N 3.41Å; R686-L689 PolarHBondContact O-N 3.4Å; E687-L689 PolarHBondContact O-N 2.91Å; L689-L692 PolarHBondContact O-N 3.48Å; L689-I693 WeakPolarHBondContact O-CB 3.49Å; L689-I693 VanDerWaalsContact O-CG1 3.22Å; L689-I693 WeakPolarHBondContact O-CG1 3.39Å; L689-I693 PolarHBondContact O-N 3.22Å; L689-C723 HydrophobicContact CD1-CB 3.98Å; L689-Q726 HydrophobicContact CB-CB 4.31Å; L689-Q726 HydrophobicContact CD1-CB 4.32Å; L689-F727 HydrophobicContact CD1-CB 4.07Å; L689-F727 HydrophobicContact CD2-CB 4.35Å; L689-F727 HydrophobicContact CD2-CD2 4.4Å; L689-V730 HydrophobicContact CD2-CB 4.39Å; L689-V730 HydrophobicContact CD2-CG2 4.1Å |
| 690 | V | 88.3 | Confident | 83.9 | Confident | 43 Ų | 43 | 70.6 Ų | 70.6 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | R686 E687 L692 I693 E694 | R686-V690 WeakPolarHBondContact O-CG2 3.34Å; R686-V690 PolarHBondContact O-N 2.85Å; E687-V690 PolarHBondContact O-N 3.21Å; V690-L692 VanDerWaalsContact C-N 3.32Å; V690-L692 PolarHBondContact O-N 3.44Å; V690-I693 WeakPolarHBondContact O-CB 3.49Å; V690-I693 PolarHBondContact O-N 2.98Å; V690-I693 VanDerWaalsContact O-N 3.14Å; V690-E694 WeakPolarHBondContact O-CG 3.15Å; V690-E694 PolarHBondContact O-N 2.89Å |
| 691 | N | 87.8 | Confident | 82.9 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 35% | 0.348 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.7 | -66.9 | -17 | 0 | 0 | 0 | 111.6 | E687 Q688 I693 E694 D695 | E687-N691 WeakPolarHBondContact O-CB 3.34Å; E687-N691 PolarHBondContact O-N 3.43Å; E687-N691 PolarHBondContact O-ND2 2.91Å; E687-N691 PolarHBondContact O-OD1 3.32Å; Q688-N691 PolarHBondContact O-N 3.19Å; N691-I693 VanDerWaalsContact C-N 3.35Å; N691-I693 PolarHBondContact O-N 3.5Å; N691-E694 PolarHBondContact O-N 3.22Å; N691-D695 VanDerWaalsContact O-CB 3.3Å; N691-D695 WeakPolarHBondContact O-CB 3.4Å; N691-D695 PolarHBondContact O-N 3.01Å |
| 692 | L | 85.3 | Confident | 81.9 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.6 | -74.2 | 173.4 | 0 | 0 | 0 | 112.3 | L675 M677 Q688 L689 V690 D695 F696 V730 | L675-L692 HydrophobicContact CD1-CD2 4.3Å; L675-L692 HydrophobicContact CD2-CD2 4.01Å; M677-L692 HydrophobicContact CG-CD1 4.35Å; M677-L692 HydrophobicContact SD-CD1 4.04Å; Q688-L692 HydrophobicContact CG-CD1 4.48Å; Q688-L692 WeakPolarHBondContact O-CB 3.26Å; Q688-L692 VanDerWaalsContact O-CG 3.28Å; Q688-L692 WeakPolarHBondContact O-CG 3.5Å; Q688-L692 PolarHBondContact O-N 3.14Å; L689-L692 PolarHBondContact O-N 3.48Å; V690-L692 VanDerWaalsContact C-N 3.32Å; V690-L692 PolarHBondContact O-N 3.44Å; L692-D695 WeakPolarHBondContact O-CB 3.38Å; L692-D695 PolarHBondContact O-N 2.84Å; L692-F696 WeakPolarHBondContact O-CD2 3.36Å; L692-F696 PolarHBondContact O-N 3.44Å; L692-V730 HydrophobicContact CB-CG2 4.14Å; L692-V730 HydrophobicContact CD1-CG1 4.17Å |
| 693 | I | 84.9 | Confident | 81 | Confident | 37 Ų | 37 | 76.8 Ų | 76.8 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 176.9 | -72.8 | 168.7 | 0 | 0 | 0 | 110.5 | L689 V690 N691 D695 F696 G697 I700 Q726 V730 | L689-I693 WeakPolarHBondContact O-CB 3.49Å; L689-I693 VanDerWaalsContact O-CG1 3.22Å; L689-I693 WeakPolarHBondContact O-CG1 3.39Å; L689-I693 PolarHBondContact O-N 3.22Å; V690-I693 WeakPolarHBondContact O-CB 3.49Å; V690-I693 PolarHBondContact O-N 2.98Å; V690-I693 VanDerWaalsContact O-N 3.14Å; N691-I693 VanDerWaalsContact C-N 3.35Å; N691-I693 PolarHBondContact O-N 3.5Å; I693-D695 VanDerWaalsContact C-N 3.31Å; I693-D695 PolarHBondContact O-N 2.88Å; I693-F696 PolarHBondContact O-N 2.95Å; I693-G697 PolarHBondContact O-N 3.49Å; I693-I700 HydrophobicContact CG2-CD1 3.65Å; I693-Q726 HydrophobicContact CD1-CB 3.61Å; I693-Q726 HydrophobicContact CD1-CG 3.81Å; I693-V730 HydrophobicContact CD1-CG2 4.31Å; I693-V730 HydrophobicContact CG1-CG2 3.65Å |
| 694 | E | 84.9 | Confident | 80.3 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 175.2 | -70.7 | -176.9 | 179.1 | 0 | 0 | 111.6 | V690 N691 G697 | V690-E694 WeakPolarHBondContact O-CG 3.15Å; V690-E694 PolarHBondContact O-N 2.89Å; N691-E694 PolarHBondContact O-N 3.22Å; E694-G697 PolarHBondContact O-N 3.07Å |
| 695 | D | 81.9 | Confident | 79.9 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 175.5 | -88.1 | -12.1 | 0 | 0 | 0 | 113.3 | N691 L692 I693 F1079 M1083 | N691-D695 VanDerWaalsContact O-CB 3.3Å; N691-D695 WeakPolarHBondContact O-CB 3.4Å; N691-D695 PolarHBondContact O-N 3.01Å; L692-D695 WeakPolarHBondContact O-CB 3.38Å; L692-D695 PolarHBondContact O-N 2.84Å; I693-D695 VanDerWaalsContact C-N 3.31Å; I693-D695 PolarHBondContact O-N 2.88Å; D695-F1079 WeakPolarHBondContact O-CZ 3.4Å; D695-M1083 HydrophobicContact CB-CE 3.59Å |
| 696 | F | 80.1 | Confident | 79.9 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 4% | 0.044 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.2 | -33.2 | 174.4 | -81.6 | -67.8 | 0 | 0 | 0 | 112.4 | L675 L692 I693 D698 R699 I700 N704 F706 V730 | L675-F696 HydrophobicContact CD1-CE2 4.04Å; L675-F696 HydrophobicContact CD1-CZ 3.71Å; L692-F696 WeakPolarHBondContact O-CD2 3.36Å; L692-F696 PolarHBondContact O-N 3.44Å; I693-F696 PolarHBondContact O-N 2.95Å; F696-D698 PolarHBondContact O-N 2.84Å; F696-R699 WeakPolarHBondContact O-CB 3.17Å; F696-R699 PolarHBondContact O-N 3.37Å; F696-I700 HydrophobicContact CB-CG1 3.76Å; F696-N704 HydrophobicContact CE1-CB 4.36Å; F696-F706 AromaticContact CE1-CD2 3.57Å; F696-F706 HydrophobicContact CE1-CD2 3.57Å; F696-F706 AromaticContact CE1-CE2 3.86Å; F696-F706 HydrophobicContact CE1-CE2 3.86Å; F696-F706 HydrophobicContact CE1-CG 4.27Å; F696-F706 HydrophobicContact CZ-CB 4.49Å; F696-F706 HydrophobicContact CZ-CD2 4.09Å; F696-F706 HydrophobicContact CZ-CG 4.33Å; F696-V730 HydrophobicContact CE2-CG1 4.16Å |
| 697 | G | 76.2 | Confident | 79.9 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | 52.5 | -128.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I693 E694 R699 I700 | I693-G697 PolarHBondContact O-N 3.49Å; E694-G697 PolarHBondContact O-N 3.07Å; G697-R699 PolarHBondContact O-N 3.32Å; G697-I700 VanDerWaalsContact O-CD1 3.23Å; G697-I700 WeakPolarHBondContact O-CD1 3.42Å; G697-I700 VanDerWaalsContact O-CG1 3.24Å; G697-I700 WeakPolarHBondContact O-CG1 3.38Å; G697-I700 PolarHBondContact O-N 3.45Å |
| 698 | D | 72.4 | Confident | 80.1 | Confident | 170 Ų | 170 | 59.8 Ų | 59.8 | 91% | 0.909 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -66 | -8.4 | 179.1 | -64.6 | -30.8 | 0 | 0 | 0 | 114.4 | F696 I700 | F696-D698 PolarHBondContact O-N 2.84Å; D698-I700 VanDerWaalsContact C-N 3.32Å |
| 699 | R | 67.1 | Low | 80.3 | Confident | 70 Ų | 70 | 57 Ų | 57 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -89.9 | 7 | -178.5 | -56.3 | -176.8 | -178.9 | -177.8 | 1.9 | 113.7 | F696 G697 R701 M702 N704 | F696-R699 WeakPolarHBondContact O-CB 3.17Å; F696-R699 PolarHBondContact O-N 3.37Å; G697-R699 PolarHBondContact O-N 3.32Å; R699-R701 PolarHBondContact O-N 2.93Å; R699-M702 HydrophobicContact CB-SD 4.45Å; R699-M702 WeakPolarHBondContact O-CB 3.45Å; R699-M702 PolarHBondContact O-N 3.36Å; R699-M702 VanDerWaalsContact O-N 3.11Å; R699-N704 PolarHBondContact O-ND2 3.39Å |
| 700 | I | 66.5 | Low | 80.5 | Confident | 54 Ų | 54 | 57 Ų | 57 | 28% | 0.277 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 134.1 | 173.4 | -66.9 | 161.2 | 0 | 0 | 0 | 109.4 | I693 F696 G697 D698 M702 D729 S733 | I693-I700 HydrophobicContact CG2-CD1 3.65Å; F696-I700 HydrophobicContact CB-CG1 3.76Å; G697-I700 VanDerWaalsContact O-CD1 3.23Å; G697-I700 WeakPolarHBondContact O-CD1 3.42Å; G697-I700 VanDerWaalsContact O-CG1 3.24Å; G697-I700 WeakPolarHBondContact O-CG1 3.38Å; G697-I700 PolarHBondContact O-N 3.45Å; D698-I700 VanDerWaalsContact C-N 3.32Å; I700-M702 PolarHBondContact O-N 3.24Å; I700-D729 HydrophobicContact CG2-CB 4.03Å; I700-S733 WeakPolarHBondContact CA-OG 3.26Å |
| 701 | R | 65.9 | Low | 80.5 | Confident | 167 Ų | 167 | 56.4 Ų | 56.4 | 63% | 0.63 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 17.1 | -175.1 | -60.6 | 171 | 179.9 | -179.1 | 4.6 | 114.8 | R699 D729 S733 | R699-R701 PolarHBondContact O-N 2.93Å; R701-D729 IonicContact CZ-OD1 3.73Å; R701-D729 IonicContact NE-OD1 2.75Å; R701-D729 PolarHBondContact NE-OD1 3.36Å; R701-D729 IonicContact NH2-OD1 3.74Å; R701-D729 PolarHBondContact NH2-OD1 3.17Å; R701-D729 IonicContact NH2-OD2 2.81Å; R701-S733 PolarHBondContact N-OG 3.19Å |
| 702 | M | 68.1 | Low | 80.3 | Confident | 105 Ų | 105 | 53.6 Ų | 53.6 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -94.4 | 146.9 | 164.9 | -57.5 | -167.9 | 79.4 | 0 | 0 | 110 | R699 I700 N704 S733 | R699-M702 HydrophobicContact CB-SD 4.45Å; R699-M702 WeakPolarHBondContact O-CB 3.45Å; R699-M702 PolarHBondContact O-N 3.36Å; R699-M702 VanDerWaalsContact O-N 3.11Å; I700-M702 PolarHBondContact O-N 3.24Å; M702-N704 PolarHBondContact O-N 2.92Å; M702-N704 PolarHBondContact O-ND2 2.84Å; M702-N704 VanDerWaalsContact O-ND2 3.16Å; M702-S733 CarbonylContact O-C 3.53Å; M702-S733 WeakPolarHBondContact O-CA 3.37Å |
| 703 | E | 68.6 | Low | 80.4 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | trans | -69.3 | 91.2 | 173.7 | -68.9 | 174.7 | -170.8 | 0 | 0 | 109.7 | ||||
| 704 | N | 73.8 | Confident | 80.7 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 151.4 | 178.1 | -58.5 | -59 | 0 | 0 | 0 | 110.9 | F696 R699 M702 F706 S733 K735 | F696-N704 HydrophobicContact CE1-CB 4.36Å; R699-N704 PolarHBondContact O-ND2 3.39Å; M702-N704 PolarHBondContact O-N 2.92Å; M702-N704 PolarHBondContact O-ND2 2.84Å; M702-N704 VanDerWaalsContact O-ND2 3.16Å; N704-F706 HydrophobicContact CB-CD2 3.58Å; N704-F706 HydrophobicContact CB-CE2 4.05Å; N704-F706 PolarHBondContact O-N 3.47Å; N704-S733 WeakPolarHBondContact CB-O 3.35Å; N704-S733 PolarHBondContact N-O 2.91Å; N704-S733 PolarHBondContact ND2-O 2.97Å; N704-K735 WeakPolarHBondContact O-CB 3.47Å; N704-K735 PolarHBondContact O-N 2.75Å |
| 705 | D | 81.7 | Confident | 81 | Confident | 73 Ų | 73 | 49.1 Ų | 49.1 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 53.2 | 177.9 | -66.7 | -50.3 | 0 | 0 | 0 | 112 | I672 S673 K735 | I672-D705 WeakPolarHBondContact CA-O 3.35Å; I672-D705 HydrophobicContact CG1-CB 4.48Å; S673-D705 PolarHBondContact N-O 3.39Å; D705-K735 IonicContact OD1-NZ 3.78Å; D705-K735 PolarHBondContact OD1-NZ 3.1Å; D705-K735 VanDerWaalsContact OD1-NZ 3.12Å |
| 706 | F | 87.7 | Confident | 81.3 | Confident | 12 Ų | 12 | 51 Ų | 51 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 150 | 170.8 | -64.2 | -84.5 | 0 | 0 | 0 | 110.5 | S673 L675 F696 N704 K735 M1083 | S673-F706 WeakPolarHBondContact O-CA 3.38Å; L675-F706 HydrophobicContact CD1-CB 3.96Å; L675-F706 HydrophobicContact CD1-CD1 4.12Å; L675-F706 HydrophobicContact CD1-CG 4.18Å; L675-F706 HydrophobicContact CD2-CD1 4.31Å; L675-F706 HydrophobicContact CG-CB 4.42Å; L675-F706 HydrophobicContact CG-CD1 4.13Å; F696-F706 AromaticContact CE1-CD2 3.57Å; F696-F706 HydrophobicContact CE1-CD2 3.57Å; F696-F706 AromaticContact CE1-CE2 3.86Å; F696-F706 HydrophobicContact CE1-CE2 3.86Å; F696-F706 HydrophobicContact CE1-CG 4.27Å; F696-F706 HydrophobicContact CZ-CB 4.49Å; F696-F706 HydrophobicContact CZ-CD2 4.09Å; F696-F706 HydrophobicContact CZ-CG 4.33Å; N704-F706 HydrophobicContact CB-CD2 3.58Å; N704-F706 HydrophobicContact CB-CE2 4.05Å; N704-F706 PolarHBondContact O-N 3.47Å; F706-K735 PolarHBondContact O-N 3.41Å; F706-M1083 HydrophobicContact CE1-SD 4.29Å; F706-M1083 HydrophobicContact CZ-SD 4.22Å |
| 707 | A | 90.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L668 I672 S673 L674 L675 S736 | L668-A707 HydrophobicContact CD2-CB 3.43Å; L668-A707 VanDerWaalsContact CD2-CB 3.43Å; I672-A707 HydrophobicContact CG2-CB 3.69Å; S673-A707 PolarHBondContact O-N 3.41Å; L674-A707 HydrophobicContact CD2-CB 3.87Å; L675-A707 PolarHBondContact N-O 3.2Å; A707-S736 VanDerWaalsContact CA-O 3.26Å; A707-S736 WeakPolarHBondContact CA-O 3.3Å; A707-S736 VanDerWaalsContact CB-OG 3.24Å; A707-S736 WeakPolarHBondContact CB-OG 3.31Å |
| 708 | L | 92.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.8 | 177.9 | -178.2 | 67.6 | 0 | 0 | 0 | 110.1 | L675 M677 V710 F727 V730 A731 C734 S736 V737 I738 | L675-L708 HydrophobicContact CB-CD1 4.16Å; L675-L708 CarbonylContact O-C 3.58Å; L675-L708 WeakPolarHBondContact O-CA 3.4Å; M677-L708 HydrophobicContact CG-CD1 4.19Å; M677-L708 HydrophobicContact SD-CD1 3.98Å; L708-V710 HydrophobicContact CD1-CG2 4.15Å; L708-V710 HydrophobicContact CD2-CG2 3.81Å; L708-V710 HydrophobicContact CG-CG2 3.61Å; L708-F727 HydrophobicContact CD2-CE2 4.01Å; L708-V730 HydrophobicContact CD1-CG1 4.25Å; L708-V730 HydrophobicContact CD2-CG1 4.27Å; L708-A731 HydrophobicContact CD2-CB 4Å; L708-C734 HydrophobicContact CB-CB 4.23Å; L708-S736 PolarHBondContact N-O 2.7Å; L708-V737 HydrophobicContact CB-CG1 4.29Å; L708-V737 HydrophobicContact CB-CG2 4.26Å; L708-V737 HydrophobicContact CD2-CG1 4.26Å; L708-V737 CarbonylContact O-C 3.54Å; L708-V737 WeakPolarHBondContact O-CA 3.21Å; L708-I738 PolarHBondContact O-N 3.14Å |
| 709 | I | 93.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.4 | 175.5 | -59.1 | 164.6 | 0 | 0 | 0 | 108 | Q655 I659 L674 L675 T676 M677 I738 | Q655-I709 HydrophobicContact CG-CG2 3.79Å; I659-I709 HydrophobicContact CD1-CD1 3.79Å; I659-I709 HydrophobicContact CG1-CD1 3.78Å; L674-I709 HydrophobicContact CB-CD1 4.06Å; L674-I709 HydrophobicContact CD1-CD1 4.03Å; L674-I709 HydrophobicContact CD2-CD1 4.22Å; L674-I709 HydrophobicContact CG-CD1 4.32Å; L675-I709 PolarHBondContact O-N 3.24Å; T676-I709 WeakPolarHBondContact CA-O 3.39Å; T676-I709 HydrophobicContact CG2-CG2 4.46Å; M677-I709 PolarHBondContact N-O 3.36Å; I709-I738 VanDerWaalsContact CA-O 3.32Å; I709-I738 WeakPolarHBondContact CA-O 3.36Å |
| 710 | V | 92.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.4 | -175.2 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | L708 T714 L715 F727 I738 C739 C740 | L708-V710 HydrophobicContact CD1-CG2 4.15Å; L708-V710 HydrophobicContact CD2-CG2 3.81Å; L708-V710 HydrophobicContact CG-CG2 3.61Å; V710-T714 HydrophobicContact CG1-CG2 4.06Å; V710-L715 HydrophobicContact CG1-CB 4.17Å; V710-F727 HydrophobicContact CG2-CE2 4.11Å; V710-I738 PolarHBondContact N-O 3.1Å; V710-C739 CarbonylContact O-C 3.55Å; V710-C739 VanDerWaalsContact O-CA 3.31Å; V710-C739 WeakPolarHBondContact O-CA 3.34Å; V710-C740 PolarHBondContact O-N 2.85Å |
| 711 | D | 88.7 | Confident | 84.5 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 159.7 | 171.9 | 72.3 | -0.2 | 0 | 0 | 0 | 112.6 | M677 Q713 T714 L715 C740 | M677-D711 PolarHBondContact O-N 2.9Å; D711-Q713 PolarHBondContact O-N 3.17Å; D711-T714 PolarHBondContact O-N 3.41Å; D711-T714 WeakPolarHBondContact OD1-CA 3.08Å; D711-T714 WeakPolarHBondContact OD1-CB 3.33Å; D711-T714 PolarHBondContact OD1-N 2.87Å; D711-T714 PolarHBondContact OD1-OG1 3.13Å; D711-L715 VanDerWaalsContact O-CB 3.32Å; D711-L715 WeakPolarHBondContact O-CB 3.33Å; D711-L715 PolarHBondContact O-N 3.47Å; D711-C740 CarbonylContact C-O 3.55Å |
| 712 | G | 84.6 | Confident | 85.3 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -28.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | E716 C740 Q746 | G712-E716 PolarHBondContact O-N 2.83Å; G712-E716 VanDerWaalsContact O-N 3.1Å; G712-C740 PolarHBondContact N-O 3.12Å; G712-Q746 PolarHBondContact O-NE2 2.87Å |
| 713 | Q | 87.1 | Confident | 86.2 | Confident | 99 Ų | 99 | 40.4 Ų | 40.4 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73.8 | -47.1 | 177.6 | -174 | 174.3 | 12.5 | 0 | 0 | 111.3 | D711 L715 E716 F717 | D711-Q713 PolarHBondContact O-N 3.17Å; Q713-L715 VanDerWaalsContact C-N 3.26Å; Q713-L715 PolarHBondContact O-N 3.23Å; Q713-E716 WeakPolarHBondContact O-CB 3.5Å; Q713-E716 PolarHBondContact O-N 2.83Å; Q713-F717 HydrophobicContact CG-CE2 3.96Å; Q713-F717 VanDerWaalsContact O-CD2 3.3Å; Q713-F717 WeakPolarHBondContact O-CD2 3.31Å; Q713-F717 PolarHBondContact O-N 3.2Å |
| 714 | T | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 173.3 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | M677 T679 T685 V710 D711 E716 F717 A718 | M677-T714 HydrophobicContact CB-CG2 4.11Å; M677-T714 HydrophobicContact CE-CG2 3.97Å; M677-T714 PolarHBondContact O-OG1 3.15Å; T679-T714 HydrophobicContact CG2-CG2 4.46Å; T679-T714 PolarHBondContact N-OG1 3.03Å; T679-T714 PolarHBondContact O-OG1 3.18Å; T679-T714 WeakPolarHBondContact OG1-CG2 3.34Å; T679-T714 PolarHBondContact OG1-OG1 2.8Å; T685-T714 HydrophobicContact CG2-CG2 3.85Å; V710-T714 HydrophobicContact CG1-CG2 4.06Å; D711-T714 PolarHBondContact O-N 3.41Å; D711-T714 WeakPolarHBondContact OD1-CA 3.08Å; D711-T714 WeakPolarHBondContact OD1-CB 3.33Å; D711-T714 PolarHBondContact OD1-N 2.87Å; D711-T714 PolarHBondContact OD1-OG1 3.13Å; T714-E716 VanDerWaalsContact C-N 3.28Å; T714-E716 PolarHBondContact O-N 2.99Å; T714-F717 PolarHBondContact O-N 3.19Å; T714-A718 WeakPolarHBondContact O-CB 3.49Å; T714-A718 PolarHBondContact O-N 3.16Å |
| 715 | L | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 177.5 | -172.7 | 64.4 | 0 | 0 | 0 | 111.9 | V710 D711 Q713 F717 A718 L719 F727 C739 V742 Q746 L750 | V710-L715 HydrophobicContact CG1-CB 4.17Å; D711-L715 VanDerWaalsContact O-CB 3.32Å; D711-L715 WeakPolarHBondContact O-CB 3.33Å; D711-L715 PolarHBondContact O-N 3.47Å; Q713-L715 VanDerWaalsContact C-N 3.26Å; Q713-L715 PolarHBondContact O-N 3.23Å; L715-F717 VanDerWaalsContact C-N 3.34Å; L715-F717 PolarHBondContact O-N 3.01Å; L715-A718 PolarHBondContact O-N 3.17Å; L715-L719 HydrophobicContact CD1-CD1 4.23Å; L715-L719 HydrophobicContact CD1-CD2 4.44Å; L715-L719 HydrophobicContact CD1-CG 4.02Å; L715-L719 HydrophobicContact CD2-CD1 4.4Å; L715-L719 HydrophobicContact CG-CD1 3.86Å; L715-L719 HydrophobicContact CG-CG 4.1Å; L715-L719 WeakPolarHBondContact O-CB 3.35Å; L715-L719 WeakPolarHBondContact O-CG 3.28Å; L715-L719 PolarHBondContact O-N 3.23Å; L715-F727 HydrophobicContact CD1-CE1 4.04Å; L715-F727 HydrophobicContact CD1-CE2 4.39Å; L715-F727 HydrophobicContact CD1-CZ 3.73Å; L715-C739 HydrophobicContact CD2-CB 4.42Å; L715-V742 HydrophobicContact CD2-CG1 3.98Å; L715-V742 HydrophobicContact CD2-CG2 4.04Å; L715-Q746 HydrophobicContact CD2-CB 4.32Å; L715-L750 HydrophobicContact CD1-CD1 4.42Å |
| 716 | E | 88.6 | Confident | 88.2 | Confident | 113 Ų | 113 | 44.1 Ų | 44.1 | 53% | 0.528 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58 | -47.6 | 173.9 | -170.3 | 177.3 | 177.8 | 0 | 0 | 111.2 | G712 Q713 T714 | G712-E716 PolarHBondContact O-N 2.83Å; G712-E716 VanDerWaalsContact O-N 3.1Å; Q713-E716 WeakPolarHBondContact O-CB 3.5Å; Q713-E716 PolarHBondContact O-N 2.83Å; T714-E716 VanDerWaalsContact C-N 3.28Å; T714-E716 PolarHBondContact O-N 2.99Å |
| 717 | F | 90.5 | Very high | 88.3 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 18% | 0.18 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.1 | -56.8 | -51.7 | 0 | 0 | 0 | 112.5 | L682 T685 Q713 T714 L715 L719 L720 | L682-F717 HydrophobicContact CB-CD1 4.18Å; L682-F717 HydrophobicContact CB-CG 4.43Å; T685-F717 HydrophobicContact CG2-CB 4.3Å; Q713-F717 HydrophobicContact CG-CE2 3.96Å; Q713-F717 VanDerWaalsContact O-CD2 3.3Å; Q713-F717 WeakPolarHBondContact O-CD2 3.31Å; Q713-F717 PolarHBondContact O-N 3.2Å; T714-F717 PolarHBondContact O-N 3.19Å; L715-F717 VanDerWaalsContact C-N 3.34Å; L715-F717 PolarHBondContact O-N 3.01Å; F717-L719 VanDerWaalsContact C-N 3.29Å; F717-L719 PolarHBondContact O-N 3.06Å; F717-L720 HydrophobicContact CD1-CD1 4.41Å; F717-L720 WeakPolarHBondContact O-CB 3.42Å; F717-L720 PolarHBondContact O-N 3.16Å |
| 718 | A | 89.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -27.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T685 T714 L715 C723 R724 F727 | T685-A718 HydrophobicContact CG2-CB 4.27Å; T714-A718 WeakPolarHBondContact O-CB 3.49Å; T714-A718 PolarHBondContact O-N 3.16Å; L715-A718 PolarHBondContact O-N 3.17Å; A718-C723 CarbonylContact O-C 3.17Å; A718-R724 WeakPolarHBondContact O-CA 3.46Å; A718-R724 PolarHBondContact O-N 2.99Å; A718-F727 HydrophobicContact CB-CB 4.11Å; A718-F727 HydrophobicContact CB-CD1 4.45Å; A718-F727 HydrophobicContact CB-CD2 3.84Å; A718-F727 HydrophobicContact CB-CE2 4.41Å; A718-F727 HydrophobicContact CB-CG 3.85Å |
| 719 | L | 87.8 | Confident | 88 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -11 | 177.2 | -71.6 | 175.6 | 0 | 0 | 0 | 113.6 | L715 F717 Q749 L750 L753 | L715-L719 HydrophobicContact CD1-CD1 4.23Å; L715-L719 HydrophobicContact CD1-CD2 4.44Å; L715-L719 HydrophobicContact CD1-CG 4.02Å; L715-L719 HydrophobicContact CD2-CD1 4.4Å; L715-L719 HydrophobicContact CG-CD1 3.86Å; L715-L719 HydrophobicContact CG-CG 4.1Å; L715-L719 WeakPolarHBondContact O-CB 3.35Å; L715-L719 WeakPolarHBondContact O-CG 3.28Å; L715-L719 PolarHBondContact O-N 3.23Å; F717-L719 VanDerWaalsContact C-N 3.29Å; F717-L719 PolarHBondContact O-N 3.06Å; L719-Q749 HydrophobicContact CD1-CB 4.44Å; L719-Q749 HydrophobicContact CD1-CG 4.28Å; L719-L750 HydrophobicContact CD2-CD1 4.29Å; L719-L753 HydrophobicContact CD2-CD2 3.8Å |
| 720 | L | 87 | Confident | 87.8 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 44% | 0.44 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -66.2 | 152.7 | 172.5 | -67.1 | 170.4 | 0 | 0 | 0 | 110.9 | L682 F717 E722 C723 R724 | L682-L720 HydrophobicContact CD1-CD1 3.67Å; F717-L720 HydrophobicContact CD1-CD1 4.41Å; F717-L720 WeakPolarHBondContact O-CB 3.42Å; F717-L720 PolarHBondContact O-N 3.16Å; L720-E722 PolarHBondContact O-N 3.31Å; L720-C723 PolarHBondContact O-N 2.97Å; L720-R724 WeakPolarHBondContact O-CB 3.4Å; L720-R724 PolarHBondContact O-N 3.47Å; L720-R724 VanDerWaalsContact O-N 3.11Å |
| 721 | C | 76 | Confident | 87.7 | Confident | 118 Ų | 118 | 45.8 Ų | 45.8 | 80% | 0.797 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34.1 | -169.5 | -161.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 722 | E | 81.5 | Confident | 87.7 | Confident | 123 Ų | 123 | 45.5 Ų | 45.5 | 58% | 0.575 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -37.1 | -175.1 | -59.3 | -175.7 | -176.9 | 0 | 0 | 114 | R686 L720 | R686-E722 IonicContact NH1-OE2 2.86Å; L720-E722 PolarHBondContact O-N 3.31Å |
| 723 | C | 87.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -11.1 | -175.9 | -65.5 | 0 | 0 | 0 | 0 | 113 | L689 A718 L720 E725 Q726 F727 | L689-C723 HydrophobicContact CD1-CB 3.98Å; A718-C723 CarbonylContact O-C 3.17Å; L720-C723 PolarHBondContact O-N 2.97Å; C723-E725 PolarHBondContact O-N 2.91Å; C723-Q726 PolarHBondContact O-N 3.4Å; C723-F727 WeakPolarHBondContact O-CB 3.4Å; C723-F727 PolarHBondContact O-N 3.36Å |
| 724 | R | 88.7 | Confident | 87.7 | Confident | 73 Ų | 73 | 40.7 Ų | 40.7 | 28% | 0.275 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.8 | -44.2 | -172.1 | 175.9 | -179.2 | 164.6 | 152.5 | 12.3 | 114.3 | A718 L720 L728 L753 | A718-R724 WeakPolarHBondContact O-CA 3.46Å; A718-R724 PolarHBondContact O-N 2.99Å; L720-R724 WeakPolarHBondContact O-CB 3.4Å; L720-R724 PolarHBondContact O-N 3.47Å; L720-R724 VanDerWaalsContact O-N 3.11Å; R724-L728 WeakPolarHBondContact O-CB 3.45Å; R724-L728 PolarHBondContact O-N 2.9Å; R724-L728 VanDerWaalsContact O-N 3.13Å; R724-L753 HydrophobicContact CG-CD1 3.52Å; R724-L753 HydrophobicContact CG-CD2 4.24Å; R724-L753 VanDerWaalsContact CZ-CD1 3.45Å; R724-L753 VanDerWaalsContact NH2-CD1 3.34Å |
| 725 | E | 87.9 | Confident | 87.4 | Confident | 152 Ų | 152 | 44.2 Ų | 44.2 | 71% | 0.71 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -71.8 | -43 | -179.2 | -66.3 | -165.6 | 158.7 | 0 | 0 | 111.7 | C723 L728 D729 | C723-E725 PolarHBondContact O-N 2.91Å; E725-L728 WeakPolarHBondContact O-CB 3.36Å; E725-L728 PolarHBondContact O-N 3.18Å; E725-D729 PolarHBondContact O-N 2.89Å |
| 726 | Q | 88.7 | Confident | 87.4 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 23% | 0.229 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 177.9 | -67.4 | 179.7 | -31.7 | 0 | 0 | 111.5 | L689 I693 C723 L728 D729 V730 | L689-Q726 HydrophobicContact CB-CB 4.31Å; L689-Q726 HydrophobicContact CD1-CB 4.32Å; I693-Q726 HydrophobicContact CD1-CB 3.61Å; I693-Q726 HydrophobicContact CD1-CG 3.81Å; C723-Q726 PolarHBondContact O-N 3.4Å; Q726-L728 VanDerWaalsContact C-N 3.32Å; Q726-L728 PolarHBondContact O-N 2.98Å; Q726-D729 PolarHBondContact O-N 3.2Å; Q726-V730 WeakPolarHBondContact O-CG2 3.46Å; Q726-V730 PolarHBondContact O-N 3.32Å; Q726-V730 VanDerWaalsContact O-N 3.1Å |
| 727 | F | 91.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 174.9 | 172.2 | -106.2 | 0 | 0 | 0 | 111.8 | L689 L708 V710 L715 A718 C723 D729 V730 A731 L750 L753 | L689-F727 HydrophobicContact CD1-CB 4.07Å; L689-F727 HydrophobicContact CD2-CB 4.35Å; L689-F727 HydrophobicContact CD2-CD2 4.4Å; L708-F727 HydrophobicContact CD2-CE2 4.01Å; V710-F727 HydrophobicContact CG2-CE2 4.11Å; L715-F727 HydrophobicContact CD1-CE1 4.04Å; L715-F727 HydrophobicContact CD1-CE2 4.39Å; L715-F727 HydrophobicContact CD1-CZ 3.73Å; A718-F727 HydrophobicContact CB-CB 4.11Å; A718-F727 HydrophobicContact CB-CD1 4.45Å; A718-F727 HydrophobicContact CB-CD2 3.84Å; A718-F727 HydrophobicContact CB-CE2 4.41Å; A718-F727 HydrophobicContact CB-CG 3.85Å; C723-F727 WeakPolarHBondContact O-CB 3.4Å; C723-F727 PolarHBondContact O-N 3.36Å; F727-D729 PolarHBondContact O-N 3.13Å; F727-V730 PolarHBondContact O-N 3.34Å; F727-A731 HydrophobicContact CZ-CB 4.4Å; F727-A731 VanDerWaalsContact O-CB 3.27Å; F727-A731 WeakPolarHBondContact O-CB 3.39Å; F727-A731 PolarHBondContact O-N 3.36Å; F727-L750 HydrophobicContact CE1-CD1 3.71Å; F727-L750 HydrophobicContact CZ-CD1 4.29Å; F727-L753 HydrophobicContact CD1-CD2 4.29Å; F727-L753 HydrophobicContact CE1-CD2 4.5Å |
| 728 | L | 89.7 | Confident | 87.8 | Confident | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 178.5 | -179.2 | 70.9 | 0 | 0 | 0 | 111.4 | R724 E725 Q726 V730 A731 L732 L753 V754 S757 | R724-L728 WeakPolarHBondContact O-CB 3.45Å; R724-L728 PolarHBondContact O-N 2.9Å; R724-L728 VanDerWaalsContact O-N 3.13Å; E725-L728 WeakPolarHBondContact O-CB 3.36Å; E725-L728 PolarHBondContact O-N 3.18Å; Q726-L728 VanDerWaalsContact C-N 3.32Å; Q726-L728 PolarHBondContact O-N 2.98Å; L728-V730 VanDerWaalsContact C-N 3.35Å; L728-V730 PolarHBondContact O-N 3.2Å; L728-A731 PolarHBondContact O-N 3.48Å; L728-L732 HydrophobicContact CD1-CD1 3.82Å; L728-L732 HydrophobicContact CD1-CD2 4.28Å; L728-L732 HydrophobicContact CD1-CG 3.87Å; L728-L732 HydrophobicContact CD2-CD1 4.25Å; L728-L732 HydrophobicContact CG-CD1 3.7Å; L728-L732 HydrophobicContact CG-CG 4.1Å; L728-L732 WeakPolarHBondContact O-CB 3.19Å; L728-L732 WeakPolarHBondContact O-CG 3.33Å; L728-L732 PolarHBondContact O-N 3.22Å; L728-L753 HydrophobicContact CD1-CG 4.42Å; L728-V754 HydrophobicContact CD1-CG2 4.17Å; L728-S757 WeakPolarHBondContact CD2-OG 3.27Å |
| 729 | D | 87.4 | Confident | 88 | Confident | 32 Ų | 32 | 37 Ų | 37 | 17% | 0.171 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 179.6 | -76.6 | -20.8 | 0 | 0 | 0 | 112.3 | I700 R701 E725 Q726 F727 S733 | I700-D729 HydrophobicContact CG2-CB 4.03Å; R701-D729 IonicContact CZ-OD1 3.73Å; R701-D729 IonicContact NE-OD1 2.75Å; R701-D729 PolarHBondContact NE-OD1 3.36Å; R701-D729 IonicContact NH2-OD1 3.74Å; R701-D729 PolarHBondContact NH2-OD1 3.17Å; R701-D729 IonicContact NH2-OD2 2.81Å; E725-D729 PolarHBondContact O-N 2.89Å; Q726-D729 PolarHBondContact O-N 3.2Å; F727-D729 PolarHBondContact O-N 3.13Å; D729-S733 WeakPolarHBondContact O-CB 3.3Å; D729-S733 PolarHBondContact O-N 3.27Å; D729-S733 PolarHBondContact O-OG 3.26Å |
| 730 | V | 88.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 173.3 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L689 L692 I693 F696 L708 Q726 F727 L728 L732 S733 C734 | L689-V730 HydrophobicContact CD2-CB 4.39Å; L689-V730 HydrophobicContact CD2-CG2 4.1Å; L692-V730 HydrophobicContact CB-CG2 4.14Å; L692-V730 HydrophobicContact CD1-CG1 4.17Å; I693-V730 HydrophobicContact CD1-CG2 4.31Å; I693-V730 HydrophobicContact CG1-CG2 3.65Å; F696-V730 HydrophobicContact CE2-CG1 4.16Å; L708-V730 HydrophobicContact CD1-CG1 4.25Å; L708-V730 HydrophobicContact CD2-CG1 4.27Å; Q726-V730 WeakPolarHBondContact O-CG2 3.46Å; Q726-V730 PolarHBondContact O-N 3.32Å; Q726-V730 VanDerWaalsContact O-N 3.1Å; F727-V730 PolarHBondContact O-N 3.34Å; L728-V730 VanDerWaalsContact C-N 3.35Å; L728-V730 PolarHBondContact O-N 3.2Å; V730-L732 PolarHBondContact O-N 3.15Å; V730-S733 WeakPolarHBondContact O-CB 3.41Å; V730-S733 PolarHBondContact O-N 2.99Å; V730-S733 VanDerWaalsContact O-N 3.15Å; V730-C734 PolarHBondContact O-N 3.38Å; V730-C734 PolarHBondContact O-SG 3.45Å |
| 731 | A | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | W648 L708 F727 L728 S733 C734 V737 | W648-A731 HydrophobicContact CH2-CB 3.5Å; W648-A731 HydrophobicContact CZ2-CB 3.97Å; W648-A731 HydrophobicContact CZ3-CB 4.25Å; L708-A731 HydrophobicContact CD2-CB 4Å; F727-A731 HydrophobicContact CZ-CB 4.4Å; F727-A731 VanDerWaalsContact O-CB 3.27Å; F727-A731 WeakPolarHBondContact O-CB 3.39Å; F727-A731 PolarHBondContact O-N 3.36Å; L728-A731 PolarHBondContact O-N 3.48Å; A731-S733 VanDerWaalsContact C-N 3.3Å; A731-S733 PolarHBondContact O-N 3.49Å; A731-C734 PolarHBondContact O-N 3.1Å; A731-V737 HydrophobicContact CB-CG2 4.31Å |
| 732 | L | 87.7 | Confident | 88.4 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 13% | 0.131 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74 | -19.4 | 176.2 | -65.3 | 178.1 | 0 | 0 | 0 | 113.6 | Y364 W648 L728 V730 C734 I758 | Y364-L732 HydrophobicContact CE1-CD2 3.91Å; W648-L732 HydrophobicContact CZ2-CD2 4.12Å; L728-L732 HydrophobicContact CD1-CD1 3.82Å; L728-L732 HydrophobicContact CD1-CD2 4.28Å; L728-L732 HydrophobicContact CD1-CG 3.87Å; L728-L732 HydrophobicContact CD2-CD1 4.25Å; L728-L732 HydrophobicContact CG-CD1 3.7Å; L728-L732 HydrophobicContact CG-CG 4.1Å; L728-L732 WeakPolarHBondContact O-CB 3.19Å; L728-L732 WeakPolarHBondContact O-CG 3.33Å; L728-L732 PolarHBondContact O-N 3.22Å; V730-L732 PolarHBondContact O-N 3.15Å; L732-C734 VanDerWaalsContact C-N 3.3Å; L732-I758 HydrophobicContact CD1-CD1 3.65Å; L732-I758 HydrophobicContact CD1-CG1 4.19Å; L732-I758 HydrophobicContact CD2-CD1 3.53Å; L732-I758 HydrophobicContact CG-CD1 4.24Å |
| 733 | S | 86.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -79.7 | -16.5 | 174.1 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | I700 R701 M702 N704 D729 V730 A731 | I700-S733 WeakPolarHBondContact CA-OG 3.26Å; R701-S733 PolarHBondContact N-OG 3.19Å; M702-S733 CarbonylContact O-C 3.53Å; M702-S733 WeakPolarHBondContact O-CA 3.37Å; N704-S733 WeakPolarHBondContact CB-O 3.35Å; N704-S733 PolarHBondContact N-O 2.91Å; N704-S733 PolarHBondContact ND2-O 2.97Å; D729-S733 WeakPolarHBondContact O-CB 3.3Å; D729-S733 PolarHBondContact O-N 3.27Å; D729-S733 PolarHBondContact O-OG 3.26Å; V730-S733 WeakPolarHBondContact O-CB 3.41Å; V730-S733 PolarHBondContact O-N 2.99Å; V730-S733 VanDerWaalsContact O-N 3.15Å; A731-S733 VanDerWaalsContact C-N 3.3Å; A731-S733 PolarHBondContact O-N 3.49Å |
| 734 | C | 86.6 | Confident | 88 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 145.6 | 178.7 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | L708 V730 A731 L732 V737 | L708-C734 HydrophobicContact CB-CB 4.23Å; V730-C734 PolarHBondContact O-N 3.38Å; V730-C734 PolarHBondContact O-SG 3.45Å; A731-C734 PolarHBondContact O-N 3.1Å; L732-C734 VanDerWaalsContact C-N 3.3Å; C734-V737 HydrophobicContact CB-CG2 4.34Å |
| 735 | K | 84.6 | Confident | 87.8 | Confident | 74 Ų | 74 | 37.1 Ų | 37.1 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -37.3 | 178.2 | -169.2 | 178.2 | -164.3 | 171.1 | 0 | 112.2 | M641 I672 N704 D705 F706 | M641-K735 HydrophobicContact CE-CD 4.1Å; M641-K735 HydrophobicContact CE-CG 4.45Å; I672-K735 HydrophobicContact CD1-CD 4.23Å; N704-K735 WeakPolarHBondContact O-CB 3.47Å; N704-K735 PolarHBondContact O-N 2.75Å; D705-K735 IonicContact OD1-NZ 3.78Å; D705-K735 PolarHBondContact OD1-NZ 3.1Å; D705-K735 VanDerWaalsContact OD1-NZ 3.12Å; F706-K735 PolarHBondContact O-N 3.41Å |
| 736 | S | 89.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.2 | 179.2 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | A707 L708 | A707-S736 VanDerWaalsContact CA-O 3.26Å; A707-S736 WeakPolarHBondContact CA-O 3.3Å; A707-S736 VanDerWaalsContact CB-OG 3.24Å; A707-S736 WeakPolarHBondContact CB-OG 3.31Å; L708-S736 PolarHBondContact N-O 2.7Å |
| 737 | V | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.3 | 177.1 | -178 | 0 | 0 | 0 | 0 | 108.3 | W648 V649 L708 A731 C734 | W648-V737 CarbonylContact C-O 3.58Å; W648-V737 WeakPolarHBondContact CA-O 3.18Å; W648-V737 HydrophobicContact CB-CB 4.35Å; W648-V737 HydrophobicContact CD2-CB 3.67Å; W648-V737 HydrophobicContact CD2-CG1 4.3Å; W648-V737 HydrophobicContact CD2-CG2 3.79Å; W648-V737 HydrophobicContact CE3-CB 4.01Å; W648-V737 HydrophobicContact CE3-CG1 4.12Å; W648-V737 HydrophobicContact CE3-CG2 4.26Å; W648-V737 HydrophobicContact CG-CB 3.8Å; W648-V737 HydrophobicContact CG-CG2 4.2Å; W648-V737 HydrophobicContact CH2-CG2 4.35Å; W648-V737 HydrophobicContact CZ2-CG2 3.82Å; V649-V737 PolarHBondContact N-O 3.41Å; L708-V737 HydrophobicContact CB-CG1 4.29Å; L708-V737 HydrophobicContact CB-CG2 4.26Å; L708-V737 HydrophobicContact CD2-CG1 4.26Å; L708-V737 CarbonylContact O-C 3.54Å; L708-V737 WeakPolarHBondContact O-CA 3.21Å; A731-V737 HydrophobicContact CB-CG2 4.31Å; C734-V737 HydrophobicContact CB-CG2 4.34Å |
| 738 | I | 94.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.6 | 177.5 | -56 | -179.1 | 0 | 0 | 0 | 107.8 | V649 A658 L667 L668 L708 I709 V710 | V649-I738 HydrophobicContact CB-CG1 4.41Å; V649-I738 HydrophobicContact CB-CG2 4.49Å; V649-I738 CarbonylContact O-C 3.55Å; V649-I738 WeakPolarHBondContact O-CA 3.17Å; A658-I738 HydrophobicContact CB-CG2 3.73Å; L667-I738 HydrophobicContact CD2-CD1 4.31Å; L667-I738 HydrophobicContact CD2-CG1 4.26Å; L668-I738 HydrophobicContact CD1-CD1 3.78Å; L668-I738 HydrophobicContact CD2-CD1 4.09Å; L668-I738 HydrophobicContact CG-CD1 4.03Å; L708-I738 PolarHBondContact O-N 3.14Å; I709-I738 VanDerWaalsContact CA-O 3.32Å; I709-I738 WeakPolarHBondContact CA-O 3.36Å; V710-I738 PolarHBondContact N-O 3.1Å |
| 739 | C | 93.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.2 | 174.9 | -57.3 | 0 | 0 | 0 | 0 | 109 | V649 L650 T651 V710 L715 V742 | V649-C739 PolarHBondContact O-N 2.82Å; L650-C739 HydrophobicContact CD2-CB 3.77Å; T651-C739 PolarHBondContact N-O 2.72Å; V710-C739 CarbonylContact O-C 3.55Å; V710-C739 VanDerWaalsContact O-CA 3.31Å; V710-C739 WeakPolarHBondContact O-CA 3.34Å; L715-C739 HydrophobicContact CD2-CB 4.42Å; C739-V742 HydrophobicContact CB-CG2 3.38Å |
| 740 | C | 89.4 | Confident | 88 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 152.3 | -173.2 | -49.1 | 0 | 0 | 0 | 0 | 110.7 | T651 Q655 V710 D711 G712 V742 | T651-C740 CarbonylContact O-C 3.5Å; Q655-C740 HydrophobicContact CB-CB 4.16Å; V710-C740 PolarHBondContact O-N 2.85Å; D711-C740 CarbonylContact C-O 3.55Å; G712-C740 PolarHBondContact N-O 3.12Å; C740-V742 PolarHBondContact O-N 3.44Å |
| 741 | R | 83.9 | Confident | 88.2 | Confident | 145 Ų | 145 | 29.1 Ų | 29.1 | 55% | 0.547 | 13% | 0.134 | S | C | . | . | S | Bend | trans | 50.5 | 37.8 | -177 | -58.9 | -173.3 | 178.5 | 178.6 | 2.7 | 113.9 | T651 D653 | T651-R741 PolarHBondContact O-N 2.82Å; D653-R741 PolarHBondContact O-N 3.45Å |
| 742 | V | 85.2 | Confident | 88.3 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | trans | -86 | 129.6 | -176.8 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | T651 L715 C739 C740 Q746 K747 | T651-V742 PolarHBondContact O-N 3Å; L715-V742 HydrophobicContact CD2-CG1 3.98Å; L715-V742 HydrophobicContact CD2-CG2 4.04Å; C739-V742 HydrophobicContact CB-CG2 3.38Å; C740-V742 PolarHBondContact O-N 3.44Å; V742-Q746 HydrophobicContact CG1-CB 3.45Å; V742-Q746 VanDerWaalsContact CG1-CB 3.45Å; V742-K747 HydrophobicContact CB-CG 4.27Å; V742-K747 HydrophobicContact CG1-CB 4.46Å; V742-K747 HydrophobicContact CG1-CG 3.67Å | ||
| 743 | S | 80.5 | Confident | 88.5 | Confident | 47 Ų | 47 | 32.4 Ų | 32.4 | 33% | 0.329 | 15% | 0.148 | S | C | . | . | trans | -73.1 | 154.6 | 174.3 | 73.4 | 0 | 0 | 0 | 0 | 112 | W745 Q746 K747 | S743-W745 PolarHBondContact O-N 3.1Å; S743-W745 VanDerWaalsContact O-N 3.1Å; S743-Q746 WeakPolarHBondContact O-CB 3.41Å; S743-Q746 PolarHBondContact O-N 3.22Å; S743-Q746 WeakPolarHBondContact OG-CG 3.31Å; S743-Q746 PolarHBondContact OG-N 3.08Å; S743-Q746 PolarHBondContact OG-OE1 3.3Å; S743-K747 PolarHBondContact O-N 2.88Å | ||
| 744 | P | 80.5 | Confident | 88.8 | Confident | 52 Ų | 52 | 32.5 Ų | 32.5 | 34% | 0.338 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -51.6 | -37 | 177.3 | -30.9 | 37.9 | 0 | 0 | 0 | 113.8 | K747 A748 N771 | P744-K747 PolarHBondContact O-N 3.46Å; P744-A748 PolarHBondContact O-N 3.45Å; P744-N771 HydrophobicContact CB-CB 4.46Å; P744-N771 WeakPolarHBondContact CB-O 3.47Å; P744-N771 HydrophobicContact CG-CB 3.92Å; P744-N771 VanDerWaalsContact CG-OD1 3.28Å; P744-N771 WeakPolarHBondContact CG-OD1 3.33Å |
| 745 | W | 84.4 | Confident | 89.1 | Confident | 175 Ų | 175 | 36.5 Ų | 36.5 | 66% | 0.663 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -67.9 | -43.9 | 176.8 | 179.4 | 86.1 | 0 | 0 | 0 | 112.4 | S743 K747 A748 Q749 | S743-W745 PolarHBondContact O-N 3.1Å; S743-W745 VanDerWaalsContact O-N 3.1Å; W745-K747 VanDerWaalsContact C-N 3.34Å; W745-K747 PolarHBondContact O-N 3.39Å; W745-A748 PolarHBondContact O-N 3.02Å; W745-Q749 WeakPolarHBondContact O-CB 3.3Å; W745-Q749 PolarHBondContact O-N 3.44Å |
| 746 | Q | 87.8 | Confident | 89.3 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 175.8 | -72.9 | 172.5 | -28.7 | 0 | 0 | 111.4 | G712 L715 V742 S743 A748 Q749 L750 | G712-Q746 PolarHBondContact O-NE2 2.87Å; L715-Q746 HydrophobicContact CD2-CB 4.32Å; V742-Q746 HydrophobicContact CG1-CB 3.45Å; V742-Q746 VanDerWaalsContact CG1-CB 3.45Å; S743-Q746 WeakPolarHBondContact O-CB 3.41Å; S743-Q746 PolarHBondContact O-N 3.22Å; S743-Q746 WeakPolarHBondContact OG-CG 3.31Å; S743-Q746 PolarHBondContact OG-N 3.08Å; S743-Q746 PolarHBondContact OG-OE1 3.3Å; Q746-A748 PolarHBondContact O-N 3.25Å; Q746-Q749 PolarHBondContact O-N 3.42Å; Q746-L750 WeakPolarHBondContact O-CB 3.36Å; Q746-L750 PolarHBondContact O-N 3.46Å |
| 747 | K | 89.9 | Confident | 89.2 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.6 | -51.5 | 173.7 | -65.1 | -172 | 178 | -174.2 | 0 | 110.8 | D368 L650 V742 S743 P744 W745 Q749 L750 V751 D772 M775 | D368-K747 IonicContact OD1-NZ 3.43Å; D368-K747 PolarHBondContact OD1-NZ 3.28Å; L650-K747 HydrophobicContact CB-CD 4.31Å; L650-K747 HydrophobicContact CB-CG 4.06Å; L650-K747 HydrophobicContact CD1-CB 4.27Å; L650-K747 HydrophobicContact CD1-CG 4.45Å; L650-K747 WeakPolarHBondContact O-CE 3.32Å; L650-K747 PolarHBondContact O-NZ 2.65Å; V742-K747 HydrophobicContact CB-CG 4.27Å; V742-K747 HydrophobicContact CG1-CB 4.46Å; V742-K747 HydrophobicContact CG1-CG 3.67Å; S743-K747 PolarHBondContact O-N 2.88Å; P744-K747 PolarHBondContact O-N 3.46Å; W745-K747 VanDerWaalsContact C-N 3.34Å; W745-K747 PolarHBondContact O-N 3.39Å; K747-Q749 VanDerWaalsContact C-N 3.33Å; K747-Q749 PolarHBondContact O-N 3.48Å; K747-L750 PolarHBondContact O-N 2.99Å; K747-V751 WeakPolarHBondContact O-CG2 3.33Å; K747-V751 PolarHBondContact O-N 3.24Å; K747-D772 IonicContact NZ-OD1 3.65Å; K747-D772 PolarHBondContact NZ-OD1 2.95Å; K747-M775 HydrophobicContact CB-CB 4.1Å; K747-M775 HydrophobicContact CB-CG 4.28Å; K747-M775 HydrophobicContact CB-SD 4.39Å; K747-M775 HydrophobicContact CD-SD 4.4Å |
| 748 | A | 89 | Confident | 88.8 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P744 W745 Q746 K752 G774 A778 | P744-A748 PolarHBondContact O-N 3.45Å; W745-A748 PolarHBondContact O-N 3.02Å; Q746-A748 PolarHBondContact O-N 3.25Å; A748-K752 VanDerWaalsContact O-CG 3.31Å; A748-K752 WeakPolarHBondContact O-CG 3.33Å; A748-K752 PolarHBondContact O-N 3.08Å; A748-G774 WeakPolarHBondContact CB-O 3.42Å; A748-A778 HydrophobicContact CB-CB 4.46Å |
| 749 | Q | 91.1 | Very high | 88.1 | Confident | 50 Ų | 50 | 50.9 Ų | 50.9 | 23% | 0.234 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69 | -39.5 | 180 | -172.4 | 63.7 | 1.4 | 0 | 0 | 112.2 | L719 W745 Q746 K747 K752 L753 | L719-Q749 HydrophobicContact CD1-CB 4.44Å; L719-Q749 HydrophobicContact CD1-CG 4.28Å; W745-Q749 WeakPolarHBondContact O-CB 3.3Å; W745-Q749 PolarHBondContact O-N 3.44Å; Q746-Q749 PolarHBondContact O-N 3.42Å; K747-Q749 VanDerWaalsContact C-N 3.33Å; K747-Q749 PolarHBondContact O-N 3.48Å; Q749-K752 PolarHBondContact O-N 3.45Å; Q749-L753 WeakPolarHBondContact O-CB 3.43Å; Q749-L753 PolarHBondContact O-N 3.47Å |
| 750 | L | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.1 | -172.5 | 64.8 | 0 | 0 | 0 | 111.8 | W648 L650 L715 L719 F727 Q746 K747 K752 L753 V754 | W648-L750 HydrophobicContact CE3-CD2 4.16Å; W648-L750 HydrophobicContact CE3-CG 4.46Å; W648-L750 HydrophobicContact CZ3-CD1 4.1Å; W648-L750 HydrophobicContact CZ3-CD2 4.29Å; W648-L750 HydrophobicContact CZ3-CG 4.24Å; L650-L750 HydrophobicContact CD1-CD2 3.93Å; L650-L750 HydrophobicContact CD2-CD2 3.39Å; L650-L750 HydrophobicContact CG-CD2 4.33Å; L715-L750 HydrophobicContact CD1-CD1 4.42Å; L719-L750 HydrophobicContact CD2-CD1 4.29Å; F727-L750 HydrophobicContact CE1-CD1 3.71Å; F727-L750 HydrophobicContact CZ-CD1 4.29Å; Q746-L750 WeakPolarHBondContact O-CB 3.36Å; Q746-L750 PolarHBondContact O-N 3.46Å; K747-L750 PolarHBondContact O-N 2.99Å; L750-K752 PolarHBondContact O-N 3.44Å; L750-L753 HydrophobicContact CD1-CD2 4.3Å; L750-L753 WeakPolarHBondContact O-CB 3.49Å; L750-L753 PolarHBondContact O-N 3.35Å; L750-V754 PolarHBondContact O-N 3.1Å; L750-V754 VanDerWaalsContact O-N 3.14Å |
| 751 | V | 93.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 174.4 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | F366 L650 K747 L753 R755 M775 A778 A779 | F366-V751 HydrophobicContact CB-CG2 3.99Å; F366-V751 HydrophobicContact CD1-CG2 4Å; F366-V751 HydrophobicContact CD2-CB 4.45Å; F366-V751 HydrophobicContact CD2-CG1 4.25Å; F366-V751 HydrophobicContact CD2-CG2 3.69Å; F366-V751 HydrophobicContact CE1-CG2 4.41Å; F366-V751 HydrophobicContact CE2-CG1 4.29Å; F366-V751 HydrophobicContact CE2-CG2 4.14Å; F366-V751 HydrophobicContact CG-CG2 3.61Å; F366-V751 HydrophobicContact CZ-CG2 4.48Å; L650-V751 HydrophobicContact CD1-CG2 4.49Å; K747-V751 WeakPolarHBondContact O-CG2 3.33Å; K747-V751 PolarHBondContact O-N 3.24Å; V751-L753 VanDerWaalsContact C-N 3.31Å; V751-L753 PolarHBondContact O-N 2.79Å; V751-R755 WeakPolarHBondContact O-CB 3.43Å; V751-R755 PolarHBondContact O-N 2.87Å; V751-M775 HydrophobicContact CG2-CG 3.54Å; V751-A778 HydrophobicContact CB-CB 4.15Å; V751-A778 HydrophobicContact CG1-CB 3.96Å; V751-A779 HydrophobicContact CG1-CB 3.82Å |
| 752 | K | 91.6 | Very high | 87.8 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.3 | -75.2 | 173.2 | -174.6 | 169.9 | 0 | 111.8 | A748 Q749 L750 R755 Q756 A778 | A748-K752 VanDerWaalsContact O-CG 3.31Å; A748-K752 WeakPolarHBondContact O-CG 3.33Å; A748-K752 PolarHBondContact O-N 3.08Å; Q749-K752 PolarHBondContact O-N 3.45Å; L750-K752 PolarHBondContact O-N 3.44Å; K752-R755 PolarHBondContact O-N 3.31Å; K752-Q756 WeakPolarHBondContact O-CB 3.28Å; K752-Q756 VanDerWaalsContact O-CG 3.23Å; K752-Q756 WeakPolarHBondContact O-CG 3.48Å; K752-Q756 PolarHBondContact O-N 3.19Å; K752-A778 HydrophobicContact CG-CB 3.9Å |
| 753 | L | 92.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.7 | -57 | 177.9 | 170 | 60.7 | 0 | 0 | 0 | 110.8 | L719 R724 F727 L728 Q749 L750 V751 R755 Q756 S757 | L719-L753 HydrophobicContact CD2-CD2 3.8Å; R724-L753 HydrophobicContact CG-CD1 3.52Å; R724-L753 HydrophobicContact CG-CD2 4.24Å; R724-L753 VanDerWaalsContact CZ-CD1 3.45Å; R724-L753 VanDerWaalsContact NH2-CD1 3.34Å; F727-L753 HydrophobicContact CD1-CD2 4.29Å; F727-L753 HydrophobicContact CE1-CD2 4.5Å; L728-L753 HydrophobicContact CD1-CG 4.42Å; Q749-L753 WeakPolarHBondContact O-CB 3.43Å; Q749-L753 PolarHBondContact O-N 3.47Å; L750-L753 HydrophobicContact CD1-CD2 4.3Å; L750-L753 WeakPolarHBondContact O-CB 3.49Å; L750-L753 PolarHBondContact O-N 3.35Å; V751-L753 VanDerWaalsContact C-N 3.31Å; V751-L753 PolarHBondContact O-N 2.79Å; L753-R755 VanDerWaalsContact C-N 3.35Å; L753-R755 PolarHBondContact O-N 2.94Å; L753-Q756 PolarHBondContact O-N 3.05Å; L753-S757 WeakPolarHBondContact O-CB 3.09Å; L753-S757 PolarHBondContact O-N 3.47Å; L753-S757 PolarHBondContact O-OG 3.06Å |
| 754 | V | 92.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | Y364 F366 W648 L728 L750 Q756 S757 I758 T763 | Y364-V754 HydrophobicContact CD2-CG1 4.23Å; Y364-V754 HydrophobicContact CG-CG1 4.34Å; F366-V754 HydrophobicContact CE1-CG2 4.24Å; F366-V754 HydrophobicContact CZ-CB 3.79Å; F366-V754 HydrophobicContact CZ-CG1 4Å; F366-V754 HydrophobicContact CZ-CG2 3.82Å; W648-V754 HydrophobicContact CH2-CG2 3.82Å; W648-V754 HydrophobicContact CZ3-CG2 3.87Å; L728-V754 HydrophobicContact CD1-CG2 4.17Å; L750-V754 PolarHBondContact O-N 3.1Å; L750-V754 VanDerWaalsContact O-N 3.14Å; V754-Q756 PolarHBondContact O-N 3.24Å; V754-S757 PolarHBondContact O-OG 3.45Å; V754-I758 HydrophobicContact CG1-CD1 4.13Å; V754-I758 PolarHBondContact O-N 3.13Å; V754-T763 HydrophobicContact CG1-CG2 4.16Å |
| 755 | R | 91.4 | Very high | 89.8 | Confident | 88 Ų | 88 | 47 Ų | 47 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 176.7 | 165.7 | 164.5 | -175.9 | -154.5 | -3.2 | 113.2 | V751 K752 L753 T763 A778 H780 | V751-R755 WeakPolarHBondContact O-CB 3.43Å; V751-R755 PolarHBondContact O-N 2.87Å; K752-R755 PolarHBondContact O-N 3.31Å; L753-R755 VanDerWaalsContact C-N 3.35Å; L753-R755 PolarHBondContact O-N 2.94Å; R755-T763 HydrophobicContact CB-CG2 4.37Å; R755-A778 WeakPolarHBondContact CD-O 3.06Å; R755-A778 PolarHBondContact NH1-O 3.07Å; R755-H780 WeakPolarHBondContact CG-CE1 3.27Å; R755-H780 PolarHBondContact NE-CD2 3.47Å; R755-H780 PolarHBondContact NE-NE2 3.34Å; R755-H780 VanDerWaalsContact NE-NE2 3.14Å |
| 756 | Q | 89.9 | Confident | 90.3 | Very high | 117 Ų | 117 | 38.6 Ų | 38.6 | 55% | 0.547 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -79.2 | -34.6 | -177.7 | -74.4 | 174.8 | -7.5 | 0 | 0 | 112.6 | K752 L753 V754 | K752-Q756 WeakPolarHBondContact O-CB 3.28Å; K752-Q756 VanDerWaalsContact O-CG 3.23Å; K752-Q756 WeakPolarHBondContact O-CG 3.48Å; K752-Q756 PolarHBondContact O-N 3.19Å; L753-Q756 PolarHBondContact O-N 3.05Å; V754-Q756 PolarHBondContact O-N 3.24Å |
| 757 | S | 87.4 | Confident | 90.4 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -75.8 | -41.1 | -179.2 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | L728 L753 V754 | L728-S757 WeakPolarHBondContact CD2-OG 3.27Å; L753-S757 WeakPolarHBondContact O-CB 3.09Å; L753-S757 PolarHBondContact O-N 3.47Å; L753-S757 PolarHBondContact O-OG 3.06Å; V754-S757 PolarHBondContact O-OG 3.45Å |
| 758 | I | 85.6 | Confident | 90.2 | Very high | 32 Ų | 32 | 38 Ų | 38 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | trans | -105.6 | 81.2 | -178.4 | -43.8 | 176.7 | 0 | 0 | 0 | 110.3 | Y364 L732 V754 D760 A761 | Y364-I758 HydrophobicContact CE2-CD1 3.64Å; L732-I758 HydrophobicContact CD1-CD1 3.65Å; L732-I758 HydrophobicContact CD1-CG1 4.19Å; L732-I758 HydrophobicContact CD2-CD1 3.53Å; L732-I758 HydrophobicContact CG-CD1 4.24Å; V754-I758 HydrophobicContact CG1-CD1 4.13Å; V754-I758 PolarHBondContact O-N 3.13Å; I758-D760 PolarHBondContact O-N 3.42Å; I758-D760 VanDerWaalsContact O-N 3.11Å; I758-A761 HydrophobicContact CB-CB 4.01Å; I758-A761 HydrophobicContact CG2-CB 3.43Å; I758-A761 VanDerWaalsContact CG2-CB 3.43Å; I758-A761 PolarHBondContact O-N 3.47Å; I758-A761 VanDerWaalsContact O-N 3.11Å | ||
| 759 | K | 79.6 | Confident | 89.4 | Confident | 177 Ų | 177 | 37.8 Ų | 37.8 | 77% | 0.77 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.5 | -176.2 | -67.1 | -179.5 | -177.9 | 170.7 | 0 | 114.5 | ||
| 760 | D | 80.1 | Confident | 88.5 | Confident | 161 Ų | 161 | 36.1 Ų | 36.1 | 86% | 0.861 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -5.5 | -177 | -59.4 | -29.5 | 0 | 0 | 0 | 113.2 | I758 | I758-D760 PolarHBondContact O-N 3.42Å; I758-D760 VanDerWaalsContact O-N 3.11Å |
| 761 | A | 86.6 | Confident | 87.7 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | trans | -105.3 | 133.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R363 Y364 I758 H780 | R363-A761 HydrophobicContact CB-CB 4.28Å; Y364-A761 HydrophobicContact CD2-CB 3.99Å; Y364-A761 HydrophobicContact CE2-CB 3.79Å; I758-A761 HydrophobicContact CB-CB 4.01Å; I758-A761 HydrophobicContact CG2-CB 3.43Å; I758-A761 VanDerWaalsContact CG2-CB 3.43Å; I758-A761 PolarHBondContact O-N 3.47Å; I758-A761 VanDerWaalsContact O-N 3.11Å; A761-H780 PolarHBondContact O-CE1 3.38Å | ||
| 762 | V | 93.2 | Very high | 87.2 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.5 | 173.4 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | T246 E358 Q361 V362 R363 Y364 H780 V781 | T246-V762 HydrophobicContact CG2-CG2 4.05Å; E358-V762 HydrophobicContact CB-CG1 4.4Å; E358-V762 WeakPolarHBondContact OE2-CG1 3.44Å; E358-V762 VanDerWaalsContact OE2-CG2 3.27Å; E358-V762 WeakPolarHBondContact OE2-CG2 3.38Å; Q361-V762 HydrophobicContact CB-CB 4.23Å; Q361-V762 HydrophobicContact CB-CG2 3.66Å; V362-V762 HydrophobicContact CG2-CG1 4.19Å; R363-V762 PolarHBondContact N-O 3.46Å; Y364-V762 PolarHBondContact N-O 3.07Å; V762-H780 HydrophobicContact CG1-CB 3.8Å; V762-V781 HydrophobicContact CG1-CG2 4.49Å |
| 763 | T | 95.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.2 | -178.8 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | F366 V754 R755 H780 V781 | F366-T763 HydrophobicContact CE2-CG2 3.86Å; V754-T763 HydrophobicContact CG1-CG2 4.16Å; R755-T763 HydrophobicContact CB-CG2 4.37Å; T763-H780 PolarHBondContact N-ND1 3.22Å; T763-H780 WeakPolarHBondContact O-CB 3.18Å; T763-H780 PolarHBondContact O-N 3.03Å; T763-H780 PolarHBondContact OG1-N 3.28Å; T763-H780 PolarHBondContact OG1-ND1 3.5Å; T763-V781 PolarHBondContact O-N 3.28Å; T763-V781 VanDerWaalsContact O-N 3.09Å |
| 764 | L | 96.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.6 | 174 | -176.7 | 151 | 0 | 0 | 0 | 109.2 | L359 V362 Y364 I365 F366 I766 V781 V783 L807 L811 | L359-L764 HydrophobicContact CD2-CD1 4.38Å; V362-L764 HydrophobicContact CB-CB 4.48Å; V362-L764 HydrophobicContact CG1-CB 3.56Å; V362-L764 HydrophobicContact CG1-CD1 4.36Å; V362-L764 HydrophobicContact CG2-CB 4.04Å; V362-L764 HydrophobicContact CG2-CD1 3.99Å; Y364-L764 PolarHBondContact O-N 2.78Å; I365-L764 CarbonylContact C-O 3.51Å; I365-L764 VanDerWaalsContact CA-O 3.32Å; I365-L764 WeakPolarHBondContact CA-O 3.32Å; I365-L764 HydrophobicContact CG1-CB 4.21Å; I365-L764 HydrophobicContact CG1-CD2 4.15Å; I365-L764 HydrophobicContact CG2-CD2 4.06Å; F366-L764 WeakPolarHBondContact CD2-O 3.45Å; F366-L764 PolarHBondContact N-O 2.84Å; L764-I766 HydrophobicContact CD2-CB 4.19Å; L764-V781 CarbonylContact C-O 3.5Å; L764-V781 VanDerWaalsContact CA-O 3.28Å; L764-V781 WeakPolarHBondContact CA-O 3.29Å; L764-V781 HydrophobicContact CD1-CB 4.41Å; L764-V781 HydrophobicContact CD1-CG1 4.14Å; L764-V781 HydrophobicContact CG-CB 4.38Å; L764-V781 HydrophobicContact CG-CG1 4.4Å; L764-V783 HydrophobicContact CD1-CG2 3.88Å; L764-V783 HydrophobicContact CD2-CG2 4.04Å; L764-V783 HydrophobicContact CG-CG2 4.07Å; L764-L807 HydrophobicContact CD1-CD1 4.21Å; L764-L807 HydrophobicContact CD2-CD1 4.44Å; L764-L811 HydrophobicContact CD1-CD1 4.35Å; L764-L811 HydrophobicContact CD1-CD2 3.85Å |
| 765 | A | 96.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | F366 M775 I776 A779 V781 V783 | F366-A765 HydrophobicContact CB-CB 4.4Å; F366-A765 CarbonylContact O-C 3.51Å; F366-A765 VanDerWaalsContact O-CA 3.28Å; F366-A765 WeakPolarHBondContact O-CA 3.36Å; A765-M775 HydrophobicContact CB-CE 4.22Å; A765-M775 HydrophobicContact CB-CG 3.84Å; A765-M775 WeakPolarHBondContact CB-O 3.31Å; A765-M775 HydrophobicContact CB-SD 4.44Å; A765-I776 HydrophobicContact CB-CG1 4.44Å; A765-A779 HydrophobicContact CB-CB 3.54Å; A765-V781 PolarHBondContact N-O 2.9Å; A765-V783 PolarHBondContact O-N 3.44Å |
| 766 | I | 95.1 | Very high | 86 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133 | 178.3 | -172.3 | 166.8 | 0 | 0 | 0 | 111.2 | I365 F366 D368 T372 L764 M775 V783 I785 I801 F804 L807 | I365-I766 HydrophobicContact CG2-CG2 4.14Å; F366-I766 PolarHBondContact O-N 2.82Å; D368-I766 PolarHBondContact N-O 3.17Å; T372-I766 HydrophobicContact CG2-CG1 4.22Å; T372-I766 HydrophobicContact CG2-CG2 4.26Å; L764-I766 HydrophobicContact CD2-CB 4.19Å; I766-M775 VanDerWaalsContact O-CE 3.25Å; I766-M775 WeakPolarHBondContact O-CE 3.42Å; I766-V783 VanDerWaalsContact CA-O 3.27Å; I766-V783 WeakPolarHBondContact CA-O 3.29Å; I766-V783 HydrophobicContact CB-CB 4.16Å; I766-V783 HydrophobicContact CD1-CB 4.2Å; I766-V783 HydrophobicContact CD1-CG1 3.8Å; I766-V783 HydrophobicContact CG1-CB 4.01Å; I766-V783 HydrophobicContact CG1-CG1 4.01Å; I766-I785 HydrophobicContact CD1-CD1 3.97Å; I766-I785 HydrophobicContact CD1-CG1 4.08Å; I766-I785 HydrophobicContact CG1-CD1 4.1Å; I766-I785 HydrophobicContact CG1-CG1 4.13Å; I766-I801 HydrophobicContact CD1-CD1 4.11Å; I766-F804 HydrophobicContact CD1-CD2 3.82Å; I766-F804 HydrophobicContact CD1-CE2 4.19Å; I766-F804 HydrophobicContact CG2-CE2 4.05Å; I766-L807 HydrophobicContact CD1-CD2 4.06Å |
| 767 | G | 89.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 168 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T372 V783 G784 I785 | T372-G767 WeakPolarHBondContact OG1-CA 3.47Å; G767-V783 PolarHBondContact N-O 3.24Å; G767-G784 CarbonylContact O-C 3.55Å; G767-G784 VanDerWaalsContact O-CA 3.28Å; G767-G784 WeakPolarHBondContact O-CA 3.06Å; G767-I785 PolarHBondContact O-N 2.81Å |
| 768 | D | 84.5 | Confident | 86 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -116.6 | -33.7 | -177.4 | 68 | -45.1 | 0 | 0 | 0 | 112 | G371 T372 I785 A793 | G371-D768 VanDerWaalsContact CA-OD2 3.29Å; G371-D768 WeakPolarHBondContact CA-OD2 3.36Å; T372-D768 PolarHBondContact OG1-N 3.33Å; T372-D768 PolarHBondContact OG1-OD1 3.44Å; D768-I785 HydrophobicContact CB-CB 3.93Å; D768-I785 HydrophobicContact CB-CG2 4.17Å; D768-A793 WeakPolarHBondContact O-CB 3.2Å |
| 769 | G | 72.8 | Confident | 86.4 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -94.3 | 168.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N771 D772 | G769-N771 PolarHBondContact O-N 3.13Å; G769-D772 PolarHBondContact O-N 3.23Å; G769-D772 VanDerWaalsContact O-N 3.11Å |
| 770 | A | 71.4 | Confident | 87.1 | Confident | 14 Ų | 14 | 16.4 Ų | 16.4 | 12% | 0.116 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -60.9 | -30.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N144 L145 D772 V773 Q792 | N144-A770 VanDerWaalsContact O-CB 3.28Å; N144-A770 WeakPolarHBondContact O-CB 3.29Å; L145-A770 WeakPolarHBondContact O-CB 3.35Å; A770-D772 PolarHBondContact O-N 3.45Å; A770-D772 VanDerWaalsContact O-N 3.14Å; A770-V773 WeakPolarHBondContact O-CB 3.47Å; A770-V773 WeakPolarHBondContact O-CG2 3.42Å; A770-V773 PolarHBondContact O-N 3.23Å; A770-V773 VanDerWaalsContact O-N 3.11Å; A770-Q792 HydrophobicContact CB-CB 4.44Å |
| 771 | N | 75.8 | Confident | 87.8 | Confident | 36 Ų | 36 | 8.8 Ų | 8.8 | 19% | 0.193 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | -55.6 | -28.5 | 173.9 | -79.9 | -8 | 0 | 0 | 0 | 114.2 | D146 P744 G769 | D146-N771 VanDerWaalsContact CA-OD1 3.24Å; D146-N771 WeakPolarHBondContact CA-OD1 3.45Å; D146-N771 PolarHBondContact O-ND2 3.27Å; D146-N771 PolarHBondContact O-OD1 2.94Å; P744-N771 HydrophobicContact CB-CB 4.46Å; P744-N771 WeakPolarHBondContact CB-O 3.47Å; P744-N771 HydrophobicContact CG-CB 3.92Å; P744-N771 VanDerWaalsContact CG-OD1 3.28Å; P744-N771 WeakPolarHBondContact CG-OD1 3.33Å; G769-N771 PolarHBondContact O-N 3.13Å |
| 772 | D | 82.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -92.8 | -9.6 | -175.4 | -60.2 | -43.6 | 0 | 0 | 0 | 112.4 | D368 K747 G769 A770 G774 M775 I776 | D368-D772 WeakPolarHBondContact CB-OD2 3.43Å; K747-D772 IonicContact NZ-OD1 3.65Å; K747-D772 PolarHBondContact NZ-OD1 2.95Å; G769-D772 PolarHBondContact O-N 3.23Å; G769-D772 VanDerWaalsContact O-N 3.11Å; A770-D772 PolarHBondContact O-N 3.45Å; A770-D772 VanDerWaalsContact O-N 3.14Å; D772-G774 VanDerWaalsContact C-N 3.25Å; D772-G774 PolarHBondContact O-N 2.97Å; D772-M775 HydrophobicContact CB-CE 3.94Å; D772-M775 CarbonylContact O-C 3.58Å; D772-M775 WeakPolarHBondContact O-CA 3.5Å; D772-M775 VanDerWaalsContact O-CB 3.3Å; D772-M775 WeakPolarHBondContact O-CB 3.43Å; D772-M775 PolarHBondContact O-N 3.4Å; D772-I776 HydrophobicContact CB-CD1 4.13Å; D772-I776 HydrophobicContact CB-CG1 4.46Å; D772-I776 WeakPolarHBondContact O-CB 3.38Å; D772-I776 VanDerWaalsContact O-CG1 3.26Å; D772-I776 WeakPolarHBondContact O-CG1 3.48Å; D772-I776 PolarHBondContact O-N 2.98Å |
| 773 | V | 81.1 | Confident | 88.2 | Confident | 22 Ų | 22 | 8.4 Ų | 8.4 | 13% | 0.133 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.2 | -42.8 | 179.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | A770 M775 I776 Q777 A796 | A770-V773 WeakPolarHBondContact O-CB 3.47Å; A770-V773 WeakPolarHBondContact O-CG2 3.42Å; A770-V773 PolarHBondContact O-N 3.23Å; A770-V773 VanDerWaalsContact O-N 3.11Å; V773-M775 VanDerWaalsContact C-N 3.34Å; V773-M775 PolarHBondContact O-N 2.97Å; V773-I776 PolarHBondContact O-N 3.14Å; V773-Q777 HydrophobicContact CG1-CG 4.28Å; V773-Q777 WeakPolarHBondContact O-CB 3.4Å; V773-Q777 VanDerWaalsContact O-CG 3.27Å; V773-Q777 WeakPolarHBondContact O-CG 3.46Å; V773-Q777 PolarHBondContact O-N 3.24Å; V773-A796 HydrophobicContact CB-CB 4.45Å; V773-A796 HydrophobicContact CG1-CB 3.67Å; V773-A796 HydrophobicContact CG2-CB 4.1Å |
| 774 | G | 83.2 | Confident | 87.9 | Confident | 31 Ų | 31 | 8.4 Ų | 8.4 | 32% | 0.32 | 6% | 0.055 | S | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A748 D772 A778 | A748-G774 WeakPolarHBondContact CB-O 3.42Å; D772-G774 VanDerWaalsContact C-N 3.25Å; D772-G774 PolarHBondContact O-N 2.97Å; G774-A778 VanDerWaalsContact O-CB 3.24Å; G774-A778 WeakPolarHBondContact O-CB 3.28Å; G774-A778 PolarHBondContact O-N 2.71Å; G774-A778 VanDerWaalsContact O-N 3.15Å |
| 775 | M | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.1 | -47.7 | 176.6 | -171.9 | -172.8 | 59 | 0 | 0 | 111.5 | F366 L650 K747 V751 A765 I766 D772 V773 A778 A779 | F366-M775 HydrophobicContact CB-SD 3.97Å; L650-M775 HydrophobicContact CB-SD 4.47Å; L650-M775 HydrophobicContact CD1-SD 3.85Å; L650-M775 HydrophobicContact CG-SD 4.48Å; K747-M775 HydrophobicContact CB-CB 4.1Å; K747-M775 HydrophobicContact CB-CG 4.28Å; K747-M775 HydrophobicContact CB-SD 4.39Å; K747-M775 HydrophobicContact CD-SD 4.4Å; V751-M775 HydrophobicContact CG2-CG 3.54Å; A765-M775 HydrophobicContact CB-CE 4.22Å; A765-M775 HydrophobicContact CB-CG 3.84Å; A765-M775 WeakPolarHBondContact CB-O 3.31Å; A765-M775 HydrophobicContact CB-SD 4.44Å; I766-M775 VanDerWaalsContact O-CE 3.25Å; I766-M775 WeakPolarHBondContact O-CE 3.42Å; D772-M775 HydrophobicContact CB-CE 3.94Å; D772-M775 CarbonylContact O-C 3.58Å; D772-M775 WeakPolarHBondContact O-CA 3.5Å; D772-M775 VanDerWaalsContact O-CB 3.3Å; D772-M775 WeakPolarHBondContact O-CB 3.43Å; D772-M775 PolarHBondContact O-N 3.4Å; V773-M775 VanDerWaalsContact C-N 3.34Å; V773-M775 PolarHBondContact O-N 2.97Å; M775-A778 PolarHBondContact O-N 2.65Å; M775-A779 PolarHBondContact O-N 2.61Å |
| 776 | I | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 179.3 | -70.9 | 172.1 | 0 | 0 | 0 | 111.2 | K243 A765 D772 V773 A793 | K243-I776 PolarHBondContact NZ-O 3.5Å; A765-I776 HydrophobicContact CB-CG1 4.44Å; D772-I776 HydrophobicContact CB-CD1 4.13Å; D772-I776 HydrophobicContact CB-CG1 4.46Å; D772-I776 WeakPolarHBondContact O-CB 3.38Å; D772-I776 VanDerWaalsContact O-CG1 3.26Å; D772-I776 WeakPolarHBondContact O-CG1 3.48Å; D772-I776 PolarHBondContact O-N 2.98Å; V773-I776 PolarHBondContact O-N 3.14Å; I776-A793 HydrophobicContact CD1-CB 3.79Å |
| 777 | Q | 87.4 | Confident | 85.3 | Confident | 25 Ų | 25 | 10.7 Ų | 10.7 | 12% | 0.117 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.4 | -31 | 178.5 | -71.1 | -177.5 | -3.2 | 0 | 0 | 112.6 | T238 P241 V773 | T238-Q777 PolarHBondContact O-NE2 3.48Å; T238-Q777 PolarHBondContact OG1-NE2 3.45Å; T238-Q777 PolarHBondContact OG1-OE1 3.03Å; P241-Q777 HydrophobicContact CG-CB 4.2Å; V773-Q777 HydrophobicContact CG1-CG 4.28Å; V773-Q777 WeakPolarHBondContact O-CB 3.4Å; V773-Q777 VanDerWaalsContact O-CG 3.27Å; V773-Q777 WeakPolarHBondContact O-CG 3.46Å; V773-Q777 PolarHBondContact O-N 3.24Å |
| 778 | A | 89.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 5% | 0.05 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.8 | -33.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A748 V751 K752 R755 G774 M775 | A748-A778 HydrophobicContact CB-CB 4.46Å; V751-A778 HydrophobicContact CB-CB 4.15Å; V751-A778 HydrophobicContact CG1-CB 3.96Å; K752-A778 HydrophobicContact CG-CB 3.9Å; R755-A778 WeakPolarHBondContact CD-O 3.06Å; R755-A778 PolarHBondContact NH1-O 3.07Å; G774-A778 VanDerWaalsContact O-CB 3.24Å; G774-A778 WeakPolarHBondContact O-CB 3.28Å; G774-A778 PolarHBondContact O-N 2.71Å; G774-A778 VanDerWaalsContact O-N 3.15Å; M775-A778 PolarHBondContact O-N 2.65Å |
| 779 | A | 93.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -68.7 | 160 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K243 V751 A765 M775 V781 | K243-A779 VanDerWaalsContact CE-O 3.3Å; K243-A779 WeakPolarHBondContact CE-O 3.11Å; K243-A779 PolarHBondContact NZ-O 3.46Å; V751-A779 HydrophobicContact CG1-CB 3.82Å; A765-A779 HydrophobicContact CB-CB 3.54Å; M775-A779 PolarHBondContact O-N 2.61Å; A779-V781 VanDerWaalsContact C-N 3.3Å; A779-V781 VanDerWaalsContact CB-O 3.32Å; A779-V781 WeakPolarHBondContact CB-O 3.36Å |
| 780 | H | 93.8 | Very high | 81.5 | Confident | 26 Ų | 26 | 21.1 Ų | 21.1 | 12% | 0.12 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -64.9 | -37.2 | 171.7 | -67.1 | 104.8 | 0 | 0 | 0 | 111.8 | K243 R755 A761 V762 T763 | K243-H780 WeakPolarHBondContact CD-O 3.36Å; R755-H780 WeakPolarHBondContact CG-CE1 3.27Å; R755-H780 PolarHBondContact NE-CD2 3.47Å; R755-H780 PolarHBondContact NE-NE2 3.34Å; R755-H780 VanDerWaalsContact NE-NE2 3.14Å; A761-H780 PolarHBondContact O-CE1 3.38Å; V762-H780 HydrophobicContact CG1-CB 3.8Å; T763-H780 PolarHBondContact N-ND1 3.22Å; T763-H780 WeakPolarHBondContact O-CB 3.18Å; T763-H780 PolarHBondContact O-N 3.03Å; T763-H780 PolarHBondContact OG1-N 3.28Å; T763-H780 PolarHBondContact OG1-ND1 3.5Å |
| 781 | V | 94.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.3 | 173 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | E358 L359 V762 T763 L764 A765 A779 V783 Y799 | E358-V781 HydrophobicContact CB-CG2 3.6Å; L359-V781 HydrophobicContact CD2-CG1 3.86Å; V762-V781 HydrophobicContact CG1-CG2 4.49Å; T763-V781 PolarHBondContact O-N 3.28Å; T763-V781 VanDerWaalsContact O-N 3.09Å; L764-V781 CarbonylContact C-O 3.5Å; L764-V781 VanDerWaalsContact CA-O 3.28Å; L764-V781 WeakPolarHBondContact CA-O 3.29Å; L764-V781 HydrophobicContact CD1-CB 4.41Å; L764-V781 HydrophobicContact CD1-CG1 4.14Å; L764-V781 HydrophobicContact CG-CB 4.38Å; L764-V781 HydrophobicContact CG-CG1 4.4Å; A765-V781 PolarHBondContact N-O 2.9Å; A779-V781 VanDerWaalsContact C-N 3.3Å; A779-V781 VanDerWaalsContact CB-O 3.32Å; A779-V781 WeakPolarHBondContact CB-O 3.36Å; V781-V783 HydrophobicContact CG1-CG2 4.45Å; V781-Y799 HydrophobicContact CG1-CD2 3.8Å; V781-Y799 HydrophobicContact CG1-CE2 3.73Å |
| 782 | G | 93.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D798 Y799 | G782-D798 PolarHBondContact N-OD2 3.35Å; G782-D798 WeakPolarHBondContact O-CA 3.32Å; G782-D798 WeakPolarHBondContact O-CB 3.42Å; G782-D798 PolarHBondContact O-N 3.45Å; G782-Y799 PolarHBondContact O-N 3.29Å; G782-Y799 VanDerWaalsContact O-N 3.1Å |
| 783 | V | 94.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.7 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | L764 A765 I766 G767 V781 Y799 I801 L807 | L764-V783 HydrophobicContact CD1-CG2 3.88Å; L764-V783 HydrophobicContact CD2-CG2 4.04Å; L764-V783 HydrophobicContact CG-CG2 4.07Å; A765-V783 PolarHBondContact O-N 3.44Å; I766-V783 VanDerWaalsContact CA-O 3.27Å; I766-V783 WeakPolarHBondContact CA-O 3.29Å; I766-V783 HydrophobicContact CB-CB 4.16Å; I766-V783 HydrophobicContact CD1-CB 4.2Å; I766-V783 HydrophobicContact CD1-CG1 3.8Å; I766-V783 HydrophobicContact CG1-CB 4.01Å; I766-V783 HydrophobicContact CG1-CG1 4.01Å; G767-V783 PolarHBondContact N-O 3.24Å; V781-V783 HydrophobicContact CG1-CG2 4.45Å; V783-Y799 CarbonylContact C-O 3.54Å; V783-Y799 WeakPolarHBondContact CA-O 3.47Å; V783-I801 HydrophobicContact CG1-CD1 3.71Å; V783-I801 HydrophobicContact CG1-CG1 3.77Å; V783-L807 HydrophobicContact CG2-CD1 4.25Å |
| 784 | G | 90.3 | Very high | 80.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | G767 S797 Y799 A800 I801 | G767-G784 CarbonylContact O-C 3.55Å; G767-G784 VanDerWaalsContact O-CA 3.28Å; G767-G784 WeakPolarHBondContact O-CA 3.06Å; G784-S797 PolarHBondContact N-OG 3.16Å; G784-Y799 PolarHBondContact N-O 3.47Å; G784-A800 CarbonylContact O-C 3.51Å; G784-A800 VanDerWaalsContact O-CA 3.26Å; G784-A800 WeakPolarHBondContact O-CA 3.46Å; G784-I801 PolarHBondContact O-N 3.48Å |
| 785 | I | 89.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.7 | 171.2 | -72.8 | 174.9 | 0 | 0 | 0 | 108.5 | T372 I766 G767 D768 G787 I801 A802 F804 | T372-I785 HydrophobicContact CG2-CD1 3.63Å; I766-I785 HydrophobicContact CD1-CD1 3.97Å; I766-I785 HydrophobicContact CD1-CG1 4.08Å; I766-I785 HydrophobicContact CG1-CD1 4.1Å; I766-I785 HydrophobicContact CG1-CG1 4.13Å; G767-I785 PolarHBondContact O-N 2.81Å; D768-I785 HydrophobicContact CB-CB 3.93Å; D768-I785 HydrophobicContact CB-CG2 4.17Å; I785-G787 PolarHBondContact O-N 3.35Å; I785-I801 CarbonylContact C-O 3.53Å; I785-I801 VanDerWaalsContact CA-O 3.25Å; I785-I801 WeakPolarHBondContact CA-O 3.3Å; I785-I801 HydrophobicContact CG1-CG1 4.29Å; I785-A802 WeakPolarHBondContact CG2-O 3.22Å; I785-F804 HydrophobicContact CD1-CB 4.3Å |
| 786 | S | 78.4 | Confident | 78.7 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 16% | 0.161 | 17% | 0.172 | C | C | . | . | trans | -83 | 73.2 | 176.1 | -58 | 0 | 0 | 0 | 0 | 108.5 | I801 | S786-I801 PolarHBondContact N-O 2.91Š| ||
| 787 | G | 64.6 | Low | 78.6 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 26% | 0.258 | 17% | 0.174 | S | C | . | . | trans | -75.9 | 172.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I785 E789 | I785-G787 PolarHBondContact O-N 3.35Å; G787-E789 PolarHBondContact O-N 3.46Å | ||
| 788 | M | 57 | Low | 78.7 | Confident | 183 Ų | 183 | 32.2 Ų | 32.2 | 90% | 0.901 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -70 | -23.3 | 169.8 | -64.9 | -69.4 | -80.5 | 0 | 0 | 111.9 | ||
| 789 | E | 53.5 | Low | 78.8 | Confident | 40 Ų | 40 | 32 Ų | 32 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -89.2 | -20.7 | -163.3 | -64.3 | 170.9 | 161.8 | 0 | 0 | 112.9 | S143 T149 N376 G787 | S143-E789 WeakPolarHBondContact CB-O 3.45Å; S143-E789 PolarHBondContact OG-O 2.77Å; T149-E789 HydrophobicContact CG2-CB 4Å; T149-E789 HydrophobicContact CG2-CG 3.83Å; T149-E789 WeakPolarHBondContact CG2-OE1 3.45Å; T149-E789 WeakPolarHBondContact CG2-OE2 3.39Å; N376-E789 VanDerWaalsContact CB-OE1 3.3Å; N376-E789 WeakPolarHBondContact CB-OE1 3.41Å; N376-E789 PolarHBondContact ND2-OE1 3.21Å; N376-E789 PolarHBondContact ND2-OE2 3.09Å; G787-E789 PolarHBondContact O-N 3.46Å |
| 790 | G | 56.7 | Low | 78.7 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | trans | 176.1 | 146.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N144 | N144-G790 WeakPolarHBondContact OD1-CA 3.42Š| ||
| 791 | R | 65.6 | Low | 78.7 | Confident | 183 Ų | 183 | 31 Ų | 31 | 69% | 0.691 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -101.6 | 4.2 | -180 | -68.3 | -178 | 177.8 | 170.6 | -1.9 | 113.1 | A794 C795 | R791-A794 PolarHBondContact O-N 2.87Å; R791-C795 WeakPolarHBondContact O-CB 3.38Å; R791-C795 PolarHBondContact O-N 3.46Å; R791-C795 PolarHBondContact O-SG 2.87Å |
| 792 | Q | 67.7 | Low | 78.5 | Confident | 65 Ų | 65 | 31.2 Ų | 31.2 | 30% | 0.304 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.2 | -43.8 | -171.7 | -68 | -154.3 | 4 | 0 | 0 | 113.9 | N144 A770 C795 A796 | N144-Q792 HydrophobicContact CB-CG 4.38Å; N144-Q792 PolarHBondContact O-NE2 3.3Å; N144-Q792 PolarHBondContact O-OE1 3.44Å; A770-Q792 HydrophobicContact CB-CB 4.44Å; Q792-C795 WeakPolarHBondContact O-CA 3.15Å; Q792-C795 WeakPolarHBondContact O-CB 3.36Å; Q792-C795 PolarHBondContact O-N 3.47Å; Q792-C795 VanDerWaalsContact O-N 3.09Å; Q792-A796 WeakPolarHBondContact O-CB 3.35Å; Q792-A796 PolarHBondContact O-N 2.63Å |
| 793 | A | 73 | Confident | 78.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | D768 I776 C795 A796 S797 | D768-A793 WeakPolarHBondContact O-CB 3.2Å; I776-A793 HydrophobicContact CD1-CB 3.79Å; A793-C795 PolarHBondContact O-N 3.42Å; A793-A796 PolarHBondContact O-N 3.24Å; A793-S797 WeakPolarHBondContact O-CB 3.45Å; A793-S797 PolarHBondContact O-N 3.4Å; A793-S797 PolarHBondContact O-OG 2.95Å |
| 794 | A | 76.3 | Confident | 78.4 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.1 | -30.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R351 R791 S797 A800 | R351-A794 WeakPolarHBondContact CD-O 3.41Å; R351-A794 PolarHBondContact NE-O 3.27Å; R791-A794 PolarHBondContact O-N 2.87Å; A794-S797 PolarHBondContact O-OG 2.95Å; A794-S797 VanDerWaalsContact O-OG 3.14Å; A794-A800 HydrophobicContact CB-CB 4.08Å |
| 795 | C | 70.9 | Confident | 78.6 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 47% | 0.473 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -75.1 | -37.7 | 176.7 | -82 | 0 | 0 | 0 | 0 | 113.4 | R351 R791 Q792 A793 | R351-C795 PolarHBondContact NH1-O 2.85Å; R791-C795 WeakPolarHBondContact O-CB 3.38Å; R791-C795 PolarHBondContact O-N 3.46Å; R791-C795 PolarHBondContact O-SG 2.87Å; Q792-C795 WeakPolarHBondContact O-CA 3.15Å; Q792-C795 WeakPolarHBondContact O-CB 3.36Å; Q792-C795 PolarHBondContact O-N 3.47Å; Q792-C795 VanDerWaalsContact O-N 3.09Å; A793-C795 PolarHBondContact O-N 3.42Å |
| 796 | A | 73.8 | Confident | 78.9 | Confident | 26 Ų | 26 | 36.8 Ų | 36.8 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -90.4 | -5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V773 Q792 A793 | V773-A796 HydrophobicContact CB-CB 4.45Å; V773-A796 HydrophobicContact CG1-CB 3.67Å; V773-A796 HydrophobicContact CG2-CB 4.1Å; Q792-A796 WeakPolarHBondContact O-CB 3.35Å; Q792-A796 PolarHBondContact O-N 2.63Å; A793-A796 PolarHBondContact O-N 3.24Å |
| 797 | S | 86.1 | Confident | 79.7 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -85.7 | 161.2 | -177.5 | 67 | 0 | 0 | 0 | 0 | 113.9 | R351 G784 A793 A794 Y799 | R351-S797 WeakPolarHBondContact CD-O 3.14Å; G784-S797 PolarHBondContact N-OG 3.16Å; A793-S797 WeakPolarHBondContact O-CB 3.45Å; A793-S797 PolarHBondContact O-N 3.4Å; A793-S797 PolarHBondContact O-OG 2.95Å; A794-S797 PolarHBondContact O-OG 2.95Å; A794-S797 VanDerWaalsContact O-OG 3.14Å; S797-Y799 VanDerWaalsContact CB-O 3.3Å; S797-Y799 WeakPolarHBondContact CB-O 3.37Å; S797-Y799 PolarHBondContact OG-O 3.04Å |
| 798 | D | 89.2 | Confident | 81.1 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -77.9 | -34.2 | 173.7 | -60.5 | -58.4 | 0 | 0 | 0 | 111.6 | K243 R351 T352 L355 G782 | K243-D798 WeakPolarHBondContact CD-OD2 3.4Å; K243-D798 WeakPolarHBondContact CE-OD2 3.27Å; K243-D798 IonicContact NZ-OD2 3.13Å; K243-D798 PolarHBondContact NZ-OD2 3.2Å; R351-D798 WeakPolarHBondContact CA-O 3.23Å; R351-D798 WeakPolarHBondContact CB-O 3.48Å; R351-D798 PolarHBondContact N-O 3.1Å; T352-D798 WeakPolarHBondContact CB-OD1 3.47Å; T352-D798 PolarHBondContact N-O 3.3Å; T352-D798 PolarHBondContact OG1-OD1 2.91Å; L355-D798 HydrophobicContact CD1-CB 3.95Å; L355-D798 WeakPolarHBondContact CD1-OD1 3.27Å; G782-D798 PolarHBondContact N-OD2 3.35Å; G782-D798 WeakPolarHBondContact O-CA 3.32Å; G782-D798 WeakPolarHBondContact O-CB 3.42Å; G782-D798 PolarHBondContact O-N 3.45Å |
| 799 | Y | 92.7 | Very high | 83 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140 | 173.4 | -57.6 | -88 | 0 | 0 | 0 | 109.4 | I333 M349 A350 L355 N356 L359 V781 G782 V783 G784 S797 L810 | I333-Y799 HydrophobicContact CD1-CE1 3.95Å; M349-Y799 CarbonylContact O-C 3.58Å; M349-Y799 WeakPolarHBondContact O-CA 3.37Å; A350-Y799 HydrophobicContact CB-CD1 3.69Å; A350-Y799 HydrophobicContact CB-CE1 3.66Å; L355-Y799 HydrophobicContact CB-CE2 4.48Å; L355-Y799 PolarHBondContact O-OH 2.94Å; L355-Y799 VanDerWaalsContact O-OH 3.07Å; N356-Y799 WeakPolarHBondContact CA-OH 3.49Å; N356-Y799 PolarHBondContact N-OH 3.05Å; N356-Y799 VanDerWaalsContact N-OH 3.17Å; N356-Y799 PolarHBondContact OD1-OH 3.22Å; L359-Y799 HydrophobicContact CD1-CD1 4.45Å; L359-Y799 HydrophobicContact CD1-CE1 3.79Å; L359-Y799 HydrophobicContact CD1-CE2 3.88Å; L359-Y799 VanDerWaalsContact CD1-CZ 3.46Å; L359-Y799 WeakPolarHBondContact CD1-OH 3.23Å; L359-Y799 HydrophobicContact CD2-CD2 4.18Å; L359-Y799 HydrophobicContact CD2-CE2 3.84Å; L359-Y799 HydrophobicContact CG-CE2 3.89Å; V781-Y799 HydrophobicContact CG1-CD2 3.8Å; V781-Y799 HydrophobicContact CG1-CE2 3.73Å; G782-Y799 PolarHBondContact O-N 3.29Å; G782-Y799 VanDerWaalsContact O-N 3.1Å; V783-Y799 CarbonylContact C-O 3.54Å; V783-Y799 WeakPolarHBondContact CA-O 3.47Å; G784-Y799 PolarHBondContact N-O 3.47Å; S797-Y799 VanDerWaalsContact CB-O 3.3Å; S797-Y799 WeakPolarHBondContact CB-O 3.37Å; S797-Y799 PolarHBondContact OG-O 3.04Å; Y799-L810 HydrophobicContact CD1-CD1 4.48Å; Y799-L810 HydrophobicContact CG-CD2 4.44Å |
| 800 | A | 90.5 | Very high | 85 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109 | A348 M349 G784 A794 | A348-A800 CarbonylContact C-O 3.52Å; A348-A800 WeakPolarHBondContact CA-O 3.28Å; M349-A800 HydrophobicContact CB-CB 4.33Å; M349-A800 PolarHBondContact N-O 2.69Å; M349-A800 PolarHBondContact O-N 2.67Å; G784-A800 CarbonylContact O-C 3.51Å; G784-A800 VanDerWaalsContact O-CA 3.26Å; G784-A800 WeakPolarHBondContact O-CA 3.46Å; A794-A800 HydrophobicContact CB-CB 4.08Å |
| 801 | I | 93.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 152.5 | 175.4 | 59.8 | 178.8 | 0 | 0 | 0 | 108.9 | A348 I766 V783 G784 I785 S786 Q803 F806 L807 L810 | A348-I801 HydrophobicContact CB-CG2 4.24Å; I766-I801 HydrophobicContact CD1-CD1 4.11Å; V783-I801 HydrophobicContact CG1-CD1 3.71Å; V783-I801 HydrophobicContact CG1-CG1 3.77Å; G784-I801 PolarHBondContact O-N 3.48Å; I785-I801 CarbonylContact C-O 3.53Å; I785-I801 VanDerWaalsContact CA-O 3.25Å; I785-I801 WeakPolarHBondContact CA-O 3.3Å; I785-I801 HydrophobicContact CG1-CG1 4.29Å; S786-I801 PolarHBondContact N-O 2.91Å; I801-Q803 WeakPolarHBondContact CD1-O 3.48Å; I801-F806 HydrophobicContact CB-CB 4.35Å; I801-F806 HydrophobicContact CB-CD2 4.5Å; I801-F806 HydrophobicContact CD1-CB 4.43Å; I801-F806 HydrophobicContact CG2-CB 4.42Å; I801-L807 HydrophobicContact CD1-CB 4.21Å; I801-L810 HydrophobicContact CG2-CD2 4.28Å |
| 802 | A | 90.5 | Very high | 88.3 | Confident | 6 Ų | 6 | 16.8 Ų | 16.8 | 5% | 0.05 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -75.4 | -39.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | D341 T346 I785 F806 | D341-A802 HydrophobicContact CB-CB 3.42Å; D341-A802 VanDerWaalsContact CB-CB 3.42Å; T346-A802 WeakPolarHBondContact OG1-CB 3.38Å; I785-A802 WeakPolarHBondContact CG2-O 3.22Å; A802-F806 HydrophobicContact CB-CD2 4.43Å; A802-F806 HydrophobicContact CB-CE2 3.99Å |
| 803 | Q | 91.6 | Very high | 89.6 | Confident | 20 Ų | 20 | 13.7 Ų | 13.7 | 9% | 0.093 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -136.2 | 149.6 | -173.5 | -62.8 | -175.7 | -3.1 | 0 | 0 | 111.1 | D341 Q630 I801 R805 F806 | D341-Q803 PolarHBondContact OD1-NE2 3.32Å; D341-Q803 PolarHBondContact OD2-NE2 3.33Å; Q630-Q803 VanDerWaalsContact OE1-CA 3.27Å; I801-Q803 WeakPolarHBondContact CD1-O 3.48Å; Q803-R805 HydrophobicContact CB-CG 4.03Å; Q803-R805 PolarHBondContact O-N 2.69Å; Q803-R805 VanDerWaalsContact OE1-CZ 3.22Å; Q803-F806 HydrophobicContact CB-CD2 4.29Å; Q803-F806 HydrophobicContact CB-CE2 4.23Å; Q803-F806 PolarHBondContact O-N 3.37Å |
| 804 | F | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.4 | -179.9 | -173.6 | -89.2 | 0 | 0 | 0 | 113 | T372 L373 V633 T636 I637 I766 I785 F806 L807 | T372-F804 HydrophobicContact CG2-CD2 4.1Å; L373-F804 HydrophobicContact CD2-CD1 4.38Å; L373-F804 HydrophobicContact CD2-CD2 3.86Å; L373-F804 HydrophobicContact CD2-CE1 4.17Å; L373-F804 HydrophobicContact CD2-CE2 3.63Å; L373-F804 HydrophobicContact CD2-CG 4.24Å; L373-F804 HydrophobicContact CD2-CZ 3.8Å; V633-F804 HydrophobicContact CB-CD1 4.42Å; V633-F804 HydrophobicContact CG1-CD1 4.3Å; V633-F804 HydrophobicContact CG1-CE1 4.47Å; V633-F804 HydrophobicContact CG2-CB 3.97Å; V633-F804 HydrophobicContact CG2-CD1 3.92Å; V633-F804 HydrophobicContact CG2-CG 4.2Å; T636-F804 HydrophobicContact CG2-CD1 3.93Å; T636-F804 HydrophobicContact CG2-CE1 3.68Å; I637-F804 HydrophobicContact CD1-CE1 4.43Å; I637-F804 HydrophobicContact CD1-CZ 4.49Å; I637-F804 HydrophobicContact CG1-CE1 3.78Å; I637-F804 HydrophobicContact CG1-CZ 4.11Å; I766-F804 HydrophobicContact CD1-CD2 3.82Å; I766-F804 HydrophobicContact CD1-CE2 4.19Å; I766-F804 HydrophobicContact CG2-CE2 4.05Å; I785-F804 HydrophobicContact CD1-CB 4.3Å; F804-F806 PolarHBondContact O-N 2.92Å; F804-F806 VanDerWaalsContact O-N 3.15Å; F804-L807 HydrophobicContact CE2-CD2 4.08Å; F804-L807 HydrophobicContact CZ-CD2 4.16Å; F804-L807 WeakPolarHBondContact O-CB 3.34Å; F804-L807 PolarHBondContact O-N 3.03Å |
| 805 | R | 94.4 | Very high | 91.5 | Very high | 86 Ų | 86 | 14.1 Ų | 14.1 | 33% | 0.325 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.3 | 179.2 | 59.9 | 172 | 179.1 | 172.5 | -2.3 | 114.4 | D341 T631 T636 Q803 L807 N808 | D341-R805 IonicContact OD1-NH2 3.19Å; D341-R805 PolarHBondContact OD1-NH2 2.89Å; T631-R805 WeakPolarHBondContact O-CB 3.43Å; T636-R805 WeakPolarHBondContact OG1-CA 3.38Å; Q803-R805 HydrophobicContact CB-CG 4.03Å; Q803-R805 PolarHBondContact O-N 2.69Å; Q803-R805 VanDerWaalsContact OE1-CZ 3.22Å; R805-L807 PolarHBondContact O-N 3.43Å; R805-N808 VanDerWaalsContact O-CB 3.24Å; R805-N808 WeakPolarHBondContact O-CB 3.43Å; R805-N808 PolarHBondContact O-N 3.29Å |
| 806 | F | 95.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 10.9 Ų | 10.9 | 5% | 0.048 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -70.3 | -19.1 | 180 | -58.5 | -37.8 | 0 | 0 | 0 | 112.4 | D338 M339 D341 I801 A802 Q803 F804 N808 K809 L810 | D338-F806 WeakPolarHBondContact O-CD1 3.42Å; D338-F806 VanDerWaalsContact O-CE1 3.23Å; D338-F806 WeakPolarHBondContact O-CE1 3.38Å; M339-F806 HydrophobicContact CB-CB 4.25Å; M339-F806 HydrophobicContact CB-CD1 4.3Å; M339-F806 HydrophobicContact CB-CG 4.15Å; M339-F806 HydrophobicContact CG-CB 4.23Å; M339-F806 HydrophobicContact CG-CD1 4.45Å; M339-F806 HydrophobicContact CG-CG 4.47Å; D341-F806 HydrophobicContact CB-CE2 4.03Å; D341-F806 HydrophobicContact CB-CZ 4.25Å; I801-F806 HydrophobicContact CB-CB 4.35Å; I801-F806 HydrophobicContact CB-CD2 4.5Å; I801-F806 HydrophobicContact CD1-CB 4.43Å; I801-F806 HydrophobicContact CG2-CB 4.42Å; A802-F806 HydrophobicContact CB-CD2 4.43Å; A802-F806 HydrophobicContact CB-CE2 3.99Å; Q803-F806 HydrophobicContact CB-CD2 4.29Å; Q803-F806 HydrophobicContact CB-CE2 4.23Å; Q803-F806 PolarHBondContact O-N 3.37Å; F804-F806 PolarHBondContact O-N 2.92Å; F804-F806 VanDerWaalsContact O-N 3.15Å; F806-N808 PolarHBondContact O-N 3.29Å; F806-K809 PolarHBondContact O-N 3.16Å; F806-L810 WeakPolarHBondContact O-CB 3.25Å; F806-L810 PolarHBondContact O-N 2.75Å |
| 807 | L | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57.8 | -32.5 | 172 | -168.5 | 63.5 | 0 | 0 | 0 | 111.9 | I365 L640 L764 I766 V783 I801 F804 R805 L810 L811 | I365-L807 HydrophobicContact CD1-CD2 4.15Å; L640-L807 HydrophobicContact CD1-CD2 4.16Å; L764-L807 HydrophobicContact CD1-CD1 4.21Å; L764-L807 HydrophobicContact CD2-CD1 4.44Å; I766-L807 HydrophobicContact CD1-CD2 4.06Å; V783-L807 HydrophobicContact CG2-CD1 4.25Å; I801-L807 HydrophobicContact CD1-CB 4.21Å; F804-L807 HydrophobicContact CE2-CD2 4.08Å; F804-L807 HydrophobicContact CZ-CD2 4.16Å; F804-L807 WeakPolarHBondContact O-CB 3.34Å; F804-L807 PolarHBondContact O-N 3.03Å; R805-L807 PolarHBondContact O-N 3.43Å; L807-L810 HydrophobicContact CD1-CD2 4.36Å; L807-L810 PolarHBondContact O-N 2.91Å; L807-L811 HydrophobicContact CD1-CD1 3.89Å; L807-L811 HydrophobicContact CD1-CG 4.03Å; L807-L811 HydrophobicContact CD2-CD1 4.48Å; L807-L811 HydrophobicContact CG-CD1 3.86Å; L807-L811 HydrophobicContact CG-CG 4.32Å; L807-L811 WeakPolarHBondContact O-CG 3.12Å; L807-L811 PolarHBondContact O-N 3.34Å |
| 808 | N | 95.1 | Very high | 93.9 | Very high | 16 Ų | 16 | 10.6 Ų | 10.6 | 9% | 0.086 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.8 | -52.3 | 176.7 | -166.2 | 25.4 | 0 | 0 | 0 | 111.4 | T636 N639 R805 F806 L812 | T636-N808 HydrophobicContact CG2-CB 3.84Å; N639-N808 PolarHBondContact ND2-ND2 3.5Å; R805-N808 VanDerWaalsContact O-CB 3.24Å; R805-N808 WeakPolarHBondContact O-CB 3.43Å; R805-N808 PolarHBondContact O-N 3.29Å; F806-N808 PolarHBondContact O-N 3.29Å; N808-L812 VanDerWaalsContact O-CB 3.31Å; N808-L812 WeakPolarHBondContact O-CB 3.35Å; N808-L812 WeakPolarHBondContact O-CG 3.37Å; N808-L812 PolarHBondContact O-N 2.99Å; N808-L812 VanDerWaalsContact O-N 3.09Å; N808-L812 WeakPolarHBondContact OD1-CD1 3.42Å |
| 809 | K | 95.4 | Very high | 94.1 | Very high | 23 Ų | 23 | 10.1 Ų | 10.1 | 10% | 0.1 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -73.7 | -38.9 | -179.8 | -165.4 | 178.6 | -178.1 | -167.4 | 0 | 111.8 | D336 D338 M339 F806 L811 V813 H814 | D336-K809 IonicContact OD1-NZ 3.59Å; D336-K809 PolarHBondContact OD1-NZ 3.47Å; D336-K809 WeakPolarHBondContact OD2-CE 3.08Å; D336-K809 IonicContact OD2-NZ 2.88Å; D336-K809 PolarHBondContact OD2-NZ 3.22Å; D338-K809 HydrophobicContact CB-CD 3.86Å; D338-K809 VanDerWaalsContact CB-NZ 3.29Å; D338-K809 VanDerWaalsContact CG-NZ 3.33Å; D338-K809 IonicContact OD2-NZ 2.63Å; D338-K809 PolarHBondContact OD2-NZ 2.87Å; M339-K809 HydrophobicContact CG-CB 4.38Å; M339-K809 HydrophobicContact CG-CD 4.19Å; M339-K809 HydrophobicContact SD-CB 4.28Å; F806-K809 PolarHBondContact O-N 3.16Å; K809-L811 VanDerWaalsContact C-N 3.34Å; K809-L811 PolarHBondContact O-N 3.29Å; K809-V813 HydrophobicContact CG-CB 4.14Å; K809-V813 HydrophobicContact CG-CG2 3.97Å; K809-V813 VanDerWaalsContact O-CB 3.31Å; K809-V813 WeakPolarHBondContact O-CB 3.23Å; K809-V813 PolarHBondContact O-N 3.31Å; K809-V813 VanDerWaalsContact O-N 3.09Å; K809-H814 PolarHBondContact O-N 2.89Å |
| 810 | L | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -56.8 | -44.8 | 178.5 | -177.3 | 62.4 | 0 | 0 | 0 | 112.1 | I333 M339 L359 Y799 I801 F806 L807 H814 G815 | I333-L810 HydrophobicContact CD1-CD1 4.25Å; I333-L810 HydrophobicContact CG2-CD1 3.92Å; M339-L810 HydrophobicContact SD-CB 4.11Å; L359-L810 HydrophobicContact CD1-CD1 3.76Å; L359-L810 HydrophobicContact CD1-CG 4.02Å; L359-L810 HydrophobicContact CD2-CD2 4.43Å; L359-L810 HydrophobicContact CD2-CG 4.32Å; Y799-L810 HydrophobicContact CD1-CD1 4.48Å; Y799-L810 HydrophobicContact CG-CD2 4.44Å; I801-L810 HydrophobicContact CG2-CD2 4.28Å; F806-L810 WeakPolarHBondContact O-CB 3.25Å; F806-L810 PolarHBondContact O-N 2.75Å; L807-L810 HydrophobicContact CD1-CD2 4.36Å; L807-L810 PolarHBondContact O-N 2.91Å; L810-H814 WeakPolarHBondContact O-CB 3.36Å; L810-G815 PolarHBondContact O-N 2.94Å |
| 811 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -82 | -57.8 | 179.9 | -64.6 | 176 | 0 | 0 | 0 | 112.3 | L359 V362 I365 L640 I645 L764 L807 K809 V813 G815 A816 Y894 | L359-L811 HydrophobicContact CB-CD2 4.14Å; L359-L811 HydrophobicContact CD2-CD2 3.68Å; L359-L811 WeakPolarHBondContact O-CD2 3.09Å; V362-L811 HydrophobicContact CB-CD2 4.36Å; V362-L811 HydrophobicContact CG2-CD2 3.92Å; I365-L811 HydrophobicContact CD1-CD1 3.92Å; L640-L811 HydrophobicContact CD2-CD1 3.85Å; I645-L811 HydrophobicContact CD1-CD1 4.31Å; L764-L811 HydrophobicContact CD1-CD1 4.35Å; L764-L811 HydrophobicContact CD1-CD2 3.85Å; L807-L811 HydrophobicContact CD1-CD1 3.89Å; L807-L811 HydrophobicContact CD1-CG 4.03Å; L807-L811 HydrophobicContact CD2-CD1 4.48Å; L807-L811 HydrophobicContact CG-CD1 3.86Å; L807-L811 HydrophobicContact CG-CG 4.32Å; L807-L811 WeakPolarHBondContact O-CG 3.12Å; L807-L811 PolarHBondContact O-N 3.34Å; K809-L811 VanDerWaalsContact C-N 3.34Å; K809-L811 PolarHBondContact O-N 3.29Å; L811-V813 VanDerWaalsContact C-N 3.29Å; L811-V813 PolarHBondContact O-N 3.32Å; L811-G815 WeakPolarHBondContact O-CA 3.34Å; L811-G815 PolarHBondContact O-N 3.21Å; L811-A816 PolarHBondContact O-N 2.89Å; L811-Y894 HydrophobicContact CB-CE2 4.44Å; L811-Y894 WeakPolarHBondContact O-CE2 3.3Å |
| 812 | L | 95.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -69.5 | -26.4 | -169.1 | -58.8 | -174.8 | 0 | 0 | 0 | 113.4 | N639 A643 N808 A816 P891 Y894 | N639-L812 HydrophobicContact CB-CD1 4.46Å; A643-L812 HydrophobicContact CB-CD2 3.71Å; N808-L812 VanDerWaalsContact O-CB 3.31Å; N808-L812 WeakPolarHBondContact O-CB 3.35Å; N808-L812 WeakPolarHBondContact O-CG 3.37Å; N808-L812 PolarHBondContact O-N 2.99Å; N808-L812 VanDerWaalsContact O-N 3.09Å; N808-L812 WeakPolarHBondContact OD1-CD1 3.42Å; L812-A816 WeakPolarHBondContact O-CB 3.27Å; L812-P891 HydrophobicContact CD1-CB 3.79Å; L812-P891 HydrophobicContact CD1-CG 4.03Å; L812-P891 HydrophobicContact CD2-CB 4.37Å; L812-Y894 HydrophobicContact CD2-CD2 3.93Å; L812-Y894 HydrophobicContact CD2-CG 3.87Å |
| 813 | V | 94.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -106.5 | -68.1 | -179 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | K809 L811 W817 V884 C887 L888 | K809-V813 HydrophobicContact CG-CB 4.14Å; K809-V813 HydrophobicContact CG-CG2 3.97Å; K809-V813 VanDerWaalsContact O-CB 3.31Å; K809-V813 WeakPolarHBondContact O-CB 3.23Å; K809-V813 PolarHBondContact O-N 3.31Å; K809-V813 VanDerWaalsContact O-N 3.09Å; L811-V813 VanDerWaalsContact C-N 3.29Å; L811-V813 PolarHBondContact O-N 3.32Å; V813-W817 HydrophobicContact CG1-CD2 4.01Å; V813-W817 HydrophobicContact CG1-CE3 4.02Å; V813-W817 HydrophobicContact CG1-CH2 4.11Å; V813-W817 HydrophobicContact CG1-CZ2 4.05Å; V813-W817 HydrophobicContact CG1-CZ3 4.08Å; V813-W817 VanDerWaalsContact O-CB 3.25Å; V813-W817 WeakPolarHBondContact O-CB 3.33Å; V813-W817 VanDerWaalsContact O-CG 3.24Å; V813-W817 PolarHBondContact O-N 3.13Å; V813-V884 HydrophobicContact CG1-CG1 4.28Å; V813-V884 HydrophobicContact CG1-CG2 4.07Å; V813-V884 HydrophobicContact CG2-CG1 4.07Å; V813-C887 HydrophobicContact CG2-CB 3.96Å; V813-L888 HydrophobicContact CG2-CD2 3.97Å; V813-L888 HydrophobicContact CG2-CG 3.99Å |
| 814 | H | 95.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 12 Ų | 12 | 6% | 0.06 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -64.7 | -46.9 | -174.6 | -73.2 | -73.4 | 0 | 0 | 0 | 111.9 | I333 D336 M339 K809 L810 W817 N818 | I333-H814 HydrophobicContact CD1-CB 4.45Å; I333-H814 HydrophobicContact CG1-CB 4.2Å; D336-H814 IonicContact OD2-CD2 2.67Å; D336-H814 IonicContact OD2-CE1 3.86Å; D336-H814 IonicContact OD2-NE2 3.74Å; D336-H814 PolarHBondContact OD2-NE2 2.88Å; M339-H814 WeakPolarHBondContact CE-NE2 3.32Å; K809-H814 PolarHBondContact O-N 2.89Å; L810-H814 WeakPolarHBondContact O-CB 3.36Å; H814-W817 PolarHBondContact O-N 2.71Å; H814-N818 WeakPolarHBondContact O-CB 3.48Å; H814-N818 PolarHBondContact O-N 2.79Å; H814-N818 PolarHBondContact O-ND2 3.43Å; H814-N818 VanDerWaalsContact O-ND2 3.16Å |
| 815 | G | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -58.8 | -52.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G360 L810 L811 W817 N818 Y819 | G360-G815 VanDerWaalsContact CA-C 3.41Å; G360-G815 WeakPolarHBondContact CA-O 3.14Å; L810-G815 PolarHBondContact O-N 2.94Å; L811-G815 WeakPolarHBondContact O-CA 3.34Å; L811-G815 PolarHBondContact O-N 3.21Å; G815-W817 VanDerWaalsContact C-N 3.34Å; G815-W817 PolarHBondContact O-N 3.27Å; G815-N818 PolarHBondContact O-N 3.42Å; G815-Y819 WeakPolarHBondContact O-CB 3.15Å; G815-Y819 PolarHBondContact O-N 3.38Å |
| 816 | A | 92.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 7.9 Ų | 7.9 | 2% | 0.017 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L811 L812 N820 Y894 | L811-A816 PolarHBondContact O-N 2.89Å; L812-A816 WeakPolarHBondContact O-CB 3.27Å; A816-N820 WeakPolarHBondContact O-CB 3.4Å; A816-N820 VanDerWaalsContact O-CG 3.25Å; A816-N820 PolarHBondContact O-N 3.34Å; A816-N820 PolarHBondContact O-ND2 3.11Å; A816-Y894 HydrophobicContact CB-CD2 4.3Å |
| 817 | W | 93.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 7.7 Ų | 7.7 | 9% | 0.091 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -68.9 | -47.6 | 176.9 | -75.3 | 1 | 0 | 0 | 0 | 112.1 | V813 H814 G815 Y819 N820 R821 R880 C882 V884 | V813-W817 HydrophobicContact CG1-CD2 4.01Å; V813-W817 HydrophobicContact CG1-CE3 4.02Å; V813-W817 HydrophobicContact CG1-CH2 4.11Å; V813-W817 HydrophobicContact CG1-CZ2 4.05Å; V813-W817 HydrophobicContact CG1-CZ3 4.08Å; V813-W817 VanDerWaalsContact O-CB 3.25Å; V813-W817 WeakPolarHBondContact O-CB 3.33Å; V813-W817 VanDerWaalsContact O-CG 3.24Å; V813-W817 PolarHBondContact O-N 3.13Å; H814-W817 PolarHBondContact O-N 2.71Å; G815-W817 VanDerWaalsContact C-N 3.34Å; G815-W817 PolarHBondContact O-N 3.27Å; W817-Y819 PolarHBondContact O-N 3.28Å; W817-N820 PolarHBondContact O-N 3.16Å; W817-R821 WeakPolarHBondContact O-CB 3.48Å; W817-R821 WeakPolarHBondContact O-CD 3.35Å; W817-R821 WeakPolarHBondContact O-CG 3.48Å; W817-R821 PolarHBondContact O-N 2.99Å; W817-R880 HydrophobicContact CH2-CG 4.45Å; W817-R880 HydrophobicContact CZ2-CG 4.47Å; W817-C882 WeakPolarHBondContact CZ2-O 3.07Å; W817-C882 PolarHBondContact NE1-O 3.47Å; W817-C882 VanDerWaalsContact NE1-O 3.09Å; W817-V884 HydrophobicContact CH2-CG2 3.41Å; W817-V884 VanDerWaalsContact CH2-CG2 3.41Å; W817-V884 HydrophobicContact CZ2-CG2 3.77Å; W817-V884 HydrophobicContact CZ3-CG2 4.34Å |
| 818 | N | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | -177.9 | -68.9 | -18.7 | 0 | 0 | 0 | 111.5 | N356 H814 G815 R821 L822 | N356-N818 HydrophobicContact CB-CB 4.16Å; N356-N818 WeakPolarHBondContact O-CB 3.16Å; H814-N818 WeakPolarHBondContact O-CB 3.48Å; H814-N818 PolarHBondContact O-N 2.79Å; H814-N818 PolarHBondContact O-ND2 3.43Å; H814-N818 VanDerWaalsContact O-ND2 3.16Å; G815-N818 PolarHBondContact O-N 3.42Å; N818-R821 PolarHBondContact O-N 3.26Å; N818-L822 VanDerWaalsContact O-CB 3.28Å; N818-L822 WeakPolarHBondContact O-CB 3.36Å; N818-L822 PolarHBondContact O-N 3.01Å |
| 819 | Y | 93.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 173.5 | 179.6 | -97.9 | 0 | 0 | 0 | 112.1 | V247 E357 Q361 G815 W817 R821 L822 T823 T897 S900 S902 | V247-Y819 HydrophobicContact CG2-CD2 4.07Å; V247-Y819 HydrophobicContact CG2-CE2 3.77Å; E357-Y819 HydrophobicContact CB-CD2 4.48Å; Q361-Y819 HydrophobicContact CG-CD2 3.71Å; Q361-Y819 HydrophobicContact CG-CE2 3.65Å; Q361-Y819 HydrophobicContact CG-CG 4.47Å; G815-Y819 WeakPolarHBondContact O-CB 3.15Å; G815-Y819 PolarHBondContact O-N 3.38Å; W817-Y819 PolarHBondContact O-N 3.28Å; Y819-R821 PolarHBondContact O-N 3.46Å; Y819-L822 PolarHBondContact O-N 2.92Å; Y819-T823 HydrophobicContact CD1-CG2 4.44Å; Y819-T823 HydrophobicContact CD2-CG2 4.22Å; Y819-T823 HydrophobicContact CE1-CG2 4.14Å; Y819-T823 HydrophobicContact CE2-CG2 3.86Å; Y819-T823 HydrophobicContact CG-CG2 4.48Å; Y819-T823 WeakPolarHBondContact O-CB 3.35Å; Y819-T823 WeakPolarHBondContact O-CG2 3.35Å; Y819-T823 PolarHBondContact O-N 3.47Å; Y819-T823 PolarHBondContact O-OG1 3.35Å; Y819-T897 HydrophobicContact CD1-CG2 3.69Å; Y819-T897 HydrophobicContact CE1-CG2 4.26Å; Y819-S900 VanDerWaalsContact OH-CA 3.24Å; Y819-S900 WeakPolarHBondContact OH-CA 3.34Å; Y819-S900 WeakPolarHBondContact OH-CB 3.34Å; Y819-S902 WeakPolarHBondContact CE1-OG 3.36Å |
| 820 | N | 91.9 | Very high | 94.1 | Very high | 15 Ų | 15 | 6.1 Ų | 6.1 | 8% | 0.08 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | -180 | -73.3 | -39 | 0 | 0 | 0 | 112.9 | A816 W817 T823 K824 S881 R1048 | A816-N820 WeakPolarHBondContact O-CB 3.4Å; A816-N820 VanDerWaalsContact O-CG 3.25Å; A816-N820 PolarHBondContact O-N 3.34Å; A816-N820 PolarHBondContact O-ND2 3.11Å; W817-N820 PolarHBondContact O-N 3.16Å; N820-T823 PolarHBondContact O-OG1 2.9Å; N820-T823 VanDerWaalsContact O-OG1 3.08Å; N820-K824 WeakPolarHBondContact O-CG 3.46Å; N820-K824 PolarHBondContact O-N 3.25Å; N820-S881 PolarHBondContact ND2-OG 3.25Å; N820-R1048 PolarHBondContact ND2-NH1 3.48Å; N820-R1048 PolarHBondContact ND2-NH2 3.47Å; N820-R1048 PolarHBondContact OD1-NH1 3.2Å; N820-R1048 VanDerWaalsContact OD1-NH1 3.14Å |
| 821 | R | 93.9 | Very high | 94 | Very high | 12 Ų | 12 | 6.1 Ų | 6.1 | 5% | 0.045 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -64.1 | -48.8 | 178 | -74.5 | 165.8 | -177.9 | 165.1 | 0.2 | 111.5 | W817 N818 Y819 K824 L825 G876 D879 | W817-R821 WeakPolarHBondContact O-CB 3.48Å; W817-R821 WeakPolarHBondContact O-CD 3.35Å; W817-R821 WeakPolarHBondContact O-CG 3.48Å; W817-R821 PolarHBondContact O-N 2.99Å; N818-R821 PolarHBondContact O-N 3.26Å; Y819-R821 PolarHBondContact O-N 3.46Å; R821-K824 PolarHBondContact O-N 2.96Å; R821-L825 WeakPolarHBondContact O-CB 3.4Å; R821-L825 PolarHBondContact O-N 2.83Å; R821-G876 WeakPolarHBondContact CB-O 3.47Å; R821-G876 WeakPolarHBondContact CD-O 3.28Å; R821-D879 HydrophobicContact CG-CB 4.31Å; R821-D879 VanDerWaalsContact CZ-O 3.27Å; R821-D879 PolarHBondContact NE-O 3.25Å; R821-D879 PolarHBondContact NH2-O 2.64Å |
| 822 | L | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -68.5 | -42.9 | -175.2 | -160.6 | 71 | 0 | 0 | 0 | 111.6 | V247 L322 V325 E357 N818 Y819 K824 L825 I826 | V247-L822 HydrophobicContact CG1-CD2 4.44Å; L322-L822 HydrophobicContact CD2-CD1 3.35Å; L322-L822 HydrophobicContact CD2-CG 3.9Å; V325-L822 HydrophobicContact CG1-CD1 4.41Å; E357-L822 HydrophobicContact CB-CB 4.46Å; E357-L822 HydrophobicContact CB-CD2 3.79Å; E357-L822 HydrophobicContact CG-CD2 3.61Å; E357-L822 VanDerWaalsContact OE1-CD2 3.23Å; E357-L822 WeakPolarHBondContact OE1-CD2 3.37Å; E357-L822 WeakPolarHBondContact OE2-CD2 3.48Å; N818-L822 VanDerWaalsContact O-CB 3.28Å; N818-L822 WeakPolarHBondContact O-CB 3.36Å; N818-L822 PolarHBondContact O-N 3.01Å; Y819-L822 PolarHBondContact O-N 2.92Å; L822-K824 PolarHBondContact O-N 3.46Å; L822-L825 PolarHBondContact O-N 3.33Å; L822-I826 HydrophobicContact CG-CD1 4.08Å; L822-I826 WeakPolarHBondContact O-CD1 3.26Å; L822-I826 VanDerWaalsContact O-CG1 3.27Å; L822-I826 WeakPolarHBondContact O-CG1 3.49Å; L822-I826 PolarHBondContact O-N 2.94Å |
| 823 | T | 92.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.012 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 177.7 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | Y819 N820 I826 L827 F903 | Y819-T823 HydrophobicContact CD1-CG2 4.44Å; Y819-T823 HydrophobicContact CD2-CG2 4.22Å; Y819-T823 HydrophobicContact CE1-CG2 4.14Å; Y819-T823 HydrophobicContact CE2-CG2 3.86Å; Y819-T823 HydrophobicContact CG-CG2 4.48Å; Y819-T823 WeakPolarHBondContact O-CB 3.35Å; Y819-T823 WeakPolarHBondContact O-CG2 3.35Å; Y819-T823 PolarHBondContact O-N 3.47Å; Y819-T823 PolarHBondContact O-OG1 3.35Å; N820-T823 PolarHBondContact O-OG1 2.9Å; N820-T823 VanDerWaalsContact O-OG1 3.08Å; T823-I826 PolarHBondContact O-N 3.34Å; T823-L827 VanDerWaalsContact O-CG 3.3Å; T823-L827 WeakPolarHBondContact O-CG 3.3Å; T823-L827 PolarHBondContact O-N 3.3Å; T823-L827 VanDerWaalsContact O-N 3.11Å; T823-F903 HydrophobicContact CG2-CB 3.51Å; T823-F903 HydrophobicContact CG2-CD1 4.45Å; T823-F903 HydrophobicContact CG2-CD2 4.06Å; T823-F903 HydrophobicContact CG2-CG 3.79Å |
| 824 | K | 92.7 | Very high | 93.8 | Very high | 42 Ų | 42 | 6.5 Ų | 6.5 | 18% | 0.183 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 172.3 | -75.2 | -176.8 | -178.2 | -173.6 | 0 | 112.6 | N820 R821 L822 I826 L827 Y828 D879 E966 T968 | N820-K824 WeakPolarHBondContact O-CG 3.46Å; N820-K824 PolarHBondContact O-N 3.25Å; R821-K824 PolarHBondContact O-N 2.96Å; L822-K824 PolarHBondContact O-N 3.46Å; K824-I826 PolarHBondContact O-N 2.95Å; K824-L827 PolarHBondContact O-N 3.01Å; K824-Y828 VanDerWaalsContact O-CB 3.22Å; K824-Y828 WeakPolarHBondContact O-CB 3.36Å; K824-Y828 PolarHBondContact O-N 2.67Å; K824-D879 IonicContact NZ-OD2 3.09Å; K824-D879 PolarHBondContact NZ-OD2 3.14Å; K824-E966 PolarHBondContact NZ-O 2.97Å; K824-E966 VanDerWaalsContact NZ-O 3.1Å; K824-T968 PolarHBondContact NZ-OG1 3.04Å |
| 825 | L | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -58 | -46.9 | 178.2 | 179 | 165.4 | 0 | 0 | 0 | 111.4 | L318 L322 V325 R821 L822 S829 P872 | L318-L825 HydrophobicContact CD1-CD2 4.03Å; L322-L825 HydrophobicContact CD2-CD2 3.7Å; L322-L825 HydrophobicContact CG-CD2 4.48Å; V325-L825 HydrophobicContact CB-CD1 4.23Å; V325-L825 HydrophobicContact CG1-CD1 4.21Å; V325-L825 HydrophobicContact CG2-CD1 3.73Å; R821-L825 WeakPolarHBondContact O-CB 3.4Å; R821-L825 PolarHBondContact O-N 2.83Å; L822-L825 PolarHBondContact O-N 3.33Å; L825-S829 VanDerWaalsContact O-CB 3.26Å; L825-S829 WeakPolarHBondContact O-CB 3.41Å; L825-S829 PolarHBondContact O-N 2.93Å; L825-S829 PolarHBondContact O-OG 3.39Å; L825-P872 VanDerWaalsContact CD1-O 3.32Å; L825-P872 WeakPolarHBondContact CD1-O 3.35Å; L825-P872 HydrophobicContact CG-CB 4.1Å |
| 826 | I | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -62.3 | -52.2 | -179.5 | -67.1 | 160.7 | 0 | 0 | 0 | 110.4 | V247 T251 L318 L322 L822 T823 K824 Y828 S829 F830 F903 | V247-I826 HydrophobicContact CG1-CD1 3.63Å; T251-I826 HydrophobicContact CG2-CG2 4.06Å; L318-I826 HydrophobicContact CD1-CG1 4.44Å; L322-I826 HydrophobicContact CD1-CG1 4.38Å; L322-I826 HydrophobicContact CD2-CD1 4.1Å; L322-I826 HydrophobicContact CD2-CG1 3.66Å; L822-I826 HydrophobicContact CG-CD1 4.08Å; L822-I826 WeakPolarHBondContact O-CD1 3.26Å; L822-I826 VanDerWaalsContact O-CG1 3.27Å; L822-I826 WeakPolarHBondContact O-CG1 3.49Å; L822-I826 PolarHBondContact O-N 2.94Å; T823-I826 PolarHBondContact O-N 3.34Å; K824-I826 PolarHBondContact O-N 2.95Å; I826-Y828 PolarHBondContact O-N 3.38Å; I826-S829 PolarHBondContact O-N 2.72Å; I826-F830 HydrophobicContact CG2-CD2 3.87Å; I826-F830 HydrophobicContact CG2-CE2 3.37Å; I826-F830 HydrophobicContact CG2-CZ 4.11Å; I826-F830 WeakPolarHBondContact O-CD2 3.42Å; I826-F830 PolarHBondContact O-N 3.48Å; I826-F903 HydrophobicContact CB-CE2 4.22Å; I826-F903 HydrophobicContact CD1-CZ 4.38Å; I826-F903 HydrophobicContact CG2-CE2 3.85Å; I826-F903 HydrophobicContact CG2-CZ 3.93Å |
| 827 | L | 94 | Very high | 93.6 | Very high | 7 Ų | 7 | 5.9 Ų | 5.9 | 4% | 0.037 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | -178.9 | -69.3 | 169.5 | 0 | 0 | 0 | 111.9 | T823 K824 S829 F830 Y831 F903 V907 F908 W911 | T823-L827 VanDerWaalsContact O-CG 3.3Å; T823-L827 WeakPolarHBondContact O-CG 3.3Å; T823-L827 PolarHBondContact O-N 3.3Å; T823-L827 VanDerWaalsContact O-N 3.11Å; K824-L827 PolarHBondContact O-N 3.01Å; L827-S829 VanDerWaalsContact C-N 3.34Å; L827-S829 PolarHBondContact O-N 3.03Å; L827-F830 PolarHBondContact O-N 3.24Å; L827-Y831 WeakPolarHBondContact O-CB 3.3Å; L827-Y831 PolarHBondContact O-N 3.11Å; L827-F903 HydrophobicContact CD1-CD2 4.14Å; L827-F903 HydrophobicContact CD2-CD2 4.17Å; L827-F903 HydrophobicContact CD2-CE2 4.04Å; L827-F903 HydrophobicContact CG-CD2 4Å; L827-F903 HydrophobicContact CG-CE2 4.04Å; L827-V907 HydrophobicContact CD1-CG1 3.75Å; L827-F908 HydrophobicContact CD2-CB 4.33Å; L827-F908 HydrophobicContact CD2-CD2 4.4Å; L827-W911 HydrophobicContact CB-CD2 4.07Å; L827-W911 HydrophobicContact CB-CG 4.17Å; L827-W911 HydrophobicContact CB-CZ2 4.37Å; L827-W911 HydrophobicContact CD2-CG 4.42Å |
| 828 | Y | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 0% | 0.004 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.6 | 175.4 | -93.5 | 0 | 0 | 0 | 112.1 | K824 I826 Y831 K832 P871 P872 L875 V959 A963 | K824-Y828 VanDerWaalsContact O-CB 3.22Å; K824-Y828 WeakPolarHBondContact O-CB 3.36Å; K824-Y828 PolarHBondContact O-N 2.67Å; I826-Y828 PolarHBondContact O-N 3.38Å; Y828-Y831 HydrophobicContact CD2-CD1 4.3Å; Y828-Y831 HydrophobicContact CE2-CD1 4.43Å; Y828-Y831 PolarHBondContact O-N 3.09Å; Y828-K832 HydrophobicContact CD1-CD 4.15Å; Y828-K832 HydrophobicContact CE1-CB 4.45Å; Y828-K832 HydrophobicContact CE1-CD 3.68Å; Y828-K832 PolarHBondContact O-N 3.19Å; Y828-P871 HydrophobicContact CE1-CB 4.4Å; Y828-P872 HydrophobicContact CD1-CB 3.92Å; Y828-P872 HydrophobicContact CD1-CG 4.36Å; Y828-P872 HydrophobicContact CE1-CB 4.18Å; Y828-P872 HydrophobicContact CE1-CG 4.15Å; Y828-L875 HydrophobicContact CD1-CD1 4.31Å; Y828-L875 HydrophobicContact CD2-CD1 4.43Å; Y828-L875 HydrophobicContact CG-CD1 4.08Å; Y828-V959 HydrophobicContact CE2-CG1 4.35Å; Y828-V959 WeakPolarHBondContact OH-CG1 3.33Å; Y828-V959 PolarHBondContact OH-O 2.93Å; Y828-A963 HydrophobicContact CD2-CB 4.38Å; Y828-A963 HydrophobicContact CE1-CB 4.44Å; Y828-A963 HydrophobicContact CE2-CB 3.6Å |
| 829 | S | 93.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 5.4 Ų | 5.4 | 3% | 0.028 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | 178.5 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | L825 I826 L827 K832 N833 | L825-S829 VanDerWaalsContact O-CB 3.26Å; L825-S829 WeakPolarHBondContact O-CB 3.41Å; L825-S829 PolarHBondContact O-N 2.93Å; L825-S829 PolarHBondContact O-OG 3.39Å; I826-S829 PolarHBondContact O-N 2.72Å; L827-S829 VanDerWaalsContact C-N 3.34Å; L827-S829 PolarHBondContact O-N 3.03Å; S829-K832 WeakPolarHBondContact O-CG 3.36Å; S829-N833 PolarHBondContact O-ND2 3.32Å |
| 830 | F | 93.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 0% | 0.004 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.5 | -48.6 | 170.5 | -67.6 | -44.8 | 0 | 0 | 0 | 111.4 | T251 I255 L258 P315 L318 I826 L827 K832 N833 V834 F908 I912 | T251-F830 HydrophobicContact CG2-CE2 4.42Å; T251-F830 HydrophobicContact CG2-CZ 3.99Å; I255-F830 HydrophobicContact CG1-CE1 4.02Å; I255-F830 HydrophobicContact CG1-CZ 3.94Å; L258-F830 HydrophobicContact CD1-CB 4.4Å; L258-F830 HydrophobicContact CD1-CD1 3.28Å; L258-F830 HydrophobicContact CD1-CE1 3.59Å; L258-F830 HydrophobicContact CD1-CG 3.93Å; L258-F830 HydrophobicContact CD1-CZ 4.43Å; P315-F830 HydrophobicContact CG-CD1 3.84Å; P315-F830 HydrophobicContact CG-CE1 3.85Å; L318-F830 HydrophobicContact CD2-CD1 4.47Å; L318-F830 HydrophobicContact CD2-CE1 3.66Å; L318-F830 HydrophobicContact CD2-CZ 3.74Å; I826-F830 HydrophobicContact CG2-CD2 3.87Å; I826-F830 HydrophobicContact CG2-CE2 3.37Å; I826-F830 HydrophobicContact CG2-CZ 4.11Å; I826-F830 WeakPolarHBondContact O-CD2 3.42Å; I826-F830 PolarHBondContact O-N 3.48Å; L827-F830 PolarHBondContact O-N 3.24Å; F830-K832 PolarHBondContact O-N 2.75Å; F830-N833 PolarHBondContact O-N 3.43Å; F830-V834 WeakPolarHBondContact O-CG2 3.4Å; F830-V834 PolarHBondContact O-N 3.27Å; F830-F908 HydrophobicContact CD2-CD2 4.18Å; F830-F908 AromaticContact CD2-CE2 3.79Å; F830-F908 HydrophobicContact CD2-CE2 3.79Å; F830-F908 HydrophobicContact CE2-CE2 4.2Å; F830-F908 HydrophobicContact CG-CE2 4.3Å; F830-I912 HydrophobicContact CB-CD1 4.44Å |
| 831 | Y | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -54.7 | -49.1 | 178.9 | 160.7 | -91.2 | 0 | 0 | 0 | 112.8 | L827 Y828 N833 C835 W911 N914 S915 H918 V959 K962 | L827-Y831 WeakPolarHBondContact O-CB 3.3Å; L827-Y831 PolarHBondContact O-N 3.11Å; Y828-Y831 HydrophobicContact CD2-CD1 4.3Å; Y828-Y831 HydrophobicContact CE2-CD1 4.43Å; Y828-Y831 PolarHBondContact O-N 3.09Å; Y831-N833 VanDerWaalsContact C-N 3.29Å; Y831-N833 PolarHBondContact O-N 3.1Å; Y831-C835 WeakPolarHBondContact O-CB 3.45Å; Y831-C835 PolarHBondContact O-N 2.71Å; Y831-W911 HydrophobicContact CD1-CZ3 4.5Å; Y831-W911 HydrophobicContact CD2-CE3 4.26Å; Y831-W911 AromaticContact CG-CE3 3.95Å; Y831-W911 HydrophobicContact CG-CE3 3.95Å; Y831-W911 HydrophobicContact CG-CZ3 4.26Å; Y831-N914 HydrophobicContact CD2-CB 4.49Å; Y831-N914 HydrophobicContact CE2-CB 4.42Å; Y831-S915 WeakPolarHBondContact O-CB 3.38Å; Y831-H918 AromaticContact CZ-ND1 3.95Å; Y831-H918 PolarHBondContact OH-CE1 3.25Å; Y831-H918 PolarHBondContact OH-ND1 2.91Å; Y831-V959 HydrophobicContact CE1-CG2 4.31Å; Y831-K962 HydrophobicContact CD1-CG 4.42Å; Y831-K962 HydrophobicContact CE1-CB 4.23Å; Y831-K962 HydrophobicContact CE1-CG 3.64Å |
| 832 | K | 94.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 1% | 0.009 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66.1 | -31.6 | -175.9 | 78.6 | -174 | -172 | 76.9 | 0 | 113.2 | Y828 S829 F830 L836 Y863 N864 T868 V959 | Y828-K832 HydrophobicContact CD1-CD 4.15Å; Y828-K832 HydrophobicContact CE1-CB 4.45Å; Y828-K832 HydrophobicContact CE1-CD 3.68Å; Y828-K832 PolarHBondContact O-N 3.19Å; S829-K832 WeakPolarHBondContact O-CG 3.36Å; F830-K832 PolarHBondContact O-N 2.75Å; K832-L836 PolarHBondContact O-N 2.97Å; K832-Y863 WeakPolarHBondContact O-CE1 3.35Å; K832-Y863 PolarHBondContact O-OH 2.98Å; K832-N864 PolarHBondContact NZ-OD1 3.28Å; K832-T868 PolarHBondContact NZ-OG1 3.03Å; K832-V959 HydrophobicContact CB-CG1 3.62Å |
| 833 | N | 93 | Very high | 93.6 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -76.8 | -51.6 | 179.1 | -82.8 | -89.3 | 0 | 0 | 0 | 110.2 | T312 P315 S829 F830 Y831 C835 L836 Y837 N864 | T312-N833 PolarHBondContact O-OD1 2.87Å; P315-N833 WeakPolarHBondContact CB-ND2 3.49Å; S829-N833 PolarHBondContact O-ND2 3.32Å; F830-N833 PolarHBondContact O-N 3.43Å; Y831-N833 VanDerWaalsContact C-N 3.29Å; Y831-N833 PolarHBondContact O-N 3.1Å; N833-C835 PolarHBondContact O-N 3.21Å; N833-L836 PolarHBondContact O-N 3.5Å; N833-Y837 HydrophobicContact CB-CD2 4.35Å; N833-Y837 WeakPolarHBondContact O-CD2 3.5Å; N833-Y837 PolarHBondContact O-N 2.94Å; N833-N864 PolarHBondContact ND2-OD1 2.94Å; N833-N864 VanDerWaalsContact OD1-CG 3.3Å; N833-N864 PolarHBondContact OD1-ND2 2.74Å; N833-N864 PolarHBondContact OD1-OD1 2.72Å |
| 834 | V | 94 | Very high | 93.5 | Very high | 11 Ų | 11 | 8.5 Ų | 8.5 | 7% | 0.067 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.6 | -39.3 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L258 I313 F830 L836 L838 I912 S915 | L258-V834 HydrophobicContact CD2-CG2 4.11Å; I313-V834 HydrophobicContact CG2-CG2 4.25Å; F830-V834 WeakPolarHBondContact O-CG2 3.4Å; F830-V834 PolarHBondContact O-N 3.27Å; V834-L836 PolarHBondContact O-N 3.42Å; V834-L838 WeakPolarHBondContact O-CB 3.45Å; V834-L838 PolarHBondContact O-N 3.07Å; V834-I912 HydrophobicContact CG2-CD1 4.03Å; V834-S915 WeakPolarHBondContact CB-OG 3.43Å; V834-S915 WeakPolarHBondContact CG1-OG 3.2Å |
| 835 | C | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 178.6 | -171.7 | 0 | 0 | 0 | 0 | 113.5 | Y831 N833 I839 S919 | Y831-C835 WeakPolarHBondContact O-CB 3.45Å; Y831-C835 PolarHBondContact O-N 2.71Å; N833-C835 PolarHBondContact O-N 3.21Å; C835-I839 WeakPolarHBondContact O-CG1 3.05Å; C835-S919 WeakPolarHBondContact O-CB 3.26Å |
| 836 | L | 92.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -74.8 | -46 | 179.3 | -179 | 73.1 | 0 | 0 | 0 | 111.5 | K832 N833 V834 I839 F855 Y863 Y952 V955 | K832-L836 PolarHBondContact O-N 2.97Å; N833-L836 PolarHBondContact O-N 3.5Å; V834-L836 PolarHBondContact O-N 3.42Å; L836-I839 WeakPolarHBondContact O-CB 3.45Å; L836-I839 PolarHBondContact O-N 2.83Å; L836-F855 HydrophobicContact CD1-CD2 4.16Å; L836-F855 HydrophobicContact CD1-CE2 3.49Å; L836-F855 VanDerWaalsContact CD1-CE2 3.49Å; L836-F855 HydrophobicContact CD1-CZ 3.73Å; L836-F855 HydrophobicContact CG-CE2 4.04Å; L836-Y863 HydrophobicContact CB-CD1 4.47Å; L836-Y863 HydrophobicContact CB-CE1 3.94Å; L836-Y863 HydrophobicContact CD2-CD1 3.42Å; L836-Y863 VanDerWaalsContact CD2-CD1 3.42Å; L836-Y863 HydrophobicContact CD2-CD2 3.8Å; L836-Y863 HydrophobicContact CD2-CE1 3.75Å; L836-Y863 HydrophobicContact CD2-CE2 4.11Å; L836-Y863 HydrophobicContact CD2-CG 3.43Å; L836-Y863 VanDerWaalsContact CD2-CG 3.43Å; L836-Y863 HydrophobicContact CG-CE1 4.44Å; L836-Y952 HydrophobicContact CD1-CD2 3.91Å; L836-Y952 HydrophobicContact CD1-CE2 4.06Å; L836-Y952 HydrophobicContact CD2-CE2 4.2Å; L836-V955 HydrophobicContact CB-CG1 4.3Å; L836-V955 HydrophobicContact CD1-CB 4.35Å; L836-V955 HydrophobicContact CD1-CG1 3.88Å; L836-V955 HydrophobicContact CD1-CG2 4.41Å |
| 837 | Y | 90.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -78.9 | -24.9 | -169.8 | -66.1 | -66 | 0 | 0 | 0 | 113.2 | T312 N833 I839 Q840 I860 | T312-Y837 VanDerWaalsContact C-CD2 3.49Å; T312-Y837 WeakPolarHBondContact CB-OH 3.42Å; T312-Y837 HydrophobicContact CG2-CE1 4.25Å; T312-Y837 HydrophobicContact CG2-CE2 4.38Å; T312-Y837 WeakPolarHBondContact O-CD2 3.16Å; T312-Y837 VanDerWaalsContact O-CE2 3.28Å; T312-Y837 WeakPolarHBondContact O-CE2 3.47Å; T312-Y837 WeakPolarHBondContact OG1-CD1 3.49Å; T312-Y837 WeakPolarHBondContact OG1-CE1 3.48Å; T312-Y837 WeakPolarHBondContact OG1-CE2 3.47Å; N833-Y837 HydrophobicContact CB-CD2 4.35Å; N833-Y837 WeakPolarHBondContact O-CD2 3.5Å; N833-Y837 PolarHBondContact O-N 2.94Å; Y837-I839 PolarHBondContact O-N 3.48Å; Y837-Q840 WeakPolarHBondContact O-CB 3.22Å; Y837-Q840 PolarHBondContact O-N 3.11Å; Y837-I860 HydrophobicContact CE1-CG2 3.76Å; Y837-I860 PolarHBondContact OH-O 3.11Å |
| 838 | L | 93.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 8% | 0.079 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.7 | -20.3 | 171.5 | -160.1 | 68.2 | 0 | 0 | 0 | 112.6 | L265 V834 Q840 F841 W842 I916 S919 | L265-L838 HydrophobicContact CD1-CD1 4.08Å; L265-L838 HydrophobicContact CD2-CD1 4.44Å; V834-L838 WeakPolarHBondContact O-CB 3.45Å; V834-L838 PolarHBondContact O-N 3.07Å; L838-Q840 VanDerWaalsContact C-N 3.26Å; L838-Q840 PolarHBondContact O-N 3.5Å; L838-F841 HydrophobicContact CD1-CB 4.01Å; L838-F841 HydrophobicContact CD1-CD1 4.13Å; L838-F841 HydrophobicContact CD1-CG 4.24Å; L838-F841 WeakPolarHBondContact O-CB 2.96Å; L838-F841 PolarHBondContact O-N 2.94Å; L838-F841 VanDerWaalsContact O-N 3.1Å; L838-W842 HydrophobicContact CD2-CZ2 3.92Å; L838-W842 HydrophobicContact CG-CZ2 4.26Å; L838-W842 VanDerWaalsContact O-CD1 3.22Å; L838-W842 PolarHBondContact O-N 3.31Å; L838-I916 HydrophobicContact CD2-CB 4.01Å; L838-I916 HydrophobicContact CD2-CG1 3.67Å; L838-I916 HydrophobicContact CD2-CG2 3.96Å; L838-S919 WeakPolarHBondContact CD2-OG 3.43Å |
| 839 | I | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63 | -35.8 | 171.8 | -65.5 | 172.3 | 0 | 0 | 0 | 111.4 | C835 L836 Y837 F841 W842 F843 F855 L922 F923 V951 V955 | C835-I839 WeakPolarHBondContact O-CG1 3.05Å; L836-I839 WeakPolarHBondContact O-CB 3.45Å; L836-I839 PolarHBondContact O-N 2.83Å; Y837-I839 PolarHBondContact O-N 3.48Å; I839-F841 VanDerWaalsContact C-N 3.26Å; I839-F841 PolarHBondContact O-N 3.47Å; I839-W842 PolarHBondContact O-N 3.23Å; I839-F843 PolarHBondContact O-N 3.02Å; I839-F855 HydrophobicContact CB-CE2 4.47Å; I839-F855 HydrophobicContact CB-CZ 4.32Å; I839-F855 HydrophobicContact CD1-CZ 4.46Å; I839-F855 HydrophobicContact CG2-CE2 4.31Å; I839-F855 HydrophobicContact CG2-CZ 3.85Å; I839-L922 HydrophobicContact CD1-CB 4.2Å; I839-F923 HydrophobicContact CG1-CB 4.35Å; I839-F923 HydrophobicContact CG2-CB 4.08Å; I839-F923 HydrophobicContact CG2-CD2 3.57Å; I839-F923 HydrophobicContact CG2-CE2 4.37Å; I839-F923 HydrophobicContact CG2-CG 4.11Å; I839-V951 HydrophobicContact CD1-CG1 4.01Å; I839-V951 HydrophobicContact CG2-CG1 3.98Å; I839-V955 HydrophobicContact CD1-CG2 3.27Å |
| 840 | Q | 91.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.6 | -32.8 | 175.1 | -59.8 | -167.1 | 57 | 0 | 0 | 111.5 | Y837 L838 F843 A844 F855 | Y837-Q840 WeakPolarHBondContact O-CB 3.22Å; Y837-Q840 PolarHBondContact O-N 3.11Å; L838-Q840 VanDerWaalsContact C-N 3.26Å; L838-Q840 PolarHBondContact O-N 3.5Å; Q840-F843 PolarHBondContact O-N 3.16Å; Q840-A844 WeakPolarHBondContact O-CB 3.37Å; Q840-A844 PolarHBondContact O-N 3.34Å; Q840-F855 HydrophobicContact CG-CD2 4.36Å; Q840-F855 HydrophobicContact CG-CE2 4.31Å |
| 841 | F | 93.3 | Very high | 91.8 | Very high | 21 Ų | 21 | 19.1 Ų | 19.1 | 9% | 0.092 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 172 | 175.3 | -97.3 | 0 | 0 | 0 | 111.8 | L265 F268 T269 Y310 L838 I839 F843 A844 I845 | L265-F841 HydrophobicContact CD2-CD2 3.79Å; L265-F841 HydrophobicContact CD2-CE2 3.77Å; L265-F841 HydrophobicContact CD2-CG 4.18Å; L265-F841 HydrophobicContact CD2-CZ 4.17Å; F268-F841 AromaticContact CD1-CE2 3.69Å; F268-F841 HydrophobicContact CD1-CE2 3.69Å; F268-F841 AromaticContact CD1-CZ 3.92Å; F268-F841 HydrophobicContact CD1-CZ 3.92Å; F268-F841 HydrophobicContact CE1-CE2 4.06Å; F268-F841 AromaticContact CE1-CZ 3.89Å; F268-F841 HydrophobicContact CE1-CZ 3.89Å; T269-F841 HydrophobicContact CG2-CD2 3.75Å; T269-F841 HydrophobicContact CG2-CE2 3.79Å; Y310-F841 HydrophobicContact CE1-CB 3.78Å; Y310-F841 WeakPolarHBondContact OH-CA 3.33Å; L838-F841 HydrophobicContact CD1-CB 4.01Å; L838-F841 HydrophobicContact CD1-CD1 4.13Å; L838-F841 HydrophobicContact CD1-CG 4.24Å; L838-F841 WeakPolarHBondContact O-CB 2.96Å; L838-F841 PolarHBondContact O-N 2.94Å; L838-F841 VanDerWaalsContact O-N 3.1Å; I839-F841 VanDerWaalsContact C-N 3.26Å; I839-F841 PolarHBondContact O-N 3.47Å; F841-F843 VanDerWaalsContact C-N 3.28Å; F841-F843 PolarHBondContact O-N 2.88Å; F841-A844 WeakPolarHBondContact O-CB 3.3Å; F841-A844 PolarHBondContact O-N 2.96Å; F841-I845 HydrophobicContact CE1-CD1 4.24Å; F841-I845 PolarHBondContact O-N 3.11Å |
| 842 | W | 94.1 | Very high | 91.5 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 18% | 0.178 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 174.8 | -58 | 132.5 | 0 | 0 | 0 | 112.2 | L838 I839 I845 I916 S919 F923 | L838-W842 HydrophobicContact CD2-CZ2 3.92Å; L838-W842 HydrophobicContact CG-CZ2 4.26Å; L838-W842 VanDerWaalsContact O-CD1 3.22Å; L838-W842 PolarHBondContact O-N 3.31Å; I839-W842 PolarHBondContact O-N 3.23Å; W842-I845 HydrophobicContact CE3-CD1 3.92Å; W842-I845 HydrophobicContact CZ3-CD1 4.31Å; W842-I845 WeakPolarHBondContact O-CB 3.46Å; W842-I845 PolarHBondContact O-N 3Å; W842-I916 HydrophobicContact CZ2-CG2 4.31Å; W842-S919 PolarHBondContact NE1-OG 2.97Å; W842-S919 VanDerWaalsContact NE1-OG 3.09Å; W842-F923 HydrophobicContact CB-CB 4.36Å; W842-F923 HydrophobicContact CB-CD1 3.29Å; W842-F923 HydrophobicContact CB-CE1 3.61Å; W842-F923 HydrophobicContact CB-CG 3.85Å; W842-F923 HydrophobicContact CB-CZ 4.4Å; W842-F923 HydrophobicContact CG-CD1 4.17Å |
| 843 | F | 93.5 | Very high | 91.4 | Very high | 21 Ų | 21 | 24.7 Ų | 24.7 | 9% | 0.092 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.2 | -35.2 | 174.7 | -179.6 | -108.1 | 0 | 0 | 0 | 113.5 | I839 Q840 F841 I845 L846 S847 Q852 V854 F923 L944 | I839-F843 PolarHBondContact O-N 3.02Å; Q840-F843 PolarHBondContact O-N 3.16Å; F841-F843 VanDerWaalsContact C-N 3.28Å; F841-F843 PolarHBondContact O-N 2.88Å; F843-I845 PolarHBondContact O-N 3.24Å; F843-L846 WeakPolarHBondContact O-CA 3.27Å; F843-L846 WeakPolarHBondContact O-CB 3.36Å; F843-L846 PolarHBondContact O-N 3.29Å; F843-S847 PolarHBondContact O-N 3.12Å; F843-Q852 WeakPolarHBondContact CD1-O 3.24Å; F843-Q852 HydrophobicContact CE1-CB 3.95Å; F843-Q852 HydrophobicContact CE1-CG 3.74Å; F843-Q852 WeakPolarHBondContact CE1-O 3.21Å; F843-Q852 HydrophobicContact CZ-CG 4.21Å; F843-V854 HydrophobicContact CB-CG2 3.26Å; F843-V854 HydrophobicContact CD1-CG2 3.21Å; F843-V854 HydrophobicContact CD2-CG2 3.55Å; F843-V854 HydrophobicContact CE1-CG2 3.82Å; F843-V854 HydrophobicContact CE2-CG2 4.13Å; F843-V854 HydrophobicContact CG-CG2 3.03Å; F843-V854 HydrophobicContact CZ-CG2 4.24Å; F843-F923 HydrophobicContact CB-CE2 3.86Å; F843-F923 HydrophobicContact CB-CZ 3.79Å; F843-F923 HydrophobicContact CD2-CE2 4.21Å; F843-F923 HydrophobicContact CD2-CZ 4.08Å; F843-F923 HydrophobicContact CG-CZ 4.46Å; F843-L944 HydrophobicContact CE2-CD1 3.54Å; F843-L944 HydrophobicContact CZ-CD1 3.64Å; F843-L944 HydrophobicContact CZ-CD2 3.88Å; F843-L944 HydrophobicContact CZ-CG 4.42Å |
| 844 | A | 92.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.5 | -32.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q840 F841 L846 S847 G848 F849 | Q840-A844 WeakPolarHBondContact O-CB 3.37Å; Q840-A844 PolarHBondContact O-N 3.34Å; F841-A844 WeakPolarHBondContact O-CB 3.3Å; F841-A844 PolarHBondContact O-N 2.96Å; A844-L846 VanDerWaalsContact C-N 3.26Å; A844-L846 PolarHBondContact O-N 3.48Å; A844-S847 PolarHBondContact O-N 2.92Å; A844-G848 PolarHBondContact O-N 3.42Å; A844-F849 HydrophobicContact CB-CD1 4.03Å; A844-F849 WeakPolarHBondContact O-CA 3.49Å; A844-F849 PolarHBondContact O-N 2.98Å |
| 845 | I | 92.2 | Very high | 91.1 | Very high | 64 Ų | 64 | 24.4 Ų | 24.4 | 33% | 0.328 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 174.4 | -60.1 | 171.7 | 0 | 0 | 0 | 111.3 | F841 W842 F843 F849 | F841-I845 HydrophobicContact CE1-CD1 4.24Å; F841-I845 PolarHBondContact O-N 3.11Å; W842-I845 HydrophobicContact CE3-CD1 3.92Å; W842-I845 HydrophobicContact CZ3-CD1 4.31Å; W842-I845 WeakPolarHBondContact O-CB 3.46Å; W842-I845 PolarHBondContact O-N 3Å; F843-I845 PolarHBondContact O-N 3.24Å; I845-F849 HydrophobicContact CB-CZ 4.31Å; I845-F849 HydrophobicContact CG1-CE1 3.98Å; I845-F849 HydrophobicContact CG1-CZ 3.97Å |
| 846 | L | 90.6 | Very high | 90.8 | Very high | 80 Ų | 80 | 25.2 Ų | 25.2 | 42% | 0.419 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -84.6 | -32.1 | -179.5 | -57.2 | 178.7 | 0 | 0 | 0 | 112.8 | F843 A844 G848 F923 W924 L927 | F843-L846 WeakPolarHBondContact O-CA 3.27Å; F843-L846 WeakPolarHBondContact O-CB 3.36Å; F843-L846 PolarHBondContact O-N 3.29Å; A844-L846 VanDerWaalsContact C-N 3.26Å; A844-L846 PolarHBondContact O-N 3.48Å; L846-G848 PolarHBondContact O-N 3.19Å; L846-F923 HydrophobicContact CD1-CE1 3.88Å; L846-F923 HydrophobicContact CD1-CZ 3.71Å; L846-W924 HydrophobicContact CD1-CZ3 4.47Å; L846-W924 HydrophobicContact CD2-CH2 4.08Å; L846-W924 HydrophobicContact CD2-CZ3 4.23Å; L846-W924 HydrophobicContact CG-CH2 4.46Å; L846-L927 HydrophobicContact CD1-CD1 4.03Å; L846-L927 HydrophobicContact CD1-CD2 3.37Å; L846-L927 HydrophobicContact CD1-CG 4.35Å |
| 847 | S | 89.7 | Confident | 90.4 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 22% | 0.217 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7.1 | -177.7 | 79.6 | 0 | 0 | 0 | 0 | 113.6 | F843 A844 S850 | F843-S847 PolarHBondContact O-N 3.12Å; A844-S847 PolarHBondContact O-N 2.92Å; S847-S850 PolarHBondContact O-OG 3.44Å; S847-S850 PolarHBondContact OG-OG 2.93Å |
| 848 | G | 87.3 | Confident | 90 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 29.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A844 L846 S850 | A844-G848 PolarHBondContact O-N 3.42Å; L846-G848 PolarHBondContact O-N 3.19Å; G848-S850 PolarHBondContact O-N 3.11Å |
| 849 | F | 89.9 | Confident | 89.6 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 26.1 | -179.6 | -54.1 | -85 | 0 | 0 | 0 | 114.7 | F268 T269 A272 N273 A844 I845 G851 | F268-F849 HydrophobicContact CE1-CE1 4.14Å; F268-F849 HydrophobicContact CE1-CZ 4.38Å; T269-F849 HydrophobicContact CG2-CD1 3.86Å; T269-F849 HydrophobicContact CG2-CE1 4.3Å; A272-F849 HydrophobicContact CB-CD1 3.85Å; A272-F849 HydrophobicContact CB-CD2 3.53Å; A272-F849 HydrophobicContact CB-CE1 3.82Å; A272-F849 HydrophobicContact CB-CE2 3.51Å; A272-F849 HydrophobicContact CB-CG 3.7Å; A272-F849 HydrophobicContact CB-CZ 3.65Å; N273-F849 HydrophobicContact CB-CB 3.73Å; A844-F849 HydrophobicContact CB-CD1 4.03Å; A844-F849 WeakPolarHBondContact O-CA 3.49Å; A844-F849 PolarHBondContact O-N 2.98Å; I845-F849 HydrophobicContact CB-CZ 4.31Å; I845-F849 HydrophobicContact CG1-CE1 3.98Å; I845-F849 HydrophobicContact CG1-CZ 3.97Å; F849-G851 PolarHBondContact O-N 3.46Å |
| 850 | S | 85.9 | Confident | 89.2 | Confident | 69 Ų | 69 | 35.4 Ų | 35.4 | 48% | 0.483 | 17% | 0.172 | S | C | . | . | trans | -68.6 | -11.7 | -176.6 | 56.6 | 0 | 0 | 0 | 0 | 115.9 | S847 G848 | S847-S850 PolarHBondContact O-OG 3.44Å; S847-S850 PolarHBondContact OG-OG 2.93Å; G848-S850 PolarHBondContact O-N 3.11Å | ||
| 851 | G | 85.3 | Confident | 88.7 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 7% | 0.072 | 18% | 0.18 | C | C | . | . | trans | 83.3 | 9.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F849 I853 | F849-G851 PolarHBondContact O-N 3.46Å; G851-I853 PolarHBondContact O-N 3.04Å | ||
| 852 | Q | 89.3 | Confident | 88.3 | Confident | 98 Ų | 98 | 36.9 Ų | 36.9 | 46% | 0.458 | 19% | 0.185 | S | C | . | . | trans | -62.7 | 131.2 | 176.1 | -179.2 | 62.7 | 30.2 | 0 | 0 | 111.6 | F843 L944 | F843-Q852 WeakPolarHBondContact CD1-O 3.24Å; F843-Q852 HydrophobicContact CE1-CB 3.95Å; F843-Q852 HydrophobicContact CE1-CG 3.74Å; F843-Q852 WeakPolarHBondContact CE1-O 3.21Å; F843-Q852 HydrophobicContact CZ-CG 4.21Å; Q852-L944 HydrophobicContact CG-CD2 4.41Å | ||
| 853 | I | 91 | Very high | 88 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | trans | -83.6 | 142 | 175.2 | 58.9 | 177.3 | 0 | 0 | 0 | 111.4 | P52 T53 L309 G851 F855 R857 I860 | P52-I853 HydrophobicContact CB-CG2 4.01Å; P52-I853 WeakPolarHBondContact O-CD1 3.5Å; T53-I853 HydrophobicContact CG2-CG2 4.18Å; L309-I853 HydrophobicContact CD1-CG2 3.63Å; G851-I853 PolarHBondContact O-N 3.04Å; I853-F855 VanDerWaalsContact CD1-O 3.27Å; I853-F855 WeakPolarHBondContact CD1-O 3.36Å; I853-R857 HydrophobicContact CD1-CG 3.78Å; I853-I860 HydrophobicContact CB-CD1 4.41Å; I853-I860 HydrophobicContact CG2-CD1 4.34Å | ||
| 854 | V | 91.5 | Very high | 87.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -82.6 | -39.4 | 172.4 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | F843 | F843-V854 HydrophobicContact CB-CG2 3.26Å; F843-V854 HydrophobicContact CD1-CG2 3.21Å; F843-V854 HydrophobicContact CD2-CG2 3.55Å; F843-V854 HydrophobicContact CE1-CG2 3.82Å; F843-V854 HydrophobicContact CE2-CG2 4.13Å; F843-V854 HydrophobicContact CG-CG2 3.03Å; F843-V854 HydrophobicContact CZ-CG2 4.24Å |
| 855 | F | 90.7 | Very high | 87.1 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -97.2 | 150.4 | -174.9 | -51.6 | -55.5 | 0 | 0 | 0 | 109.9 | L836 I839 Q840 I853 I860 G948 V951 Y952 | L836-F855 HydrophobicContact CD1-CD2 4.16Å; L836-F855 HydrophobicContact CD1-CE2 3.49Å; L836-F855 VanDerWaalsContact CD1-CE2 3.49Å; L836-F855 HydrophobicContact CD1-CZ 3.73Å; L836-F855 HydrophobicContact CG-CE2 4.04Å; I839-F855 HydrophobicContact CB-CE2 4.47Å; I839-F855 HydrophobicContact CB-CZ 4.32Å; I839-F855 HydrophobicContact CD1-CZ 4.46Å; I839-F855 HydrophobicContact CG2-CE2 4.31Å; I839-F855 HydrophobicContact CG2-CZ 3.85Å; Q840-F855 HydrophobicContact CG-CD2 4.36Å; Q840-F855 HydrophobicContact CG-CE2 4.31Å; I853-F855 VanDerWaalsContact CD1-O 3.27Å; I853-F855 WeakPolarHBondContact CD1-O 3.36Å; F855-I860 HydrophobicContact CB-CD1 4.05Å; F855-I860 HydrophobicContact CB-CG1 3.66Å; F855-I860 HydrophobicContact CD2-CG1 4.38Å; F855-G948 WeakPolarHBondContact CD1-O 3.25Å; F855-G948 WeakPolarHBondContact CE1-O 3.18Å; F855-V951 HydrophobicContact CE1-CB 4.27Å; F855-V951 HydrophobicContact CE1-CG1 4.02Å; F855-V951 HydrophobicContact CZ-CG1 4.07Å; F855-Y952 HydrophobicContact CB-CD2 4.32Å; F855-Y952 AromaticContact CD1-CD2 3.64Å; F855-Y952 HydrophobicContact CD1-CD2 3.64Å; F855-Y952 HydrophobicContact CD1-CG 4.19Å; F855-Y952 HydrophobicContact CD2-CD2 4.3Å; F855-Y952 AromaticContact CE1-CD2 3.94Å; F855-Y952 HydrophobicContact CE1-CD2 3.94Å; F855-Y952 HydrophobicContact CE1-CG 4.33Å; F855-Y952 AromaticContact CG-CD2 3.83Å; F855-Y952 HydrophobicContact CG-CD2 3.83Å; F855-Y952 HydrophobicContact CZ-CD2 4.38Å |
| 856 | E | 87.7 | Confident | 86.8 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | trans | -66.1 | 149.1 | 175.4 | -173.5 | -79.4 | 147.7 | 0 | 0 | 111.3 | W858 S859 I860 Y992 M1005 | E856-W858 VanDerWaalsContact CD-N 3.31Å; E856-W858 PolarHBondContact O-N 3.46Å; E856-W858 PolarHBondContact OE1-N 3.47Å; E856-W858 VanDerWaalsContact OE1-N 3.14Å; E856-W858 WeakPolarHBondContact OE2-CA 3.24Å; E856-W858 WeakPolarHBondContact OE2-CB 3.3Å; E856-W858 PolarHBondContact OE2-N 2.75Å; E856-S859 WeakPolarHBondContact O-CB 3.39Å; E856-S859 PolarHBondContact O-N 3.49Å; E856-S859 VanDerWaalsContact O-N 3.15Å; E856-S859 PolarHBondContact OE2-N 3.02Å; E856-S859 PolarHBondContact OE2-OG 2.94Å; E856-I860 PolarHBondContact O-N 3.11Å; E856-I860 VanDerWaalsContact O-N 3.1Å; E856-Y992 PolarHBondContact OE1-OH 2.98Å; E856-M1005 HydrophobicContact CB-CE 3.71Å; E856-M1005 HydrophobicContact CB-CG 4.43Å; E856-M1005 HydrophobicContact CB-SD 3.93Å; E856-M1005 HydrophobicContact CG-CE 3.84Å; E856-M1005 HydrophobicContact CG-CG 3.84Å; E856-M1005 HydrophobicContact CG-SD 4Å | ||
| 857 | R | 84.6 | Confident | 86.7 | Confident | 132 Ų | 132 | 34 Ų | 34 | 50% | 0.498 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -53.2 | -48.6 | -169.8 | -66.8 | 178.6 | -177.5 | 160.7 | 4.6 | 113.7 | T53 I853 | T53-R857 VanDerWaalsContact O-CB 3.3Å; T53-R857 WeakPolarHBondContact O-CB 3.11Å; T53-R857 WeakPolarHBondContact O-CG 3.22Å; I853-R857 HydrophobicContact CD1-CG 3.78Å |
| 858 | W | 82 | Confident | 86.8 | Confident | 94 Ų | 94 | 32.5 Ų | 32.5 | 36% | 0.356 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -75.6 | -35.2 | 178.8 | -72.7 | 101.5 | 0 | 0 | 0 | 112.4 | E856 I860 G861 L862 Y992 L1001 | E856-W858 VanDerWaalsContact CD-N 3.31Å; E856-W858 PolarHBondContact O-N 3.46Å; E856-W858 PolarHBondContact OE1-N 3.47Å; E856-W858 VanDerWaalsContact OE1-N 3.14Å; E856-W858 WeakPolarHBondContact OE2-CA 3.24Å; E856-W858 WeakPolarHBondContact OE2-CB 3.3Å; E856-W858 PolarHBondContact OE2-N 2.75Å; W858-I860 PolarHBondContact O-N 3.22Å; W858-G861 PolarHBondContact O-N 3.03Å; W858-L862 WeakPolarHBondContact O-CB 3.26Å; W858-L862 WeakPolarHBondContact O-CG 3.3Å; W858-L862 PolarHBondContact O-N 3.1Å; W858-Y992 VanDerWaalsContact CB-OH 3.27Å; W858-Y992 WeakPolarHBondContact CB-OH 3.3Å; W858-L1001 HydrophobicContact CZ2-CD1 4.31Å |
| 859 | S | 85.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -36.7 | 175.5 | -57 | 0 | 0 | 0 | 0 | 111.8 | E856 Y863 Y952 | E856-S859 WeakPolarHBondContact O-CB 3.39Å; E856-S859 PolarHBondContact O-N 3.49Å; E856-S859 VanDerWaalsContact O-N 3.15Å; E856-S859 PolarHBondContact OE2-N 3.02Å; E856-S859 PolarHBondContact OE2-OG 2.94Å; S859-Y863 PolarHBondContact O-N 2.9Å; S859-Y952 PolarHBondContact O-OH 2.93Å |
| 860 | I | 85.1 | Confident | 87.1 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 173.1 | -67.4 | 170.3 | 0 | 0 | 0 | 111.9 | T53 Y837 I853 F855 E856 W858 | T53-I860 HydrophobicContact CG2-CD1 3.95Å; Y837-I860 HydrophobicContact CE1-CG2 3.76Å; Y837-I860 PolarHBondContact OH-O 3.11Å; I853-I860 HydrophobicContact CB-CD1 4.41Å; I853-I860 HydrophobicContact CG2-CD1 4.34Å; F855-I860 HydrophobicContact CB-CD1 4.05Å; F855-I860 HydrophobicContact CB-CG1 3.66Å; F855-I860 HydrophobicContact CD2-CG1 4.38Å; E856-I860 PolarHBondContact O-N 3.11Å; E856-I860 VanDerWaalsContact O-N 3.1Å; W858-I860 PolarHBondContact O-N 3.22Å |
| 861 | G | 79.9 | Confident | 87.4 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | W858 | W858-G861 PolarHBondContact O-N 3.03Å |
| 862 | L | 85.7 | Confident | 87.8 | Confident | 36 Ų | 36 | 29.9 Ų | 29.9 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -77.3 | -18.7 | -176.8 | -64.5 | 179.9 | 0 | 0 | 0 | 113.7 | W858 N864 V865 I866 F867 F988 | W858-L862 WeakPolarHBondContact O-CB 3.26Å; W858-L862 WeakPolarHBondContact O-CG 3.3Å; W858-L862 PolarHBondContact O-N 3.1Å; L862-N864 VanDerWaalsContact C-N 3.28Å; L862-N864 PolarHBondContact O-N 3.27Å; L862-V865 PolarHBondContact O-N 2.7Å; L862-I866 HydrophobicContact CD1-CD1 4.48Å; L862-I866 HydrophobicContact CD2-CD1 3.78Å; L862-I866 HydrophobicContact CD2-CG1 4.26Å; L862-I866 PolarHBondContact O-N 3.48Å; L862-F867 HydrophobicContact CB-CD2 4.29Å; L862-F867 HydrophobicContact CB-CE2 3.64Å; L862-F867 HydrophobicContact CB-CZ 4.1Å; L862-F867 HydrophobicContact CD1-CZ 4.42Å; L862-F867 PolarHBondContact O-N 3.42Å; L862-F988 HydrophobicContact CD1-CD2 4.42Å; L862-F988 HydrophobicContact CD1-CE2 3.57Å; L862-F988 HydrophobicContact CD1-CZ 3.72Å |
| 863 | Y | 88.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -49.3 | -49.2 | 177 | -179.7 | -111.9 | 0 | 0 | 0 | 112.9 | K832 L836 S859 T868 Y952 V955 V956 | K832-Y863 WeakPolarHBondContact O-CE1 3.35Å; K832-Y863 PolarHBondContact O-OH 2.98Å; L836-Y863 HydrophobicContact CB-CD1 4.47Å; L836-Y863 HydrophobicContact CB-CE1 3.94Å; L836-Y863 HydrophobicContact CD2-CD1 3.42Å; L836-Y863 VanDerWaalsContact CD2-CD1 3.42Å; L836-Y863 HydrophobicContact CD2-CD2 3.8Å; L836-Y863 HydrophobicContact CD2-CE1 3.75Å; L836-Y863 HydrophobicContact CD2-CE2 4.11Å; L836-Y863 HydrophobicContact CD2-CG 3.43Å; L836-Y863 VanDerWaalsContact CD2-CG 3.43Å; L836-Y863 HydrophobicContact CG-CE1 4.44Å; S859-Y863 PolarHBondContact O-N 2.9Å; Y863-T868 HydrophobicContact CD2-CG2 3.83Å; Y863-T868 HydrophobicContact CE1-CG2 4.42Å; Y863-T868 HydrophobicContact CE2-CG2 3.33Å; Y863-T868 PolarHBondContact O-N 2.92Å; Y863-T868 PolarHBondContact O-OG1 2.91Å; Y863-Y952 VanDerWaalsContact CA-OH 3.28Å; Y863-Y952 WeakPolarHBondContact CA-OH 3.37Å; Y863-Y952 WeakPolarHBondContact CB-OH 3.46Å; Y863-Y952 HydrophobicContact CD2-CE2 4.27Å; Y863-Y952 AromaticContact CD2-CZ 3.85Å; Y863-V955 HydrophobicContact CE2-CG1 4.33Å; Y863-V956 HydrophobicContact CD2-CG2 4.35Å; Y863-V956 HydrophobicContact CE2-CG2 4.25Å |
| 864 | N | 84.3 | Confident | 88.1 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -84.4 | -16.4 | -174 | -82.9 | -34.9 | 0 | 0 | 0 | 114.1 | S317 K832 N833 L862 | S317-N864 PolarHBondContact OG-O 3.34Å; K832-N864 PolarHBondContact NZ-OD1 3.28Å; N833-N864 PolarHBondContact ND2-OD1 2.94Å; N833-N864 VanDerWaalsContact OD1-CG 3.3Å; N833-N864 PolarHBondContact OD1-ND2 2.74Å; N833-N864 PolarHBondContact OD1-OD1 2.72Å; L862-N864 VanDerWaalsContact C-N 3.28Å; L862-N864 PolarHBondContact O-N 3.27Å |
| 865 | V | 81.5 | Confident | 88.1 | Confident | 71 Ų | 71 | 27.6 Ų | 27.6 | 43% | 0.43 | 14% | 0.141 | S | C | . | . | I | π-helix | trans | -102.4 | -41.9 | -172.8 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | L862 A869 | L862-V865 PolarHBondContact O-N 2.7Å; V865-A869 WeakPolarHBondContact O-CB 3.48Å |
| 866 | I | 85.8 | Confident | 88.2 | Confident | 74 Ų | 74 | 27.4 Ų | 27.4 | 38% | 0.379 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -111.9 | -63.6 | -174.6 | -58.3 | -175.3 | 0 | 0 | 0 | 110.2 | L862 T868 C984 | L862-I866 HydrophobicContact CD1-CD1 4.48Å; L862-I866 HydrophobicContact CD2-CD1 3.78Å; L862-I866 HydrophobicContact CD2-CG1 4.26Å; L862-I866 PolarHBondContact O-N 3.48Å; I866-T868 PolarHBondContact O-N 3.19Å; I866-C984 WeakPolarHBondContact CG2-SG 3.5Å |
| 867 | F | 90.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -72 | -30.4 | -163.6 | -50.1 | -49.4 | 0 | 0 | 0 | 113.8 | L862 Y952 S981 W985 F988 | L862-F867 HydrophobicContact CB-CD2 4.29Å; L862-F867 HydrophobicContact CB-CE2 3.64Å; L862-F867 HydrophobicContact CB-CZ 4.1Å; L862-F867 HydrophobicContact CD1-CZ 4.42Å; L862-F867 PolarHBondContact O-N 3.42Å; F867-Y952 HydrophobicContact CD2-CE1 4.12Å; F867-Y952 VanDerWaalsContact CD2-OH 3.29Å; F867-Y952 WeakPolarHBondContact CD2-OH 3.36Å; F867-S981 WeakPolarHBondContact O-CB 3.2Å; F867-S981 PolarHBondContact O-OG 3.23Å; F867-W985 HydrophobicContact CD1-CB 4.2Å; F867-W985 HydrophobicContact CD1-CE3 4.24Å; F867-W985 AromaticContact CD2-CE3 3.81Å; F867-W985 HydrophobicContact CD2-CE3 3.81Å; F867-W985 HydrophobicContact CD2-CZ3 4.25Å; F867-W985 HydrophobicContact CE1-CE3 4.04Å; F867-W985 AromaticContact CE2-CE3 3.57Å; F867-W985 HydrophobicContact CE2-CE3 3.57Å; F867-W985 AromaticContact CE2-CZ3 3.71Å; F867-W985 HydrophobicContact CE2-CZ3 3.71Å; F867-W985 HydrophobicContact CG-CE3 4.15Å; F867-W985 AromaticContact CZ-CE3 3.71Å; F867-W985 HydrophobicContact CZ-CE3 3.71Å; F867-W985 HydrophobicContact CZ-CZ3 4.04Å; F867-F988 HydrophobicContact CE1-CB 3.71Å; F867-F988 HydrophobicContact CE1-CD1 4.33Å; F867-F988 HydrophobicContact CE1-CD2 4.37Å; F867-F988 AromaticContact CE1-CG 3.9Å; F867-F988 HydrophobicContact CE1-CG 3.9Å; F867-F988 HydrophobicContact CE2-CD1 4.34Å; F867-F988 HydrophobicContact CZ-CB 3.83Å; F867-F988 AromaticContact CZ-CD1 3.58Å; F867-F988 HydrophobicContact CZ-CD1 3.58Å; F867-F988 AromaticContact CZ-CD2 3.89Å; F867-F988 HydrophobicContact CZ-CD2 3.89Å; F867-F988 HydrophobicContact CZ-CE1 4.06Å; F867-F988 HydrophobicContact CZ-CE2 4.34Å; F867-F988 AromaticContact CZ-CG 3.48Å; F867-F988 HydrophobicContact CZ-CG 3.48Å; F867-F988 VanDerWaalsContact CZ-CG 3.48Å; F867-F988 HydrophobicContact CZ-CZ 4.41Å |
| 868 | T | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 16.9 | -178.7 | 68.9 | 0 | 0 | 0 | 0 | 114.5 | K832 Y863 I866 P872 V959 | K832-T868 PolarHBondContact NZ-OG1 3.03Å; Y863-T868 HydrophobicContact CD2-CG2 3.83Å; Y863-T868 HydrophobicContact CE1-CG2 4.42Å; Y863-T868 HydrophobicContact CE2-CG2 3.33Å; Y863-T868 PolarHBondContact O-N 2.92Å; Y863-T868 PolarHBondContact O-OG1 2.91Å; I866-T868 PolarHBondContact O-N 3.19Å; T868-P872 WeakPolarHBondContact O-CD 3.04Å; T868-P872 WeakPolarHBondContact O-CG 3.47Å; T868-V959 HydrophobicContact CG2-CG1 4.25Å |
| 869 | A | 89.1 | Confident | 89.3 | Confident | 18 Ų | 18 | 18.6 Ų | 18.6 | 15% | 0.149 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -36.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M321 V865 P872 | M321-A869 VanDerWaalsContact CE-O 3.3Å; M321-A869 WeakPolarHBondContact CE-O 3.33Å; V865-A869 WeakPolarHBondContact O-CB 3.48Å; A869-P872 VanDerWaalsContact O-CD 3.25Å; A869-P872 WeakPolarHBondContact O-CD 3.44Å; A869-P872 WeakPolarHBondContact O-CG 3.44Å |
| 870 | A | 92.8 | Very high | 89.2 | Confident | 30 Ų | 30 | 25.4 Ų | 25.4 | 25% | 0.248 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.6 | -43.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M873 A874 A977 | A870-M873 WeakPolarHBondContact O-CB 3.19Å; A870-M873 PolarHBondContact O-N 3.3Å; A870-A874 PolarHBondContact O-N 2.82Å; A870-A977 HydrophobicContact CB-CB 3.97Å |
| 871 | P | 93 | Very high | 89 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | -179.5 | -23.5 | 33.4 | 0 | 0 | 0 | 115.3 | Y828 M873 A874 L875 A963 S981 | Y828-P871 HydrophobicContact CE1-CB 4.4Å; P871-M873 VanDerWaalsContact C-N 3.29Å; P871-M873 PolarHBondContact O-N 3.16Å; P871-A874 PolarHBondContact O-N 2.83Å; P871-L875 PolarHBondContact O-N 3.26Å; P871-A963 HydrophobicContact CB-CB 3.68Å; P871-S981 WeakPolarHBondContact CD-OG 3.08Å |
| 872 | P | 92.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.9 | -35.4 | 175.9 | 18.2 | -23.1 | 0 | 0 | 0 | 112.2 | M321 L825 Y828 T868 A869 L875 G876 | M321-P872 HydrophobicContact CE-CB 4.36Å; M321-P872 HydrophobicContact CE-CG 4.07Å; L825-P872 VanDerWaalsContact CD1-O 3.32Å; L825-P872 WeakPolarHBondContact CD1-O 3.35Å; L825-P872 HydrophobicContact CG-CB 4.1Å; Y828-P872 HydrophobicContact CD1-CB 3.92Å; Y828-P872 HydrophobicContact CD1-CG 4.36Å; Y828-P872 HydrophobicContact CE1-CB 4.18Å; Y828-P872 HydrophobicContact CE1-CG 4.15Å; T868-P872 WeakPolarHBondContact O-CD 3.04Å; T868-P872 WeakPolarHBondContact O-CG 3.47Å; A869-P872 VanDerWaalsContact O-CD 3.25Å; A869-P872 WeakPolarHBondContact O-CD 3.44Å; A869-P872 WeakPolarHBondContact O-CG 3.44Å; P872-L875 PolarHBondContact O-N 3.41Å; P872-G876 PolarHBondContact O-N 2.88Å |
| 873 | M | 92.5 | Very high | 89.3 | Confident | 68 Ų | 68 | 25.1 Ų | 25.1 | 34% | 0.335 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 174.5 | -166.9 | 163.3 | 58.4 | 0 | 0 | 111.4 | M321 V325 A870 P871 G876 L877 | M321-M873 HydrophobicContact CE-CB 3.69Å; M321-M873 HydrophobicContact CE-CG 4.42Å; V325-M873 HydrophobicContact CG2-CG 4.27Å; A870-M873 WeakPolarHBondContact O-CB 3.19Å; A870-M873 PolarHBondContact O-N 3.3Å; P871-M873 VanDerWaalsContact C-N 3.29Å; P871-M873 PolarHBondContact O-N 3.16Å; M873-G876 PolarHBondContact O-N 3.45Å; M873-G876 VanDerWaalsContact O-N 3.15Å; M873-L877 HydrophobicContact CG-CD1 3.78Å; M873-L877 HydrophobicContact CG-CG 4.49Å; M873-L877 WeakPolarHBondContact O-CB 3.28Å; M873-L877 WeakPolarHBondContact O-CG 3.47Å; M873-L877 PolarHBondContact O-N 3.23Å |
| 874 | A | 93.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A870 P871 G876 L877 F878 A977 | A870-A874 PolarHBondContact O-N 2.82Å; P871-A874 PolarHBondContact O-N 2.83Å; A874-G876 VanDerWaalsContact C-N 3.31Å; A874-L877 PolarHBondContact O-N 3.03Å; A874-F878 HydrophobicContact CB-CD2 4.12Å; A874-F878 PolarHBondContact O-N 3.19Å; A874-A977 HydrophobicContact CB-CB 3.57Å |
| 875 | L | 93.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 170.7 | -77 | 168.7 | 0 | 0 | 0 | 111.6 | Y828 P871 P872 L877 D879 A963 E966 H967 | Y828-L875 HydrophobicContact CD1-CD1 4.31Å; Y828-L875 HydrophobicContact CD2-CD1 4.43Å; Y828-L875 HydrophobicContact CG-CD1 4.08Å; P871-L875 PolarHBondContact O-N 3.26Å; P872-L875 PolarHBondContact O-N 3.41Å; L875-L877 VanDerWaalsContact C-N 3.34Å; L875-L877 PolarHBondContact O-N 3.22Å; L875-D879 WeakPolarHBondContact O-CB 3.11Å; L875-A963 HydrophobicContact CD1-CB 4.3Å; L875-E966 HydrophobicContact CD2-CB 4.49Å; L875-H967 HydrophobicContact CD2-CB 4.41Å; L875-H967 WeakPolarHBondContact CD2-CD2 3.26Å; L875-H967 WeakPolarHBondContact CD2-NE2 3.46Å; L875-H967 WeakPolarHBondContact CG-NE2 3.47Å |
| 876 | G | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.8 | -25.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V325 Q329 R821 P872 M873 A874 | V325-G876 WeakPolarHBondContact CG1-O 3.29Å; Q329-G876 PolarHBondContact NE2-O 3.39Å; R821-G876 WeakPolarHBondContact CB-O 3.47Å; R821-G876 WeakPolarHBondContact CD-O 3.28Å; P872-G876 PolarHBondContact O-N 2.88Å; M873-G876 PolarHBondContact O-N 3.45Å; M873-G876 VanDerWaalsContact O-N 3.15Å; A874-G876 VanDerWaalsContact C-N 3.31Å |
| 877 | L | 93.3 | Very high | 90.2 | Very high | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -112 | -43.8 | -172 | -64.4 | 176.5 | 0 | 0 | 0 | 113.9 | V325 I328 Q329 Y332 M873 A874 L875 | V325-L877 HydrophobicContact CB-CD2 4.4Å; V325-L877 HydrophobicContact CG1-CD2 4.02Å; V325-L877 HydrophobicContact CG2-CD2 4.38Å; V325-L877 HydrophobicContact CG2-CG 4.31Å; I328-L877 HydrophobicContact CB-CD2 3.7Å; I328-L877 HydrophobicContact CD1-CD1 3.85Å; I328-L877 HydrophobicContact CD1-CD2 4.46Å; I328-L877 HydrophobicContact CG2-CD1 4.19Å; I328-L877 HydrophobicContact CG2-CD2 3.62Å; Q329-L877 HydrophobicContact CG-CD2 4.26Å; Y332-L877 HydrophobicContact CE2-CB 4.48Å; Y332-L877 HydrophobicContact CE2-CD2 4.39Å; M873-L877 HydrophobicContact CG-CD1 3.78Å; M873-L877 HydrophobicContact CG-CG 4.49Å; M873-L877 WeakPolarHBondContact O-CB 3.28Å; M873-L877 WeakPolarHBondContact O-CG 3.47Å; M873-L877 PolarHBondContact O-N 3.23Å; A874-L877 PolarHBondContact O-N 3.03Å; L875-L877 VanDerWaalsContact C-N 3.34Å; L875-L877 PolarHBondContact O-N 3.22Å |
| 878 | F | 92.1 | Very high | 90.3 | Very high | 46 Ų | 46 | 29.3 Ų | 29.3 | 20% | 0.202 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -107.5 | -7.5 | -165 | -53.5 | -60.2 | 0 | 0 | 0 | 114.2 | Y332 A874 T971 L973 | Y332-F878 VanDerWaalsContact OH-CE1 3.25Å; Y332-F878 WeakPolarHBondContact OH-CE1 3.41Å; A874-F878 HydrophobicContact CB-CD2 4.12Å; A874-F878 PolarHBondContact O-N 3.19Å; F878-T971 HydrophobicContact CB-CG2 4.42Å; F878-L973 HydrophobicContact CD1-CD1 3.9Å; F878-L973 HydrophobicContact CD2-CB 3.78Å; F878-L973 HydrophobicContact CD2-CD1 4.32Å; F878-L973 HydrophobicContact CE1-CD1 3.42Å; F878-L973 VanDerWaalsContact CE1-CD1 3.42Å; F878-L973 HydrophobicContact CE2-CB 3.81Å; F878-L973 HydrophobicContact CE2-CD1 3.91Å; F878-L973 HydrophobicContact CE2-CG 4.32Å; F878-L973 HydrophobicContact CG-CB 4.23Å; F878-L973 HydrophobicContact CG-CD1 4.34Å; F878-L973 HydrophobicContact CZ-CB 4.27Å; F878-L973 HydrophobicContact CZ-CD1 3.46Å; F878-L973 VanDerWaalsContact CZ-CD1 3.46Å; F878-L973 HydrophobicContact CZ-CG 4.31Å |
| 879 | D | 90.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | trans | -71 | 145.4 | -179.5 | -162.7 | 27.8 | 0 | 0 | 0 | 111.9 | R821 K824 L875 T968 A969 | R821-D879 HydrophobicContact CG-CB 4.31Å; R821-D879 VanDerWaalsContact CZ-O 3.27Å; R821-D879 PolarHBondContact NE-O 3.25Å; R821-D879 PolarHBondContact NH2-O 2.64Å; K824-D879 IonicContact NZ-OD2 3.09Å; K824-D879 PolarHBondContact NZ-OD2 3.14Å; L875-D879 WeakPolarHBondContact O-CB 3.11Å; D879-T968 WeakPolarHBondContact OD1-CA 3.44Å; D879-T968 PolarHBondContact OD1-N 3.02Å; D879-T968 PolarHBondContact OD1-OG1 3.48Å; D879-T968 PolarHBondContact OD2-OG1 3.3Å; D879-T968 VanDerWaalsContact OD2-OG1 3.1Å; D879-A969 PolarHBondContact OD1-N 3.2Å; D879-A969 VanDerWaalsContact OD1-N 3.17Å | ||
| 880 | R | 85.3 | Confident | 90.2 | Very high | 144 Ų | 144 | 34.2 Ų | 34.2 | 54% | 0.543 | 17% | 0.173 | S | C | . | . | trans | -139.8 | 117.3 | 180 | -60.5 | 179.5 | -172.3 | -179 | -1 | 108.9 | W817 T968 A969 | W817-R880 HydrophobicContact CH2-CG 4.45Å; W817-R880 HydrophobicContact CZ2-CG 4.47Å; R880-T968 PolarHBondContact O-OG1 3.32Å; R880-T968 VanDerWaalsContact O-OG1 3.09Å; R880-A969 HydrophobicContact CB-CB 4.06Å | ||
| 881 | S | 80.5 | Confident | 90.1 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -82.5 | -37.6 | -178.7 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | N820 | N820-S881 PolarHBondContact ND2-OG 3.25Š|
| 882 | C | 83 | Confident | 89.9 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -139.8 | 156.3 | 174.1 | -67.3 | 0 | 0 | 0 | 0 | 109.1 | W817 | W817-C882 WeakPolarHBondContact CZ2-O 3.07Å; W817-C882 PolarHBondContact NE1-O 3.47Å; W817-C882 VanDerWaalsContact NE1-O 3.09Å |
| 883 | S | 88.6 | Confident | 89.8 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 22% | 0.224 | 17% | 0.166 | C | C | . | . | trans | -67.1 | 158 | 169.9 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | N885 N886 C887 E1055 | S883-N885 VanDerWaalsContact C-N 3.29Å; S883-N885 PolarHBondContact O-N 2.86Å; S883-N886 PolarHBondContact O-N 3.18Å; S883-C887 PolarHBondContact O-N 3.3Å; S883-C887 PolarHBondContact O-SG 3.19Å; S883-E1055 WeakPolarHBondContact CB-OE1 3.46Å; S883-E1055 PolarHBondContact N-OE2 3.39Å; S883-E1055 VanDerWaalsContact OG-CD 3.27Å; S883-E1055 PolarHBondContact OG-OE1 3.45Å; S883-E1055 PolarHBondContact OG-OE2 2.91Å | ||
| 884 | V | 91.1 | Very high | 89.7 | Confident | 39 Ų | 39 | 30.9 Ų | 30.9 | 24% | 0.236 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.7 | -46.5 | 175 | -177.1 | 0 | 0 | 0 | 0 | 111 | V813 W817 N886 C887 L888 | V813-V884 HydrophobicContact CG1-CG1 4.28Å; V813-V884 HydrophobicContact CG1-CG2 4.07Å; V813-V884 HydrophobicContact CG2-CG1 4.07Å; W817-V884 HydrophobicContact CH2-CG2 3.41Å; W817-V884 VanDerWaalsContact CH2-CG2 3.41Å; W817-V884 HydrophobicContact CZ2-CG2 3.77Å; W817-V884 HydrophobicContact CZ3-CG2 4.34Å; V884-N886 PolarHBondContact O-N 2.79Å; V884-C887 PolarHBondContact O-N 3.21Å; V884-L888 HydrophobicContact CG1-CD1 4.07Å; V884-L888 WeakPolarHBondContact O-CG 3.32Å; V884-L888 PolarHBondContact O-N 2.83Å |
| 885 | N | 90.1 | Very high | 89.4 | Confident | 125 Ų | 125 | 35.4 Ų | 35.4 | 67% | 0.668 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -61.8 | -43.3 | -178.3 | -67.2 | -16 | 0 | 0 | 0 | 112 | S883 L888 K889 | S883-N885 VanDerWaalsContact C-N 3.29Å; S883-N885 PolarHBondContact O-N 2.86Å; N885-L888 PolarHBondContact O-N 3.48Å; N885-K889 WeakPolarHBondContact O-CB 3.46Å; N885-K889 PolarHBondContact O-N 3.08Å |
| 886 | N | 89.2 | Confident | 89.1 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70 | -38.3 | 178.3 | -77.3 | -18.2 | 0 | 0 | 0 | 112 | S883 V884 L888 Y890 V1051 E1055 | S883-N886 PolarHBondContact O-N 3.18Å; V884-N886 PolarHBondContact O-N 2.79Å; N886-L888 VanDerWaalsContact C-N 3.33Å; N886-L888 PolarHBondContact O-N 3.34Å; N886-Y890 WeakPolarHBondContact O-CB 3.3Å; N886-Y890 PolarHBondContact O-N 3.43Å; N886-V1051 HydrophobicContact CB-CG1 4.47Å; N886-E1055 PolarHBondContact ND2-OE2 3.05Å |
| 887 | C | 89.6 | Confident | 88.8 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 5% | 0.054 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 174.2 | -75.5 | 0 | 0 | 0 | 0 | 112.6 | V813 S883 V884 Y890 | V813-C887 HydrophobicContact CG2-CB 3.96Å; S883-C887 PolarHBondContact O-N 3.3Å; S883-C887 PolarHBondContact O-SG 3.19Å; V884-C887 PolarHBondContact O-N 3.21Å; C887-Y890 CarbonylContact O-C 3.42Å |
| 888 | L | 91.4 | Very high | 88.5 | Confident | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -78.7 | -38.7 | 179.6 | -66.5 | 174.6 | 0 | 0 | 0 | 112.9 | V813 V884 N885 N886 Y890 | V813-L888 HydrophobicContact CG2-CD2 3.97Å; V813-L888 HydrophobicContact CG2-CG 3.99Å; V884-L888 HydrophobicContact CG1-CD1 4.07Å; V884-L888 WeakPolarHBondContact O-CG 3.32Å; V884-L888 PolarHBondContact O-N 2.83Å; N885-L888 PolarHBondContact O-N 3.48Å; N886-L888 VanDerWaalsContact C-N 3.33Å; N886-L888 PolarHBondContact O-N 3.34Å; L888-Y890 VanDerWaalsContact C-N 3.31Å; L888-Y890 PolarHBondContact O-N 3.3Å |
| 889 | K | 89 | Confident | 87.9 | Confident | 108 Ų | 108 | 40.2 Ų | 40.2 | 47% | 0.47 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.3 | -30.5 | 178.2 | -172.5 | 177 | 177 | -170.7 | 0 | 112.2 | N885 P891 D1060 | N885-K889 WeakPolarHBondContact O-CB 3.46Å; N885-K889 PolarHBondContact O-N 3.08Å; K889-P891 WeakPolarHBondContact O-CD 3.35Å; K889-D1060 IonicContact NZ-OD1 3.67Å; K889-D1060 PolarHBondContact NZ-OD1 3.19Å; K889-D1060 IonicContact NZ-OD2 3.29Å; K889-D1060 PolarHBondContact NZ-OD2 3.07Å |
| 890 | Y | 90.2 | Very high | 87.4 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | trans | -126.7 | 74.8 | -177.5 | -56.7 | -65 | 0 | 0 | 0 | 112.1 | N886 C887 L888 E892 L893 D1060 P1061 G1062 I1065 | N886-Y890 WeakPolarHBondContact O-CB 3.3Å; N886-Y890 PolarHBondContact O-N 3.43Å; C887-Y890 CarbonylContact O-C 3.42Å; L888-Y890 VanDerWaalsContact C-N 3.31Å; L888-Y890 PolarHBondContact O-N 3.3Å; Y890-E892 WeakPolarHBondContact CA-OE2 3.48Å; Y890-E892 PolarHBondContact O-N 3.43Å; Y890-L893 WeakPolarHBondContact O-CB 3.32Å; Y890-L893 WeakPolarHBondContact O-CG 3.2Å; Y890-L893 PolarHBondContact O-N 2.67Å; Y890-D1060 PolarHBondContact OH-OD1 3.41Å; Y890-P1061 HydrophobicContact CD2-CG 3.99Å; Y890-P1061 HydrophobicContact CE2-CG 3.42Å; Y890-P1061 VanDerWaalsContact CE2-CG 3.42Å; Y890-G1062 WeakPolarHBondContact OH-CA 3.48Å; Y890-G1062 PolarHBondContact OH-N 2.86Å; Y890-I1065 HydrophobicContact CD1-CB 4.39Å; Y890-I1065 HydrophobicContact CD1-CD1 3.22Å; Y890-I1065 HydrophobicContact CD1-CG1 4.39Å; Y890-I1065 HydrophobicContact CD1-CG2 4.28Å; Y890-I1065 HydrophobicContact CD2-CD1 3.79Å; Y890-I1065 HydrophobicContact CE1-CD1 3.75Å; Y890-I1065 HydrophobicContact CE2-CD1 4.28Å; Y890-I1065 HydrophobicContact CG-CD1 3.22Å | ||
| 891 | P | 91.2 | Very high | 86.7 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -58 | -21.6 | -179.7 | -23.8 | 34.4 | 0 | 0 | 0 | 113.9 | N639 R642 A643 L812 K889 L893 Y894 | N639-P891 HydrophobicContact CB-CB 4.48Å; N639-P891 HydrophobicContact CB-CG 3.83Å; N639-P891 WeakPolarHBondContact O-CB 3.16Å; R642-P891 HydrophobicContact CB-CB 4.33Å; A643-P891 WeakPolarHBondContact CA-O 3.47Å; A643-P891 HydrophobicContact CB-CB 3.9Å; A643-P891 WeakPolarHBondContact CB-O 3.28Å; L812-P891 HydrophobicContact CD1-CB 3.79Å; L812-P891 HydrophobicContact CD1-CG 4.03Å; L812-P891 HydrophobicContact CD2-CB 4.37Å; K889-P891 WeakPolarHBondContact O-CD 3.35Å; P891-L893 PolarHBondContact O-N 3.39Å; P891-L893 VanDerWaalsContact O-N 3.09Å; P891-Y894 WeakPolarHBondContact O-CB 3.33Å; P891-Y894 PolarHBondContact O-N 3.24Å |
| 892 | E | 88.8 | Confident | 86.4 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -59.8 | -22 | 179.4 | -59.9 | 83.6 | 178.5 | 0 | 0 | 113.3 | R642 Y890 Y894 K895 I1065 I1069 | R642-E892 IonicContact CZ-OE1 2.75Å; R642-E892 VanDerWaalsContact CZ-OE1 3.25Å; R642-E892 IonicContact NE-OE1 3.94Å; R642-E892 PolarHBondContact NE-OE1 2.85Å; R642-E892 IonicContact NH2-OE1 3.66Å; R642-E892 PolarHBondContact NH2-OE1 3.09Å; R642-E892 IonicContact NH2-OE2 3.25Å; Y890-E892 WeakPolarHBondContact CA-OE2 3.48Å; Y890-E892 PolarHBondContact O-N 3.43Å; E892-Y894 PolarHBondContact O-N 3.18Å; E892-K895 WeakPolarHBondContact O-CB 3.26Å; E892-K895 PolarHBondContact O-N 2.98Å; E892-I1065 HydrophobicContact CG-CG2 4.39Å; E892-I1069 HydrophobicContact CG-CD1 4.01Å; E892-I1069 HydrophobicContact CG-CG1 4.4Å |
| 893 | L | 89.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -62.4 | -19.1 | 175.1 | -69 | 175.8 | 0 | 0 | 0 | 113.7 | Y890 P891 K895 L1047 R1048 V1051 | Y890-L893 WeakPolarHBondContact O-CB 3.32Å; Y890-L893 WeakPolarHBondContact O-CG 3.2Å; Y890-L893 PolarHBondContact O-N 2.67Å; P891-L893 PolarHBondContact O-N 3.39Å; P891-L893 VanDerWaalsContact O-N 3.09Å; L893-K895 VanDerWaalsContact C-N 3.32Å; L893-L1047 HydrophobicContact CD2-CD2 4.29Å; L893-L1047 HydrophobicContact CD2-CG 4.06Å; L893-R1048 HydrophobicContact CD2-CB 4.46Å; L893-R1048 PolarHBondContact O-NH2 3Å; L893-V1051 HydrophobicContact CD1-CG1 4.12Å; L893-V1051 HydrophobicContact CD2-CB 4.33Å; L893-V1051 HydrophobicContact CD2-CG2 3.95Å |
| 894 | Y | 91.7 | Very high | 86.4 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -73.1 | -23.3 | 177.6 | -171.8 | -94.9 | 0 | 0 | 0 | 112.7 | L359 Q361 V362 A643 I645 L811 L812 A816 P891 E892 D896 T897 Q898 | L359-Y894 PolarHBondContact O-OH 3.29Å; Q361-Y894 PolarHBondContact N-OH 3.46Å; V362-Y894 PolarHBondContact N-OH 3.32Å; V362-Y894 WeakPolarHBondContact O-CE1 3.42Å; A643-Y894 HydrophobicContact CB-CD1 4.16Å; A643-Y894 HydrophobicContact CB-CG 4.37Å; I645-Y894 HydrophobicContact CD1-CD1 4.19Å; I645-Y894 HydrophobicContact CD1-CE1 3.83Å; I645-Y894 HydrophobicContact CG1-CD1 4.4Å; I645-Y894 HydrophobicContact CG1-CE1 4.1Å; L811-Y894 HydrophobicContact CB-CE2 4.44Å; L811-Y894 WeakPolarHBondContact O-CE2 3.3Å; L812-Y894 HydrophobicContact CD2-CD2 3.93Å; L812-Y894 HydrophobicContact CD2-CG 3.87Å; A816-Y894 HydrophobicContact CB-CD2 4.3Å; P891-Y894 WeakPolarHBondContact O-CB 3.33Å; P891-Y894 PolarHBondContact O-N 3.24Å; E892-Y894 PolarHBondContact O-N 3.18Å; Y894-D896 PolarHBondContact O-N 3.44Å; Y894-T897 PolarHBondContact O-N 2.97Å; Y894-T897 VanDerWaalsContact O-N 3.1Å; Y894-T897 PolarHBondContact O-OG1 2.97Å; Y894-Q898 HydrophobicContact CD1-CG 3.71Å; Y894-Q898 HydrophobicContact CE1-CG 3.48Å; Y894-Q898 VanDerWaalsContact CE1-CG 3.48Å; Y894-Q898 PolarHBondContact O-N 3.06Å |
| 895 | K | 87.6 | Confident | 86.3 | Confident | 99 Ų | 99 | 39.9 Ų | 39.9 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.6 | -31.3 | 178.4 | -66 | -175.1 | 179.8 | -171.7 | 0 | 113.4 | R642 A643 E892 L893 T897 Q898 A899 | R642-K895 WeakPolarHBondContact O-CE 3.4Å; A643-K895 WeakPolarHBondContact O-CG 3.32Å; E892-K895 WeakPolarHBondContact O-CB 3.26Å; E892-K895 PolarHBondContact O-N 2.98Å; L893-K895 VanDerWaalsContact C-N 3.32Å; K895-T897 VanDerWaalsContact C-N 3.31Å; K895-T897 PolarHBondContact O-N 2.98Å; K895-Q898 PolarHBondContact O-N 3.39Å; K895-A899 PolarHBondContact O-N 3.05Å; K895-A899 VanDerWaalsContact O-N 3.08Å |
| 896 | D | 85.6 | Confident | 86.4 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | 177.4 | -176.7 | 42.6 | 0 | 0 | 0 | 112 | Y894 A901 R1048 | Y894-D896 PolarHBondContact O-N 3.44Å; D896-A901 WeakPolarHBondContact OD1-CB 3.47Å; D896-R1048 IonicContact OD2-CZ 3.25Å; D896-R1048 IonicContact OD2-NE 2.64Å; D896-R1048 IonicContact OD2-NH1 2.72Å; D896-R1048 PolarHBondContact OD2-NH1 2.89Å |
| 897 | T | 87.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -80.4 | -34.8 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | G360 Y819 Y894 K895 A899 S900 | G360-T897 CarbonylContact O-C 3.48Å; G360-T897 WeakPolarHBondContact O-CB 3.45Å; G360-T897 PolarHBondContact O-OG1 3.16Å; Y819-T897 HydrophobicContact CD1-CG2 3.69Å; Y819-T897 HydrophobicContact CE1-CG2 4.26Å; Y894-T897 PolarHBondContact O-N 2.97Å; Y894-T897 VanDerWaalsContact O-N 3.1Å; Y894-T897 PolarHBondContact O-OG1 2.97Å; K895-T897 VanDerWaalsContact C-N 3.31Å; K895-T897 PolarHBondContact O-N 2.98Å; T897-A899 VanDerWaalsContact C-N 3.32Å; T897-A899 PolarHBondContact O-N 3.37Å; T897-S900 PolarHBondContact O-N 2.9Å; T897-S900 VanDerWaalsContact O-N 3.12Å |
| 898 | Q | 86.5 | Confident | 86.6 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 16% | 0.164 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 171.3 | -67.8 | 178 | -36.8 | 0 | 0 | 112.2 | V362 A643 G644 Y894 K895 S900 | V362-Q898 PolarHBondContact O-NE2 2.57Å; A643-Q898 PolarHBondContact O-OE1 2.84Å; G644-Q898 PolarHBondContact O-NE2 3.25Å; Y894-Q898 HydrophobicContact CD1-CG 3.71Å; Y894-Q898 HydrophobicContact CE1-CG 3.48Å; Y894-Q898 VanDerWaalsContact CE1-CG 3.48Å; Y894-Q898 PolarHBondContact O-N 3.06Å; K895-Q898 PolarHBondContact O-N 3.39Å; Q898-S900 PolarHBondContact O-N 3.04Å; Q898-S900 VanDerWaalsContact O-N 3.09Å |
| 899 | A | 80 | Confident | 86.7 | Confident | 75 Ų | 75 | 45.3 Ų | 45.3 | 62% | 0.62 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -1.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | K895 T897 A901 | K895-A899 PolarHBondContact O-N 3.05Å; K895-A899 VanDerWaalsContact O-N 3.08Å; T897-A899 VanDerWaalsContact C-N 3.32Å; T897-A899 PolarHBondContact O-N 3.37Å; A899-A901 PolarHBondContact O-N 2.96Å; A899-A901 VanDerWaalsContact O-N 3.11Å |
| 900 | S | 78.6 | Confident | 86.9 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.9 | -176.1 | -56.7 | 0 | 0 | 0 | 0 | 113.6 | Q361 Y819 T897 Q898 S902 F903 | Q361-S900 PolarHBondContact NE2-OG 3.43Å; Y819-S900 VanDerWaalsContact OH-CA 3.24Å; Y819-S900 WeakPolarHBondContact OH-CA 3.34Å; Y819-S900 WeakPolarHBondContact OH-CB 3.34Å; T897-S900 PolarHBondContact O-N 2.9Å; T897-S900 VanDerWaalsContact O-N 3.12Å; Q898-S900 PolarHBondContact O-N 3.04Å; Q898-S900 VanDerWaalsContact O-N 3.09Å; S900-S902 VanDerWaalsContact C-N 3.27Å; S900-S902 PolarHBondContact O-N 2.95Å; S900-F903 CarbonylContact O-C 3.18Å; S900-F903 PolarHBondContact O-N 3.3Å |
| 901 | A | 70.7 | Confident | 87.1 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -30.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D896 A899 N904 | D896-A901 WeakPolarHBondContact OD1-CB 3.47Å; A899-A901 PolarHBondContact O-N 2.96Å; A899-A901 VanDerWaalsContact O-N 3.11Å; A901-N904 PolarHBondContact O-ND2 3.45Å; A901-N904 VanDerWaalsContact O-ND2 3.11Å |
| 902 | S | 75.9 | Confident | 87.3 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -21.7 | 179.5 | 61.7 | 0 | 0 | 0 | 0 | 114 | Y819 S900 | Y819-S902 WeakPolarHBondContact CE1-OG 3.36Å; S900-S902 VanDerWaalsContact C-N 3.27Å; S900-S902 PolarHBondContact O-N 2.95Å |
| 903 | F | 84.4 | Confident | 87.5 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -132.3 | 77.6 | -173.6 | -162.4 | -111.9 | 0 | 0 | 0 | 110.7 | V247 Q250 Y254 T823 I826 L827 S900 | V247-F903 HydrophobicContact CG1-CD1 4.32Å; V247-F903 HydrophobicContact CG1-CE1 4.04Å; Q250-F903 HydrophobicContact CB-CD1 4.39Å; Q250-F903 HydrophobicContact CB-CE1 3.78Å; Y254-F903 HydrophobicContact CD2-CE1 4.17Å; Y254-F903 HydrophobicContact CD2-CE2 4.23Å; Y254-F903 AromaticContact CD2-CZ 3.63Å; Y254-F903 HydrophobicContact CD2-CZ 3.63Å; Y254-F903 HydrophobicContact CE2-CD1 4.27Å; Y254-F903 AromaticContact CE2-CE1 3.61Å; Y254-F903 HydrophobicContact CE2-CE1 3.61Å; Y254-F903 AromaticContact CE2-CE2 3.89Å; Y254-F903 HydrophobicContact CE2-CE2 3.89Å; Y254-F903 AromaticContact CE2-CZ 3.4Å; Y254-F903 HydrophobicContact CE2-CZ 3.4Å; T823-F903 HydrophobicContact CG2-CB 3.51Å; T823-F903 HydrophobicContact CG2-CD1 4.45Å; T823-F903 HydrophobicContact CG2-CD2 4.06Å; T823-F903 HydrophobicContact CG2-CG 3.79Å; I826-F903 HydrophobicContact CB-CE2 4.22Å; I826-F903 HydrophobicContact CD1-CZ 4.38Å; I826-F903 HydrophobicContact CG2-CE2 3.85Å; I826-F903 HydrophobicContact CG2-CZ 3.93Å; L827-F903 HydrophobicContact CD1-CD2 4.14Å; L827-F903 HydrophobicContact CD2-CD2 4.17Å; L827-F903 HydrophobicContact CD2-CE2 4.04Å; L827-F903 HydrophobicContact CG-CD2 4Å; L827-F903 HydrophobicContact CG-CE2 4.04Å; S900-F903 CarbonylContact O-C 3.18Å; S900-F903 PolarHBondContact O-N 3.3Å |
| 904 | N | 86.7 | Confident | 87.8 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -125.9 | 162.8 | 176.6 | 65.9 | 46.3 | 0 | 0 | 0 | 110.4 | A901 K906 V907 F908 | A901-N904 PolarHBondContact O-ND2 3.45Å; A901-N904 VanDerWaalsContact O-ND2 3.11Å; N904-K906 PolarHBondContact O-N 3.4Å; N904-K906 VanDerWaalsContact O-N 3.17Å; N904-K906 WeakPolarHBondContact OD1-CA 3.5Å; N904-K906 WeakPolarHBondContact OD1-CB 3.4Å; N904-K906 PolarHBondContact OD1-N 3.3Å; N904-K906 VanDerWaalsContact OD1-N 3.11Å; N904-V907 PolarHBondContact O-N 3Å; N904-V907 VanDerWaalsContact O-N 3.15Å; N904-V907 VanDerWaalsContact OD1-CG2 3.29Å; N904-V907 WeakPolarHBondContact OD1-CG2 3.38Å; N904-V907 PolarHBondContact OD1-N 2.98Å; N904-F908 PolarHBondContact O-N 3.05Å |
| 905 | P | 88.8 | Confident | 88 | Confident | 74 Ų | 74 | 50 Ų | 50 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.7 | -32.6 | -179 | -26.3 | 34.5 | 0 | 0 | 0 | 113.5 | Y254 F908 F909 | Y254-P905 HydrophobicContact CE1-CB 4.47Å; Y254-P905 HydrophobicContact CE1-CG 4.4Å; Y254-P905 WeakPolarHBondContact OH-CA 3.23Å; Y254-P905 WeakPolarHBondContact OH-CD 3.35Å; Y254-P905 VanDerWaalsContact OH-N 3.12Å; P905-F908 PolarHBondContact O-N 3.11Å; P905-F909 WeakPolarHBondContact O-CD2 3.24Å; P905-F909 PolarHBondContact O-N 3.46Å |
| 906 | K | 91.3 | Very high | 88.3 | Confident | 179 Ų | 179 | 48 Ų | 48 | 78% | 0.778 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 178.8 | -61.9 | -178.7 | 179.3 | 178.5 | 0 | 111.5 | N904 C910 | N904-K906 PolarHBondContact O-N 3.4Å; N904-K906 VanDerWaalsContact O-N 3.17Å; N904-K906 WeakPolarHBondContact OD1-CA 3.5Å; N904-K906 WeakPolarHBondContact OD1-CB 3.4Å; N904-K906 PolarHBondContact OD1-N 3.3Å; N904-K906 VanDerWaalsContact OD1-N 3.11Å; K906-C910 WeakPolarHBondContact O-CB 3.4Å; K906-C910 PolarHBondContact O-N 3.39Å |
| 907 | V | 91.2 | Very high | 88.8 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 24% | 0.242 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 109 | L827 N904 F909 C910 W911 | L827-V907 HydrophobicContact CD1-CG1 3.75Å; N904-V907 PolarHBondContact O-N 3Å; N904-V907 VanDerWaalsContact O-N 3.15Å; N904-V907 VanDerWaalsContact OD1-CG2 3.29Å; N904-V907 WeakPolarHBondContact OD1-CG2 3.38Å; N904-V907 PolarHBondContact OD1-N 2.98Å; V907-F909 PolarHBondContact O-N 2.75Å; V907-C910 VanDerWaalsContact O-CB 3.3Å; V907-C910 WeakPolarHBondContact O-CB 3.41Å; V907-C910 PolarHBondContact O-N 3.39Å; V907-C910 VanDerWaalsContact O-N 3.07Å; V907-W911 VanDerWaalsContact O-CD1 3.24Å; V907-W911 PolarHBondContact O-N 3.46Å |
| 908 | F | 92.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -51.7 | -54.2 | 176.1 | 170.7 | -102.6 | 0 | 0 | 0 | 112.4 | Y254 L258 L827 F830 N904 P905 C910 W911 I912 | Y254-F908 HydrophobicContact CD1-CD1 4.02Å; Y254-F908 HydrophobicContact CD1-CD2 4.37Å; Y254-F908 HydrophobicContact CD1-CE1 4.31Å; Y254-F908 HydrophobicContact CD1-CG 4.05Å; Y254-F908 HydrophobicContact CD2-CB 4.46Å; Y254-F908 AromaticContact CD2-CD2 3.95Å; Y254-F908 HydrophobicContact CD2-CD2 3.95Å; Y254-F908 HydrophobicContact CD2-CE2 4.47Å; Y254-F908 HydrophobicContact CD2-CG 4.2Å; Y254-F908 HydrophobicContact CE1-CB 4.27Å; Y254-F908 HydrophobicContact CE1-CD1 4.33Å; Y254-F908 HydrophobicContact CE1-CG 4.25Å; Y254-F908 HydrophobicContact CE2-CB 4.15Å; Y254-F908 HydrophobicContact CE2-CD2 4.46Å; Y254-F908 HydrophobicContact CE2-CG 4.36Å; Y254-F908 HydrophobicContact CG-CD1 4.36Å; Y254-F908 AromaticContact CG-CD2 3.91Å; Y254-F908 HydrophobicContact CG-CD2 3.91Å; Y254-F908 HydrophobicContact CG-CE2 4.1Å; Y254-F908 HydrophobicContact CG-CG 4.05Å; Y254-F908 HydrophobicContact CG-CZ 4.4Å; L258-F908 HydrophobicContact CD2-CZ 4.26Å; L258-F908 HydrophobicContact CG-CZ 4.17Å; L827-F908 HydrophobicContact CD2-CB 4.33Å; L827-F908 HydrophobicContact CD2-CD2 4.4Å; F830-F908 HydrophobicContact CD2-CD2 4.18Å; F830-F908 AromaticContact CD2-CE2 3.79Å; F830-F908 HydrophobicContact CD2-CE2 3.79Å; F830-F908 HydrophobicContact CE2-CE2 4.2Å; F830-F908 HydrophobicContact CG-CE2 4.3Å; N904-F908 PolarHBondContact O-N 3.05Å; P905-F908 PolarHBondContact O-N 3.11Å; F908-C910 VanDerWaalsContact C-N 3.29Å; F908-C910 PolarHBondContact O-N 3.21Å; F908-W911 PolarHBondContact O-N 3.22Å; F908-W911 VanDerWaalsContact O-N 3.13Å; F908-I912 HydrophobicContact CD1-CG1 4.45Å; F908-I912 HydrophobicContact CD2-CG1 4.43Å; F908-I912 HydrophobicContact CE1-CG1 4Å; F908-I912 HydrophobicContact CE2-CD1 4Å; F908-I912 HydrophobicContact CE2-CG1 3.97Å; F908-I912 HydrophobicContact CZ-CD1 3.99Å; F908-I912 HydrophobicContact CZ-CG1 3.74Å; F908-I912 WeakPolarHBondContact O-CG1 3.34Å; F908-I912 PolarHBondContact O-N 2.96Å |
| 909 | F | 93.6 | Very high | 89.7 | Confident | 93 Ų | 93 | 48.5 Ų | 48.5 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -34.4 | 178.3 | -76.9 | -66.3 | 0 | 0 | 0 | 112.9 | P905 V907 W911 I912 F913 | P905-F909 WeakPolarHBondContact O-CD2 3.24Å; P905-F909 PolarHBondContact O-N 3.46Å; V907-F909 PolarHBondContact O-N 2.75Å; F909-W911 VanDerWaalsContact C-N 3.32Å; F909-W911 PolarHBondContact O-N 3.43Å; F909-I912 PolarHBondContact O-N 3.34Å; F909-F913 HydrophobicContact CB-CD2 4.34Å; F909-F913 HydrophobicContact CB-CE2 4.12Å; F909-F913 WeakPolarHBondContact O-CD2 3.38Å; F909-F913 PolarHBondContact O-N 3.34Å |
| 910 | C | 93.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 174.1 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | K906 V907 F908 N914 | K906-C910 WeakPolarHBondContact O-CB 3.4Å; K906-C910 PolarHBondContact O-N 3.39Å; V907-C910 VanDerWaalsContact O-CB 3.3Å; V907-C910 WeakPolarHBondContact O-CB 3.41Å; V907-C910 PolarHBondContact O-N 3.39Å; V907-C910 VanDerWaalsContact O-N 3.07Å; F908-C910 VanDerWaalsContact C-N 3.29Å; F908-C910 PolarHBondContact O-N 3.21Å; C910-N914 WeakPolarHBondContact O-CB 3.29Å; C910-N914 PolarHBondContact O-N 3.15Å |
| 911 | W | 94.6 | Very high | 91.2 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 174.6 | -79.5 | 89.3 | 0 | 0 | 0 | 112.6 | L827 Y831 V907 F908 F909 N914 S915 E966 | L827-W911 HydrophobicContact CB-CD2 4.07Å; L827-W911 HydrophobicContact CB-CG 4.17Å; L827-W911 HydrophobicContact CB-CZ2 4.37Å; L827-W911 HydrophobicContact CD2-CG 4.42Å; Y831-W911 HydrophobicContact CD1-CZ3 4.5Å; Y831-W911 HydrophobicContact CD2-CE3 4.26Å; Y831-W911 AromaticContact CG-CE3 3.95Å; Y831-W911 HydrophobicContact CG-CE3 3.95Å; Y831-W911 HydrophobicContact CG-CZ3 4.26Å; V907-W911 VanDerWaalsContact O-CD1 3.24Å; V907-W911 PolarHBondContact O-N 3.46Å; F908-W911 PolarHBondContact O-N 3.22Å; F908-W911 VanDerWaalsContact O-N 3.13Å; F909-W911 VanDerWaalsContact C-N 3.32Å; F909-W911 PolarHBondContact O-N 3.43Å; W911-N914 WeakPolarHBondContact O-CB 3.23Å; W911-N914 PolarHBondContact O-N 3.17Å; W911-S915 PolarHBondContact O-N 2.91Å; W911-E966 HydrophobicContact CH2-CG 3.67Å; W911-E966 HydrophobicContact CZ2-CG 4.47Å; W911-E966 HydrophobicContact CZ3-CG 4.46Å |
| 912 | I | 94 | Very high | 92.4 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -48.9 | 175.6 | -62.3 | -58.5 | 0 | 0 | 0 | 110.8 | L258 F830 V834 F908 F909 N914 S915 I916 | L258-I912 HydrophobicContact CD2-CD1 3.93Å; F830-I912 HydrophobicContact CB-CD1 4.44Å; V834-I912 HydrophobicContact CG2-CD1 4.03Å; F908-I912 HydrophobicContact CD1-CG1 4.45Å; F908-I912 HydrophobicContact CD2-CG1 4.43Å; F908-I912 HydrophobicContact CE1-CG1 4Å; F908-I912 HydrophobicContact CE2-CD1 4Å; F908-I912 HydrophobicContact CE2-CG1 3.97Å; F908-I912 HydrophobicContact CZ-CD1 3.99Å; F908-I912 HydrophobicContact CZ-CG1 3.74Å; F908-I912 WeakPolarHBondContact O-CG1 3.34Å; F908-I912 PolarHBondContact O-N 2.96Å; F909-I912 PolarHBondContact O-N 3.34Å; I912-N914 PolarHBondContact O-N 3.11Å; I912-S915 WeakPolarHBondContact O-CB 3.43Å; I912-S915 PolarHBondContact O-N 2.85Å; I912-S915 PolarHBondContact O-OG 3.04Å; I912-I916 HydrophobicContact CG2-CD1 4.2Å; I912-I916 WeakPolarHBondContact O-CG1 3.18Å; I912-I916 PolarHBondContact O-N 3.32Å |
| 913 | F | 94.8 | Very high | 93.3 | Very high | 139 Ų | 139 | 43 Ų | 43 | 61% | 0.61 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -60.1 | -35.7 | 175.5 | -72.1 | -57.5 | 0 | 0 | 0 | 112.3 | F909 I916 Y917 | F909-F913 HydrophobicContact CB-CD2 4.34Å; F909-F913 HydrophobicContact CB-CE2 4.12Å; F909-F913 WeakPolarHBondContact O-CD2 3.38Å; F909-F913 PolarHBondContact O-N 3.34Å; F913-I916 HydrophobicContact CD1-CD1 4.15Å; F913-I916 PolarHBondContact O-N 2.71Å; F913-Y917 PolarHBondContact O-N 3.02Å |
| 914 | N | 94.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 173.3 | -160.8 | 34.9 | 0 | 0 | 0 | 112.3 | Y831 C910 W911 I912 I916 Y917 H918 R1032 D1033 | Y831-N914 HydrophobicContact CD2-CB 4.49Å; Y831-N914 HydrophobicContact CE2-CB 4.42Å; C910-N914 WeakPolarHBondContact O-CB 3.29Å; C910-N914 PolarHBondContact O-N 3.15Å; W911-N914 WeakPolarHBondContact O-CB 3.23Å; W911-N914 PolarHBondContact O-N 3.17Å; I912-N914 PolarHBondContact O-N 3.11Å; N914-I916 VanDerWaalsContact C-N 3.33Å; N914-I916 PolarHBondContact O-N 2.78Å; N914-Y917 PolarHBondContact O-N 2.83Å; N914-H918 PolarHBondContact O-CD2 3.47Å; N914-H918 PolarHBondContact O-N 2.69Å; N914-H918 PolarHBondContact OD1-CD2 3.44Å; N914-H918 PolarHBondContact OD1-NE2 2.73Å; N914-R1032 PolarHBondContact OD1-NH1 3.27Å; N914-D1033 PolarHBondContact ND2-OD1 3.02Å; N914-D1033 VanDerWaalsContact ND2-OD1 3.08Å; N914-D1033 PolarHBondContact ND2-OD2 3.41Å; N914-D1033 PolarHBondContact OD1-OD1 3.1Å |
| 915 | S | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -36.9 | 175.9 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | Y831 V834 W911 I912 H918 S919 | Y831-S915 WeakPolarHBondContact O-CB 3.38Å; V834-S915 WeakPolarHBondContact CB-OG 3.43Å; V834-S915 WeakPolarHBondContact CG1-OG 3.2Å; W911-S915 PolarHBondContact O-N 2.91Å; I912-S915 WeakPolarHBondContact O-CB 3.43Å; I912-S915 PolarHBondContact O-N 2.85Å; I912-S915 PolarHBondContact O-OG 3.04Å; S915-H918 PolarHBondContact O-N 3.39Å; S915-S919 VanDerWaalsContact O-CB 3.32Å; S915-S919 WeakPolarHBondContact O-CB 3.41Å; S915-S919 PolarHBondContact O-N 3.26Å; S915-S919 PolarHBondContact O-OG 3.36Å |
| 916 | I | 94.8 | Very high | 94.3 | Very high | 59 Ų | 59 | 44 Ų | 44 | 30% | 0.303 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63 | -47.2 | 174.5 | -63.4 | 168.7 | 0 | 0 | 0 | 109.6 | L838 W842 I912 F913 N914 S919 S920 | L838-I916 HydrophobicContact CD2-CB 4.01Å; L838-I916 HydrophobicContact CD2-CG1 3.67Å; L838-I916 HydrophobicContact CD2-CG2 3.96Å; W842-I916 HydrophobicContact CZ2-CG2 4.31Å; I912-I916 HydrophobicContact CG2-CD1 4.2Å; I912-I916 WeakPolarHBondContact O-CG1 3.18Å; I912-I916 PolarHBondContact O-N 3.32Å; F913-I916 HydrophobicContact CD1-CD1 4.15Å; F913-I916 PolarHBondContact O-N 2.71Å; N914-I916 VanDerWaalsContact C-N 3.33Å; N914-I916 PolarHBondContact O-N 2.78Å; I916-S919 PolarHBondContact O-N 2.84Å; I916-S919 PolarHBondContact O-OG 3.44Å; I916-S920 PolarHBondContact O-N 3.18Å; I916-S920 VanDerWaalsContact O-N 3.08Å; I916-S920 PolarHBondContact O-OG 3.34Å |
| 917 | Y | 95.5 | Very high | 94.3 | Very high | 91 Ų | 91 | 37.4 Ų | 37.4 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.3 | -46 | 176.9 | 175.7 | -108.6 | 0 | 0 | 0 | 112.8 | F913 N914 S920 L921 R1032 | F913-Y917 PolarHBondContact O-N 3.02Å; N914-Y917 PolarHBondContact O-N 2.83Å; Y917-S920 PolarHBondContact O-OG 3.01Å; Y917-L921 HydrophobicContact CD1-CD1 4.33Å; Y917-L921 HydrophobicContact CD2-CD1 4.5Å; Y917-L921 HydrophobicContact CE1-CD1 3.68Å; Y917-L921 HydrophobicContact CE2-CD1 3.89Å; Y917-L921 HydrophobicContact CE2-CG 4.3Å; Y917-L921 VanDerWaalsContact CZ-CD1 3.44Å; Y917-L921 WeakPolarHBondContact O-CG 3.26Å; Y917-L921 PolarHBondContact O-N 2.89Å; Y917-R1032 HydrophobicContact CE1-CB 3.83Å; Y917-R1032 HydrophobicContact CE1-CG 4.07Å |
| 918 | H | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 177.8 | -78.6 | -130.6 | 0 | 0 | 0 | 111.5 | Y831 N914 S915 S920 L921 L922 D1033 | Y831-H918 AromaticContact CZ-ND1 3.95Å; Y831-H918 PolarHBondContact OH-CE1 3.25Å; Y831-H918 PolarHBondContact OH-ND1 2.91Å; N914-H918 PolarHBondContact O-CD2 3.47Å; N914-H918 PolarHBondContact O-N 2.69Å; N914-H918 PolarHBondContact OD1-CD2 3.44Å; N914-H918 PolarHBondContact OD1-NE2 2.73Å; S915-H918 PolarHBondContact O-N 3.39Å; H918-S920 VanDerWaalsContact C-N 3.29Å; H918-S920 PolarHBondContact O-N 2.91Å; H918-L921 PolarHBondContact O-N 3.4Å; H918-L922 HydrophobicContact CB-CD1 4.26Å; H918-L922 VanDerWaalsContact O-CB 3.27Å; H918-L922 WeakPolarHBondContact O-CB 3.22Å; H918-L922 WeakPolarHBondContact O-CD1 3.28Å; H918-L922 WeakPolarHBondContact O-CG 3.44Å; H918-L922 PolarHBondContact O-N 3.23Å; H918-D1033 IonicContact CE1-OD2 3.75Å; H918-D1033 PolarHBondContact CE1-OD2 3.03Å; H918-D1033 IonicContact NE2-OD2 2.71Å; H918-D1033 PolarHBondContact NE2-OD2 3.08Å |
| 919 | S | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -35.3 | -178.8 | 71.2 | 0 | 0 | 0 | 0 | 113 | C835 L838 W842 S915 I916 F923 | C835-S919 WeakPolarHBondContact O-CB 3.26Å; L838-S919 WeakPolarHBondContact CD2-OG 3.43Å; W842-S919 PolarHBondContact NE1-OG 2.97Å; W842-S919 VanDerWaalsContact NE1-OG 3.09Å; S915-S919 VanDerWaalsContact O-CB 3.32Å; S915-S919 WeakPolarHBondContact O-CB 3.41Å; S915-S919 PolarHBondContact O-N 3.26Å; S915-S919 PolarHBondContact O-OG 3.36Å; I916-S919 PolarHBondContact O-N 2.84Å; I916-S919 PolarHBondContact O-OG 3.44Å; S919-F923 WeakPolarHBondContact O-CB 3.08Å; S919-F923 PolarHBondContact O-N 3.2Å |
| 920 | S | 95 | Very high | 93.9 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 22% | 0.217 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.7 | -46.6 | 179 | 66.8 | 0 | 0 | 0 | 0 | 111 | I916 Y917 H918 L922 F923 W924 | I916-S920 PolarHBondContact O-N 3.18Å; I916-S920 VanDerWaalsContact O-N 3.08Å; I916-S920 PolarHBondContact O-OG 3.34Å; Y917-S920 PolarHBondContact O-OG 3.01Å; H918-S920 VanDerWaalsContact C-N 3.29Å; H918-S920 PolarHBondContact O-N 2.91Å; S920-L922 PolarHBondContact O-N 2.94Å; S920-F923 PolarHBondContact O-N 2.95Å; S920-W924 WeakPolarHBondContact O-CB 3.49Å; S920-W924 PolarHBondContact O-N 3.07Å |
| 921 | L | 95.5 | Very high | 93.5 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 17% | 0.173 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 175.6 | -66.1 | 179.6 | 0 | 0 | 0 | 112 | Y917 H918 F923 I925 I1028 A1029 | Y917-L921 HydrophobicContact CD1-CD1 4.33Å; Y917-L921 HydrophobicContact CD2-CD1 4.5Å; Y917-L921 HydrophobicContact CE1-CD1 3.68Å; Y917-L921 HydrophobicContact CE2-CD1 3.89Å; Y917-L921 HydrophobicContact CE2-CG 4.3Å; Y917-L921 VanDerWaalsContact CZ-CD1 3.44Å; Y917-L921 WeakPolarHBondContact O-CG 3.26Å; Y917-L921 PolarHBondContact O-N 2.89Å; H918-L921 PolarHBondContact O-N 3.4Å; L921-F923 PolarHBondContact O-N 2.83Å; L921-I925 HydrophobicContact CB-CD1 4.18Å; L921-I925 HydrophobicContact CD2-CD1 4Å; L921-I925 WeakPolarHBondContact O-CB 3.45Å; L921-I925 WeakPolarHBondContact O-CG1 3.44Å; L921-I925 PolarHBondContact O-N 3.41Å; L921-I1028 HydrophobicContact CD1-CG2 4.46Å; L921-A1029 HydrophobicContact CD1-CB 4.39Å |
| 922 | L | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -17.3 | -178.4 | -71.7 | 166.4 | 0 | 0 | 0 | 113.4 | I839 H918 S920 P926 V955 T958 I1025 | I839-L922 HydrophobicContact CD1-CB 4.2Å; H918-L922 HydrophobicContact CB-CD1 4.26Å; H918-L922 VanDerWaalsContact O-CB 3.27Å; H918-L922 WeakPolarHBondContact O-CB 3.22Å; H918-L922 WeakPolarHBondContact O-CD1 3.28Å; H918-L922 WeakPolarHBondContact O-CG 3.44Å; H918-L922 PolarHBondContact O-N 3.23Å; S920-L922 PolarHBondContact O-N 2.94Å; L922-P926 WeakPolarHBondContact O-CD 3.27Å; L922-P926 WeakPolarHBondContact O-CG 3.39Å; L922-V955 HydrophobicContact CB-CG2 4.21Å; L922-V955 HydrophobicContact CD1-CG2 3.96Å; L922-T958 HydrophobicContact CD1-CG2 4.2Å; L922-T958 WeakPolarHBondContact CD2-OG1 3.37Å; L922-I1025 HydrophobicContact CD2-CG2 3.86Å |
| 923 | F | 95 | Very high | 91.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -101.1 | -52.7 | 176.2 | 179.9 | -107.7 | 0 | 0 | 0 | 112.9 | I839 W842 F843 L846 S919 S920 L921 P926 L927 | I839-F923 HydrophobicContact CG1-CB 4.35Å; I839-F923 HydrophobicContact CG2-CB 4.08Å; I839-F923 HydrophobicContact CG2-CD2 3.57Å; I839-F923 HydrophobicContact CG2-CE2 4.37Å; I839-F923 HydrophobicContact CG2-CG 4.11Å; W842-F923 HydrophobicContact CB-CB 4.36Å; W842-F923 HydrophobicContact CB-CD1 3.29Å; W842-F923 HydrophobicContact CB-CE1 3.61Å; W842-F923 HydrophobicContact CB-CG 3.85Å; W842-F923 HydrophobicContact CB-CZ 4.4Å; W842-F923 HydrophobicContact CG-CD1 4.17Å; F843-F923 HydrophobicContact CB-CE2 3.86Å; F843-F923 HydrophobicContact CB-CZ 3.79Å; F843-F923 HydrophobicContact CD2-CE2 4.21Å; F843-F923 HydrophobicContact CD2-CZ 4.08Å; F843-F923 HydrophobicContact CG-CZ 4.46Å; L846-F923 HydrophobicContact CD1-CE1 3.88Å; L846-F923 HydrophobicContact CD1-CZ 3.71Å; S919-F923 WeakPolarHBondContact O-CB 3.08Å; S919-F923 PolarHBondContact O-N 3.2Å; S920-F923 PolarHBondContact O-N 2.95Å; L921-F923 PolarHBondContact O-N 2.83Å; F923-P926 WeakPolarHBondContact O-CD 3.38Å; F923-L927 HydrophobicContact CE1-CD2 4.27Å; F923-L927 WeakPolarHBondContact O-CB 3.26Å; F923-L927 PolarHBondContact O-N 3.48Å; F923-L927 VanDerWaalsContact O-N 3.08Å |
| 924 | W | 94.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 42.8 Ų | 42.8 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.1 | -35.1 | -171.9 | -69.7 | 108.9 | 0 | 0 | 0 | 112.7 | L846 S920 L927 L928 | L846-W924 HydrophobicContact CD1-CZ3 4.47Å; L846-W924 HydrophobicContact CD2-CH2 4.08Å; L846-W924 HydrophobicContact CD2-CZ3 4.23Å; L846-W924 HydrophobicContact CG-CH2 4.46Å; S920-W924 WeakPolarHBondContact O-CB 3.49Å; S920-W924 PolarHBondContact O-N 3.07Å; W924-L927 HydrophobicContact CE3-CD2 3.7Å; W924-L927 HydrophobicContact CZ3-CD2 3.71Å; W924-L927 PolarHBondContact O-N 2.81Å; W924-L928 VanDerWaalsContact O-CG 3.28Å; W924-L928 WeakPolarHBondContact O-CG 3.44Å; W924-L928 PolarHBondContact O-N 3.13Å |
| 925 | I | 94.4 | Very high | 89.8 | Confident | 53 Ų | 53 | 43.1 Ų | 43.1 | 27% | 0.272 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.6 | -50.6 | 178.5 | -60.4 | 173.1 | 0 | 0 | 0 | 111.2 | L921 L927 L928 A929 I1025 I1028 | L921-I925 HydrophobicContact CB-CD1 4.18Å; L921-I925 HydrophobicContact CD2-CD1 4Å; L921-I925 WeakPolarHBondContact O-CB 3.45Å; L921-I925 WeakPolarHBondContact O-CG1 3.44Å; L921-I925 PolarHBondContact O-N 3.41Å; I925-L927 VanDerWaalsContact C-N 3.33Å; I925-L927 PolarHBondContact O-N 3.35Å; I925-L928 PolarHBondContact O-N 3.27Å; I925-A929 PolarHBondContact O-N 3.37Å; I925-I1025 HydrophobicContact CB-CD1 4.36Å; I925-I1025 HydrophobicContact CG2-CD1 3.81Å; I925-I1025 HydrophobicContact CG2-CG1 3.86Å; I925-I1028 HydrophobicContact CD1-CG2 4.38Å |
| 926 | P | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 172.7 | -28.1 | 37.3 | 0 | 0 | 0 | 112.9 | L922 F923 L928 A929 F930 L947 V951 Y954 I1025 | L922-P926 WeakPolarHBondContact O-CD 3.27Å; L922-P926 WeakPolarHBondContact O-CG 3.39Å; F923-P926 WeakPolarHBondContact O-CD 3.38Å; P926-L928 VanDerWaalsContact C-N 3.3Å; P926-L928 PolarHBondContact O-N 3.02Å; P926-A929 WeakPolarHBondContact O-CB 3.49Å; P926-A929 PolarHBondContact O-N 2.83Å; P926-A929 VanDerWaalsContact O-N 3.07Å; P926-F930 VanDerWaalsContact O-CD2 3.28Å; P926-F930 WeakPolarHBondContact O-CD2 3.38Å; P926-F930 PolarHBondContact O-N 3.42Å; P926-L947 HydrophobicContact CB-CD1 4.12Å; P926-V951 HydrophobicContact CB-CG2 3.7Å; P926-V951 HydrophobicContact CG-CG2 3.97Å; P926-Y954 HydrophobicContact CB-CD2 4.39Å; P926-Y954 HydrophobicContact CB-CE2 4.06Å; P926-Y954 HydrophobicContact CG-CD2 3.58Å; P926-Y954 HydrophobicContact CG-CE2 3.66Å; P926-I1025 HydrophobicContact CB-CD1 4.5Å; P926-I1025 HydrophobicContact CG-CD1 3.61Å |
| 927 | L | 91.9 | Very high | 88.5 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57 | -44.9 | 179.5 | -177.4 | 75 | 0 | 0 | 0 | 112 | L846 F923 W924 I925 F930 S931 L947 | L846-L927 HydrophobicContact CD1-CD1 4.03Å; L846-L927 HydrophobicContact CD1-CD2 3.37Å; L846-L927 HydrophobicContact CD1-CG 4.35Å; F923-L927 HydrophobicContact CE1-CD2 4.27Å; F923-L927 WeakPolarHBondContact O-CB 3.26Å; F923-L927 PolarHBondContact O-N 3.48Å; F923-L927 VanDerWaalsContact O-N 3.08Å; W924-L927 HydrophobicContact CE3-CD2 3.7Å; W924-L927 HydrophobicContact CZ3-CD2 3.71Å; W924-L927 PolarHBondContact O-N 2.81Å; I925-L927 VanDerWaalsContact C-N 3.33Å; I925-L927 PolarHBondContact O-N 3.35Å; L927-F930 PolarHBondContact O-N 3.08Å; L927-S931 PolarHBondContact O-N 3.42Å; L927-S931 VanDerWaalsContact O-N 3.13Å; L927-L947 HydrophobicContact CD1-CD2 3.91Å |
| 928 | L | 91.8 | Very high | 87.9 | Confident | 121 Ų | 121 | 48 Ų | 48 | 63% | 0.634 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 175.7 | -71.1 | 170 | 0 | 0 | 0 | 111.6 | W924 I925 P926 F930 S931 | W924-L928 VanDerWaalsContact O-CG 3.28Å; W924-L928 WeakPolarHBondContact O-CG 3.44Å; W924-L928 PolarHBondContact O-N 3.13Å; I925-L928 PolarHBondContact O-N 3.27Å; P926-L928 VanDerWaalsContact C-N 3.3Å; P926-L928 PolarHBondContact O-N 3.02Å; L928-F930 PolarHBondContact O-N 3.16Å; L928-S931 WeakPolarHBondContact O-CB 3.43Å; L928-S931 PolarHBondContact O-N 3.43Å; L928-S931 PolarHBondContact O-OG 2.94Å |
| 929 | A | 89.1 | Confident | 87.2 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I925 P926 S931 I1017 | I925-A929 PolarHBondContact O-N 3.37Å; P926-A929 WeakPolarHBondContact O-CB 3.49Å; P926-A929 PolarHBondContact O-N 2.83Å; P926-A929 VanDerWaalsContact O-N 3.07Å; A929-S931 VanDerWaalsContact C-N 3.32Å; A929-I1017 HydrophobicContact CB-CG2 3.85Å |
| 930 | F | 87.7 | Confident | 86.6 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 0.1 | 177.6 | -79.3 | -89.3 | 0 | 0 | 0 | 113.7 | P926 L927 L928 V932 V935 V946 L947 S950 I1017 | P926-F930 VanDerWaalsContact O-CD2 3.28Å; P926-F930 WeakPolarHBondContact O-CD2 3.38Å; P926-F930 PolarHBondContact O-N 3.42Å; L927-F930 PolarHBondContact O-N 3.08Å; L928-F930 PolarHBondContact O-N 3.16Å; F930-V932 PolarHBondContact O-N 3.39Å; F930-V935 HydrophobicContact CD1-CG1 4.13Å; F930-V935 HydrophobicContact CD1-CG2 4.09Å; F930-V935 HydrophobicContact CE1-CG1 3.96Å; F930-V946 HydrophobicContact CE1-CG1 4.03Å; F930-L947 HydrophobicContact CB-CD1 4.14Å; F930-L947 HydrophobicContact CD2-CD1 3.71Å; F930-L947 HydrophobicContact CE2-CD1 4.37Å; F930-L947 HydrophobicContact CG-CD1 4.03Å; F930-S950 WeakPolarHBondContact CZ-OG 3.49Å; F930-I1017 HydrophobicContact CD2-CG2 4.37Å; F930-I1017 HydrophobicContact CE2-CG2 4.19Å; F930-I1017 HydrophobicContact CZ-CG2 4.4Å |
| 931 | S | 84.3 | Confident | 86.1 | Confident | 88 Ų | 88 | 59.3 Ų | 59.3 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.1 | 178.5 | 69.8 | 0 | 0 | 0 | 0 | 113.8 | L927 L928 A929 G933 | L927-S931 PolarHBondContact O-N 3.42Å; L927-S931 VanDerWaalsContact O-N 3.13Å; L928-S931 WeakPolarHBondContact O-CB 3.43Å; L928-S931 PolarHBondContact O-N 3.43Å; L928-S931 PolarHBondContact O-OG 2.94Å; A929-S931 VanDerWaalsContact C-N 3.32Å; S931-G933 PolarHBondContact O-N 3.23Å |
| 932 | V | 75.9 | Confident | 85.4 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -72.9 | 117.2 | 175 | -173.9 | 0 | 0 | 0 | 0 | 109 | F930 T934 V935 | F930-V932 PolarHBondContact O-N 3.39Å; V932-T934 PolarHBondContact O-N 3.16Å; V932-T934 VanDerWaalsContact O-N 3.08Å; V932-V935 WeakPolarHBondContact O-CG2 3.44Å |
| 933 | G | 69.7 | Low | 84.9 | Confident | 56 Ų | 56 | 62 Ų | 62 | 58% | 0.577 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -57.3 | -28 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S931 T941 | S931-G933 PolarHBondContact O-N 3.23Å; G933-T941 VanDerWaalsContact O-CG2 3.28Å; G933-T941 WeakPolarHBondContact O-CG2 3.32Å |
| 934 | T | 77.4 | Confident | 84.6 | Confident | 90 Ų | 90 | 65 Ų | 65 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | trans | -112.9 | 97.9 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | V932 | V932-T934 PolarHBondContact O-N 3.16Å; V932-T934 VanDerWaalsContact O-N 3.08Å | ||
| 935 | V | 78.5 | Confident | 84.4 | Confident | 13 Ų | 13 | 63 Ų | 63 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | trans | -88.4 | -28.1 | -175.4 | 174.4 | 0 | 0 | 0 | 0 | 112 | F930 V932 Q940 C1015 I1017 | F930-V935 HydrophobicContact CD1-CG1 4.13Å; F930-V935 HydrophobicContact CD1-CG2 4.09Å; F930-V935 HydrophobicContact CE1-CG1 3.96Å; V932-V935 WeakPolarHBondContact O-CG2 3.44Å; V935-Q940 PolarHBondContact N-O 3.47Å; V935-C1015 HydrophobicContact CG1-CB 4.5Å; V935-C1015 WeakPolarHBondContact CG1-SG 3.49Å; V935-I1017 HydrophobicContact CB-CD1 4.42Å; V935-I1017 HydrophobicContact CG1-CB 4.48Å; V935-I1017 HydrophobicContact CG1-CD1 3.9Å; V935-I1017 HydrophobicContact CG1-CG1 4.25Å; V935-I1017 HydrophobicContact CG2-CD1 4.29Å | ||
| 936 | Y | 82.5 | Confident | 84.2 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 12% | 0.118 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -100.7 | 147.2 | -177.9 | -60.8 | -79.5 | 0 | 0 | 0 | 111.7 | N938 G939 Q940 A1011 C1015 | Y936-N938 WeakPolarHBondContact CB-OD1 3.49Å; Y936-N938 PolarHBondContact O-N 3.44Å; Y936-N938 VanDerWaalsContact O-N 3.13Å; Y936-G939 PolarHBondContact O-N 3.4Å; Y936-Q940 HydrophobicContact CD2-CB 3.8Å; Y936-Q940 WeakPolarHBondContact CD2-O 3.36Å; Y936-Q940 HydrophobicContact CG-CB 4.35Å; Y936-A1011 WeakPolarHBondContact CE1-O 3.48Å; Y936-A1011 PolarHBondContact OH-O 3.02Å; Y936-C1015 HydrophobicContact CE1-CB 3.87Å |
| 937 | A | 79.7 | Confident | 84.2 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 99% | 0.992 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G939 | A937-G939 VanDerWaalsContact C-N 3.31Š|
| 938 | N | 82.4 | Confident | 84.2 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.9 | 176.2 | 66 | 1.3 | 0 | 0 | 0 | 113.6 | Y936 Q940 | Y936-N938 WeakPolarHBondContact CB-OD1 3.49Å; Y936-N938 PolarHBondContact O-N 3.44Å; Y936-N938 VanDerWaalsContact O-N 3.13Å; N938-Q940 PolarHBondContact ND2-OE1 2.85Å; N938-Q940 WeakPolarHBondContact OD1-CB 3.46Å; N938-Q940 WeakPolarHBondContact OD1-CG 3.35Å; N938-Q940 PolarHBondContact OD1-N 2.67Å; N938-Q940 VanDerWaalsContact OD1-N 3.08Å |
| 939 | G | 81.2 | Confident | 84.3 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 82.3 | 5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y936 A937 | Y936-G939 PolarHBondContact O-N 3.4Å; A937-G939 VanDerWaalsContact C-N 3.31Å |
| 940 | Q | 84 | Confident | 84.5 | Confident | 116 Ų | 116 | 52.3 Ų | 52.3 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -71 | 151.6 | 175.2 | -68.6 | 176.5 | -21.4 | 0 | 0 | 111.6 | V935 Y936 N938 | V935-Q940 PolarHBondContact N-O 3.47Å; Y936-Q940 HydrophobicContact CD2-CB 3.8Å; Y936-Q940 WeakPolarHBondContact CD2-O 3.36Å; Y936-Q940 HydrophobicContact CG-CB 4.35Å; N938-Q940 PolarHBondContact ND2-OE1 2.85Å; N938-Q940 WeakPolarHBondContact OD1-CB 3.46Å; N938-Q940 WeakPolarHBondContact OD1-CG 3.35Å; N938-Q940 PolarHBondContact OD1-N 2.67Å; N938-Q940 VanDerWaalsContact OD1-N 3.08Å |
| 941 | T | 83.7 | Confident | 84.9 | Confident | 106 Ų | 106 | 51.5 Ų | 51.5 | 65% | 0.65 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -90.8 | 152.9 | 175.1 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | G933 | G933-T941 VanDerWaalsContact O-CG2 3.28Å; G933-T941 WeakPolarHBondContact O-CG2 3.32Å |
| 942 | S | 82.1 | Confident | 85.4 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 140.7 | 174.7 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 943 | S | 85.7 | Confident | 86.3 | Confident | 57 Ų | 57 | 43.5 Ų | 43.5 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 164 | 171.5 | 73 | 0 | 0 | 0 | 0 | 112.1 | L945 V946 L947 | S943-L945 PolarHBondContact O-N 3.32Å; S943-V946 PolarHBondContact O-N 3.3Å; S943-V946 VanDerWaalsContact O-N 3.1Å; S943-V946 PolarHBondContact OG-N 3.11Å; S943-L947 PolarHBondContact O-N 3.03Å |
| 944 | L | 88.4 | Confident | 87.5 | Confident | 64 Ų | 64 | 40.9 Ų | 40.9 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.5 | -36.3 | 173 | 175.9 | 63 | 0 | 0 | 0 | 111.9 | F843 Q852 L947 G948 | F843-L944 HydrophobicContact CE2-CD1 3.54Å; F843-L944 HydrophobicContact CZ-CD1 3.64Å; F843-L944 HydrophobicContact CZ-CD2 3.88Å; F843-L944 HydrophobicContact CZ-CG 4.42Å; Q852-L944 HydrophobicContact CG-CD2 4.41Å; L944-L947 PolarHBondContact O-N 3.45Å; L944-G948 PolarHBondContact O-N 3.39Å |
| 945 | L | 89.7 | Confident | 88.4 | Confident | 48 Ų | 48 | 36.6 Ų | 36.6 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.6 | -32 | -179.4 | -64.8 | 172.6 | 0 | 0 | 0 | 112.3 | S943 G948 N949 D1004 M1005 M1008 | S943-L945 PolarHBondContact O-N 3.32Å; L945-G948 PolarHBondContact O-N 2.78Å; L945-N949 WeakPolarHBondContact O-CB 3.47Å; L945-N949 PolarHBondContact O-N 3.22Å; L945-N949 PolarHBondContact O-ND2 3.27Å; L945-D1004 HydrophobicContact CD1-CB 4.03Å; L945-D1004 WeakPolarHBondContact CD1-O 3.47Å; L945-M1005 HydrophobicContact CB-CE 4.18Å; L945-M1005 HydrophobicContact CD1-CE 3.88Å; L945-M1005 HydrophobicContact CD2-CE 3.83Å; L945-M1005 HydrophobicContact CG-CE 4.18Å; L945-M1008 HydrophobicContact CB-CE 3.33Å; L945-M1008 HydrophobicContact CB-SD 4.21Å; L945-M1008 HydrophobicContact CD1-CE 4.02Å; L945-M1008 HydrophobicContact CG-CE 4.32Å |
| 946 | V | 91.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 172.4 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | F930 S943 S950 M1008 A1011 V1012 | F930-V946 HydrophobicContact CE1-CG1 4.03Å; S943-V946 PolarHBondContact O-N 3.3Å; S943-V946 VanDerWaalsContact O-N 3.1Å; S943-V946 PolarHBondContact OG-N 3.11Å; V946-S950 WeakPolarHBondContact O-CB 3.28Å; V946-S950 PolarHBondContact O-N 2.95Å; V946-S950 PolarHBondContact O-OG 3.24Å; V946-M1008 HydrophobicContact CG2-SD 3.8Å; V946-A1011 HydrophobicContact CG2-CB 3.91Å; V946-V1012 HydrophobicContact CG1-CG2 4.4Å |
| 947 | L | 91.6 | Very high | 89.8 | Confident | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 173.4 | 175.8 | 64.3 | 0 | 0 | 0 | 110.9 | P926 L927 F930 S943 L944 S950 V951 | P926-L947 HydrophobicContact CB-CD1 4.12Å; L927-L947 HydrophobicContact CD1-CD2 3.91Å; F930-L947 HydrophobicContact CB-CD1 4.14Å; F930-L947 HydrophobicContact CD2-CD1 3.71Å; F930-L947 HydrophobicContact CE2-CD1 4.37Å; F930-L947 HydrophobicContact CG-CD1 4.03Å; S943-L947 PolarHBondContact O-N 3.03Å; L944-L947 PolarHBondContact O-N 3.45Å; L947-S950 WeakPolarHBondContact O-CB 3.2Å; L947-S950 PolarHBondContact O-N 2.96Å; L947-V951 HydrophobicContact CD1-CG2 4.01Å; L947-V951 HydrophobicContact CG-CG2 4.37Å; L947-V951 WeakPolarHBondContact O-CB 3.39Å; L947-V951 VanDerWaalsContact O-CG2 3.3Å; L947-V951 WeakPolarHBondContact O-CG2 3.29Å; L947-V951 PolarHBondContact O-N 3.05Å |
| 948 | G | 92.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F855 L944 L945 S950 V951 Y952 | F855-G948 WeakPolarHBondContact CD1-O 3.25Å; F855-G948 WeakPolarHBondContact CE1-O 3.18Å; L944-G948 PolarHBondContact O-N 3.39Å; L945-G948 PolarHBondContact O-N 2.78Å; G948-S950 VanDerWaalsContact C-N 3.34Å; G948-S950 PolarHBondContact O-N 3.03Å; G948-V951 PolarHBondContact O-N 3.1Å; G948-Y952 VanDerWaalsContact O-CB 3.25Å; G948-Y952 WeakPolarHBondContact O-CB 3.17Å; G948-Y952 PolarHBondContact O-N 3.15Å |
| 949 | N | 93.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.032 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -34.3 | 175.8 | -78.5 | -70.6 | 0 | 0 | 0 | 112.4 | L945 T953 L989 M1008 V1012 | L945-N949 WeakPolarHBondContact O-CB 3.47Å; L945-N949 PolarHBondContact O-N 3.22Å; L945-N949 PolarHBondContact O-ND2 3.27Å; N949-T953 WeakPolarHBondContact O-CB 3.37Å; N949-T953 PolarHBondContact O-N 3.17Å; N949-T953 PolarHBondContact O-OG1 3.31Å; N949-L989 HydrophobicContact CB-CD1 4.49Å; N949-M1008 WeakPolarHBondContact ND2-CG 2.95Å; N949-V1012 HydrophobicContact CB-CG2 3.82Å |
| 950 | S | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.4 | -52.2 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | F930 V946 L947 G948 Y952 T953 Y954 | F930-S950 WeakPolarHBondContact CZ-OG 3.49Å; V946-S950 WeakPolarHBondContact O-CB 3.28Å; V946-S950 PolarHBondContact O-N 2.95Å; V946-S950 PolarHBondContact O-OG 3.24Å; L947-S950 WeakPolarHBondContact O-CB 3.2Å; L947-S950 PolarHBondContact O-N 2.96Å; G948-S950 VanDerWaalsContact C-N 3.34Å; G948-S950 PolarHBondContact O-N 3.03Å; S950-Y952 VanDerWaalsContact C-N 3.33Å; S950-Y952 PolarHBondContact O-N 3.35Å; S950-T953 WeakPolarHBondContact O-CB 3.49Å; S950-T953 PolarHBondContact O-N 3.35Å; S950-Y954 WeakPolarHBondContact O-CD1 3.47Å; S950-Y954 VanDerWaalsContact O-CD2 3.26Å; S950-Y954 WeakPolarHBondContact O-CD2 3.47Å; S950-Y954 PolarHBondContact O-N 2.79Å; S950-Y954 VanDerWaalsContact O-N 3.07Å |
| 951 | V | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | I839 F855 P926 L947 G948 T953 Y954 V955 | I839-V951 HydrophobicContact CD1-CG1 4.01Å; I839-V951 HydrophobicContact CG2-CG1 3.98Å; F855-V951 HydrophobicContact CE1-CB 4.27Å; F855-V951 HydrophobicContact CE1-CG1 4.02Å; F855-V951 HydrophobicContact CZ-CG1 4.07Å; P926-V951 HydrophobicContact CB-CG2 3.7Å; P926-V951 HydrophobicContact CG-CG2 3.97Å; L947-V951 HydrophobicContact CD1-CG2 4.01Å; L947-V951 HydrophobicContact CG-CG2 4.37Å; L947-V951 WeakPolarHBondContact O-CB 3.39Å; L947-V951 VanDerWaalsContact O-CG2 3.3Å; L947-V951 WeakPolarHBondContact O-CG2 3.29Å; L947-V951 PolarHBondContact O-N 3.05Å; G948-V951 PolarHBondContact O-N 3.1Å; V951-T953 VanDerWaalsContact C-N 3.33Å; V951-T953 PolarHBondContact O-N 3.37Å; V951-Y954 PolarHBondContact O-N 3.35Å; V951-V955 HydrophobicContact CG1-CG2 4.38Å; V951-V955 VanDerWaalsContact O-CG2 3.27Å; V951-V955 WeakPolarHBondContact O-CG2 3.38Å; V951-V955 PolarHBondContact O-N 3.42Å |
| 952 | Y | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 178.9 | -167.2 | -82.5 | 0 | 0 | 0 | 111.8 | L836 F855 S859 Y863 F867 G948 S950 Y954 V955 V956 W985 | L836-Y952 HydrophobicContact CD1-CD2 3.91Å; L836-Y952 HydrophobicContact CD1-CE2 4.06Å; L836-Y952 HydrophobicContact CD2-CE2 4.2Å; F855-Y952 HydrophobicContact CB-CD2 4.32Å; F855-Y952 AromaticContact CD1-CD2 3.64Å; F855-Y952 HydrophobicContact CD1-CD2 3.64Å; F855-Y952 HydrophobicContact CD1-CG 4.19Å; F855-Y952 HydrophobicContact CD2-CD2 4.3Å; F855-Y952 AromaticContact CE1-CD2 3.94Å; F855-Y952 HydrophobicContact CE1-CD2 3.94Å; F855-Y952 HydrophobicContact CE1-CG 4.33Å; F855-Y952 AromaticContact CG-CD2 3.83Å; F855-Y952 HydrophobicContact CG-CD2 3.83Å; F855-Y952 HydrophobicContact CZ-CD2 4.38Å; S859-Y952 PolarHBondContact O-OH 2.93Å; Y863-Y952 VanDerWaalsContact CA-OH 3.28Å; Y863-Y952 WeakPolarHBondContact CA-OH 3.37Å; Y863-Y952 WeakPolarHBondContact CB-OH 3.46Å; Y863-Y952 HydrophobicContact CD2-CE2 4.27Å; Y863-Y952 AromaticContact CD2-CZ 3.85Å; F867-Y952 HydrophobicContact CD2-CE1 4.12Å; F867-Y952 VanDerWaalsContact CD2-OH 3.29Å; F867-Y952 WeakPolarHBondContact CD2-OH 3.36Å; G948-Y952 VanDerWaalsContact O-CB 3.25Å; G948-Y952 WeakPolarHBondContact O-CB 3.17Å; G948-Y952 PolarHBondContact O-N 3.15Å; S950-Y952 VanDerWaalsContact C-N 3.33Å; S950-Y952 PolarHBondContact O-N 3.35Å; Y952-Y954 VanDerWaalsContact C-N 3.34Å; Y952-Y954 PolarHBondContact O-N 3.08Å; Y952-V955 WeakPolarHBondContact O-CB 3.4Å; Y952-V955 PolarHBondContact O-N 3.25Å; Y952-V956 HydrophobicContact CD1-CG2 3.74Å; Y952-V956 HydrophobicContact CE1-CG2 3.46Å; Y952-V956 VanDerWaalsContact CE1-CG2 3.46Å; Y952-V956 WeakPolarHBondContact O-CG2 3.4Å; Y952-V956 PolarHBondContact O-N 2.95Å; Y952-W985 AromaticContact CD1-CD2 3.96Å; Y952-W985 HydrophobicContact CD1-CD2 3.96Å; Y952-W985 AromaticContact CD1-CE2 3.66Å; Y952-W985 AromaticContact CD1-CE3 3.94Å; Y952-W985 HydrophobicContact CD1-CE3 3.94Å; Y952-W985 AromaticContact CD1-CH2 3.31Å; Y952-W985 HydrophobicContact CD1-CH2 3.31Å; Y952-W985 AromaticContact CD1-CZ2 3.34Å; Y952-W985 HydrophobicContact CD1-CZ2 3.34Å; Y952-W985 AromaticContact CD1-CZ3 3.62Å; Y952-W985 HydrophobicContact CD1-CZ3 3.62Å; Y952-W985 AromaticContact CE1-CD2 3.92Å; Y952-W985 HydrophobicContact CE1-CD2 3.92Å; Y952-W985 AromaticContact CE1-CE3 3.52Å; Y952-W985 HydrophobicContact CE1-CE3 3.52Å; Y952-W985 AromaticContact CE1-CH2 3.55Å; Y952-W985 HydrophobicContact CE1-CH2 3.55Å; Y952-W985 AromaticContact CE1-CZ2 3.95Å; Y952-W985 HydrophobicContact CE1-CZ2 3.95Å; Y952-W985 AromaticContact CE1-CZ3 3.32Å; Y952-W985 HydrophobicContact CE1-CZ3 3.32Å; Y952-W985 HydrophobicContact CG-CH2 4.09Å; Y952-W985 HydrophobicContact CG-CZ2 4.16Å |
| 953 | T | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.5 | -46.4 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | N949 S950 V951 V955 V956 V957 W985 F986 F1018 F1022 | N949-T953 WeakPolarHBondContact O-CB 3.37Å; N949-T953 PolarHBondContact O-N 3.17Å; N949-T953 PolarHBondContact O-OG1 3.31Å; S950-T953 WeakPolarHBondContact O-CB 3.49Å; S950-T953 PolarHBondContact O-N 3.35Å; V951-T953 VanDerWaalsContact C-N 3.33Å; V951-T953 PolarHBondContact O-N 3.37Å; T953-V955 VanDerWaalsContact C-N 3.3Å; T953-V955 PolarHBondContact O-N 3Å; T953-V956 PolarHBondContact O-N 3.05Å; T953-V957 HydrophobicContact CG2-CG2 4.44Å; T953-V957 VanDerWaalsContact O-CG2 3.24Å; T953-V957 WeakPolarHBondContact O-CG2 3.27Å; T953-V957 PolarHBondContact O-N 3.26Å; T953-W985 PolarHBondContact OG1-NE1 3.14Å; T953-F986 HydrophobicContact CG2-CE1 4.5Å; T953-F986 HydrophobicContact CG2-CE2 4.33Å; T953-F986 HydrophobicContact CG2-CZ 3.88Å; T953-F1018 HydrophobicContact CG2-CE2 3.98Å; T953-F1018 HydrophobicContact CG2-CZ 3.95Å; T953-F1022 HydrophobicContact CG2-CD2 4.21Å |
| 954 | Y | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.9 | -36.7 | 178.8 | -51.9 | -28.4 | 0 | 0 | 0 | 112 | P926 S950 V951 Y952 T958 F1018 F1022 I1025 | P926-Y954 HydrophobicContact CB-CD2 4.39Å; P926-Y954 HydrophobicContact CB-CE2 4.06Å; P926-Y954 HydrophobicContact CG-CD2 3.58Å; P926-Y954 HydrophobicContact CG-CE2 3.66Å; S950-Y954 WeakPolarHBondContact O-CD1 3.47Å; S950-Y954 VanDerWaalsContact O-CD2 3.26Å; S950-Y954 WeakPolarHBondContact O-CD2 3.47Å; S950-Y954 PolarHBondContact O-N 2.79Å; S950-Y954 VanDerWaalsContact O-N 3.07Å; V951-Y954 PolarHBondContact O-N 3.35Å; Y952-Y954 VanDerWaalsContact C-N 3.34Å; Y952-Y954 PolarHBondContact O-N 3.08Å; Y954-T958 VanDerWaalsContact O-CB 3.22Å; Y954-T958 WeakPolarHBondContact O-CB 2.99Å; Y954-T958 PolarHBondContact O-N 2.72Å; Y954-T958 PolarHBondContact O-OG1 3.34Å; Y954-F1018 HydrophobicContact CE1-CD2 4.13Å; Y954-F1018 HydrophobicContact CE1-CE2 4.19Å; Y954-F1018 WeakPolarHBondContact OH-CA 3.48Å; Y954-F1018 PolarHBondContact OH-O 3.26Å; Y954-F1022 HydrophobicContact CD1-CB 4.39Å; Y954-F1022 HydrophobicContact CE1-CB 3.87Å; Y954-I1025 HydrophobicContact CD2-CD1 3.86Å; Y954-I1025 HydrophobicContact CE2-CD1 3.67Å |
| 955 | V | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.8 | -51.5 | 175.1 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | L836 I839 Y863 L922 V951 Y952 T953 V957 T958 V959 | L836-V955 HydrophobicContact CB-CG1 4.3Å; L836-V955 HydrophobicContact CD1-CB 4.35Å; L836-V955 HydrophobicContact CD1-CG1 3.88Å; L836-V955 HydrophobicContact CD1-CG2 4.41Å; I839-V955 HydrophobicContact CD1-CG2 3.27Å; Y863-V955 HydrophobicContact CE2-CG1 4.33Å; L922-V955 HydrophobicContact CB-CG2 4.21Å; L922-V955 HydrophobicContact CD1-CG2 3.96Å; V951-V955 HydrophobicContact CG1-CG2 4.38Å; V951-V955 VanDerWaalsContact O-CG2 3.27Å; V951-V955 WeakPolarHBondContact O-CG2 3.38Å; V951-V955 PolarHBondContact O-N 3.42Å; Y952-V955 WeakPolarHBondContact O-CB 3.4Å; Y952-V955 PolarHBondContact O-N 3.25Å; T953-V955 VanDerWaalsContact C-N 3.3Å; T953-V955 PolarHBondContact O-N 3Å; V955-V957 VanDerWaalsContact C-N 3.31Å; V955-V957 PolarHBondContact O-N 2.97Å; V955-T958 PolarHBondContact O-N 2.84Å; V955-V959 HydrophobicContact CG1-CG2 4.07Å; V955-V959 VanDerWaalsContact O-CB 3.26Å; V955-V959 WeakPolarHBondContact O-CB 3.41Å; V955-V959 VanDerWaalsContact O-CG2 3.28Å; V955-V959 WeakPolarHBondContact O-CG2 3.26Å; V955-V959 PolarHBondContact O-N 3.47Å |
| 956 | V | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.006 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -56.8 | -46.9 | -179.7 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | Y863 Y952 T953 C960 W985 | Y863-V956 HydrophobicContact CD2-CG2 4.35Å; Y863-V956 HydrophobicContact CE2-CG2 4.25Å; Y952-V956 HydrophobicContact CD1-CG2 3.74Å; Y952-V956 HydrophobicContact CE1-CG2 3.46Å; Y952-V956 VanDerWaalsContact CE1-CG2 3.46Å; Y952-V956 WeakPolarHBondContact O-CG2 3.4Å; Y952-V956 PolarHBondContact O-N 2.95Å; T953-V956 PolarHBondContact O-N 3.05Å; V956-C960 VanDerWaalsContact O-CB 3.3Å; V956-C960 WeakPolarHBondContact O-CB 3.34Å; V956-C960 PolarHBondContact O-N 2.86Å; V956-C960 PolarHBondContact O-SG 3.24Å; V956-W985 HydrophobicContact CG1-CB 4.1Å; V956-W985 HydrophobicContact CG1-CG 4.4Å; V956-W985 HydrophobicContact CG2-CG 4.48Å |
| 957 | V | 95.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 8.6 Ų | 8.6 | 6% | 0.055 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.8 | -49.6 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 111 | T953 V955 V959 C960 L961 I982 F1022 P1026 | T953-V957 HydrophobicContact CG2-CG2 4.44Å; T953-V957 VanDerWaalsContact O-CG2 3.24Å; T953-V957 WeakPolarHBondContact O-CG2 3.27Å; T953-V957 PolarHBondContact O-N 3.26Å; V955-V957 VanDerWaalsContact C-N 3.31Å; V955-V957 PolarHBondContact O-N 2.97Å; V957-V959 PolarHBondContact O-N 3.48Å; V957-C960 PolarHBondContact O-N 2.99Å; V957-L961 HydrophobicContact CG1-CD1 3.75Å; V957-L961 HydrophobicContact CG1-CG 4.26Å; V957-L961 WeakPolarHBondContact O-CB 3.34Å; V957-L961 VanDerWaalsContact O-CG 3.27Å; V957-L961 WeakPolarHBondContact O-CG 3.36Å; V957-L961 PolarHBondContact O-N 3.49Å; V957-I982 HydrophobicContact CG2-CG2 4.19Å; V957-F1022 HydrophobicContact CG2-CD2 4.27Å; V957-F1022 HydrophobicContact CG2-CE2 3.68Å; V957-P1026 HydrophobicContact CB-CG 4.31Å; V957-P1026 HydrophobicContact CG1-CB 4.08Å; V957-P1026 HydrophobicContact CG1-CG 3.92Å |
| 958 | T | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | -178.4 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | L922 Y954 V955 K962 P1026 A1029 L1030 | L922-T958 HydrophobicContact CD1-CG2 4.2Å; L922-T958 WeakPolarHBondContact CD2-OG1 3.37Å; Y954-T958 VanDerWaalsContact O-CB 3.22Å; Y954-T958 WeakPolarHBondContact O-CB 2.99Å; Y954-T958 PolarHBondContact O-N 2.72Å; Y954-T958 PolarHBondContact O-OG1 3.34Å; V955-T958 PolarHBondContact O-N 2.84Å; T958-K962 WeakPolarHBondContact O-CB 3.24Å; T958-K962 PolarHBondContact O-N 2.89Å; T958-P1026 WeakPolarHBondContact OG1-CA 3.47Å; T958-P1026 WeakPolarHBondContact OG1-CB 3.33Å; T958-A1029 HydrophobicContact CG2-CB 3.87Å; T958-L1030 HydrophobicContact CG2-CD2 4.25Å; T958-L1030 HydrophobicContact CG2-CG 4.31Å |
| 959 | V | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 179 | 165.5 | 0 | 0 | 0 | 0 | 111 | Y828 Y831 K832 T868 V955 V957 K962 A963 | Y828-V959 HydrophobicContact CE2-CG1 4.35Å; Y828-V959 WeakPolarHBondContact OH-CG1 3.33Å; Y828-V959 PolarHBondContact OH-O 2.93Å; Y831-V959 HydrophobicContact CE1-CG2 4.31Å; K832-V959 HydrophobicContact CB-CG1 3.62Å; T868-V959 HydrophobicContact CG2-CG1 4.25Å; V955-V959 HydrophobicContact CG1-CG2 4.07Å; V955-V959 VanDerWaalsContact O-CB 3.26Å; V955-V959 WeakPolarHBondContact O-CB 3.41Å; V955-V959 VanDerWaalsContact O-CG2 3.28Å; V955-V959 WeakPolarHBondContact O-CG2 3.26Å; V955-V959 PolarHBondContact O-N 3.47Å; V957-V959 PolarHBondContact O-N 3.48Å; V959-K962 WeakPolarHBondContact O-CB 3.41Å; V959-K962 PolarHBondContact O-N 3.41Å; V959-A963 PolarHBondContact O-N 3.38Å |
| 960 | C | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 177.1 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | V956 V957 K962 A963 G964 I978 I982 | V956-C960 VanDerWaalsContact O-CB 3.3Å; V956-C960 WeakPolarHBondContact O-CB 3.34Å; V956-C960 PolarHBondContact O-N 2.86Å; V956-C960 PolarHBondContact O-SG 3.24Å; V957-C960 PolarHBondContact O-N 2.99Å; C960-K962 VanDerWaalsContact C-N 3.32Å; C960-K962 PolarHBondContact O-N 2.95Å; C960-A963 WeakPolarHBondContact O-CB 3.43Å; C960-A963 PolarHBondContact O-N 3.3Å; C960-G964 PolarHBondContact O-N 3.39Å; C960-G964 VanDerWaalsContact O-N 3.07Å; C960-I978 HydrophobicContact CB-CG2 4.24Å; C960-I982 HydrophobicContact CB-CD1 3.87Å; C960-I982 HydrophobicContact CB-CG1 3.75Å |
| 961 | L | 95.1 | Very high | 93.4 | Very high | 50 Ų | 50 | 17.9 Ų | 17.9 | 26% | 0.262 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -66 | -36.3 | 174.4 | -69.6 | 177.9 | 0 | 0 | 0 | 111.7 | V957 A963 G964 L965 W979 P1026 L1030 | V957-L961 HydrophobicContact CG1-CD1 3.75Å; V957-L961 HydrophobicContact CG1-CG 4.26Å; V957-L961 WeakPolarHBondContact O-CB 3.34Å; V957-L961 VanDerWaalsContact O-CG 3.27Å; V957-L961 WeakPolarHBondContact O-CG 3.36Å; V957-L961 PolarHBondContact O-N 3.49Å; L961-A963 VanDerWaalsContact C-N 3.35Å; L961-A963 PolarHBondContact O-N 3.33Å; L961-G964 CarbonylContact O-C 3.42Å; L961-G964 WeakPolarHBondContact O-CA 3.38Å; L961-G964 PolarHBondContact O-N 2.91Å; L961-G964 VanDerWaalsContact O-N 3.11Å; L961-L965 PolarHBondContact O-N 3.41Å; L961-W979 HydrophobicContact CD2-CH2 3.89Å; L961-W979 HydrophobicContact CD2-CZ3 4.06Å; L961-P1026 HydrophobicContact CD1-CB 4.45Å; L961-L1030 HydrophobicContact CB-CD1 3.51Å; L961-L1030 HydrophobicContact CD1-CD1 3.8Å; L961-L1030 HydrophobicContact CG-CD1 4.33Å |
| 962 | K | 95.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.03 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 171.1 | 176.5 | 58.7 | 170.2 | 176.9 | 0 | 111.4 | Y831 T958 V959 C960 G964 L965 E966 L1030 D1033 | Y831-K962 HydrophobicContact CD1-CG 4.42Å; Y831-K962 HydrophobicContact CE1-CB 4.23Å; Y831-K962 HydrophobicContact CE1-CG 3.64Å; T958-K962 WeakPolarHBondContact O-CB 3.24Å; T958-K962 PolarHBondContact O-N 2.89Å; V959-K962 WeakPolarHBondContact O-CB 3.41Å; V959-K962 PolarHBondContact O-N 3.41Å; C960-K962 VanDerWaalsContact C-N 3.32Å; C960-K962 PolarHBondContact O-N 2.95Å; K962-G964 VanDerWaalsContact C-N 3.29Å; K962-G964 PolarHBondContact O-N 2.69Å; K962-L965 PolarHBondContact O-N 3.38Å; K962-E966 HydrophobicContact CD-CG 4.35Å; K962-E966 WeakPolarHBondContact CE-OE1 3.28Å; K962-E966 IonicContact NZ-OE1 3.43Å; K962-E966 PolarHBondContact NZ-OE1 3.42Å; K962-E966 VanDerWaalsContact O-CG 3.3Å; K962-E966 WeakPolarHBondContact O-CG 3.36Å; K962-E966 PolarHBondContact O-N 3.22Å; K962-L1030 HydrophobicContact CB-CD2 3.96Å; K962-D1033 VanDerWaalsContact CD-OD2 3.26Å; K962-D1033 WeakPolarHBondContact CD-OD2 3.36Å; K962-D1033 WeakPolarHBondContact CE-OD2 3.41Å; K962-D1033 VanDerWaalsContact NZ-CG 3.28Å; K962-D1033 IonicContact NZ-OD1 3.26Å; K962-D1033 IonicContact NZ-OD2 3.76Å; K962-D1033 PolarHBondContact NZ-OD2 3.44Å |
| 963 | A | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y828 P871 L875 V959 C960 L961 L965 E966 H967 | Y828-A963 HydrophobicContact CD2-CB 4.38Å; Y828-A963 HydrophobicContact CE1-CB 4.44Å; Y828-A963 HydrophobicContact CE2-CB 3.6Å; P871-A963 HydrophobicContact CB-CB 3.68Å; L875-A963 HydrophobicContact CD1-CB 4.3Å; V959-A963 PolarHBondContact O-N 3.38Å; C960-A963 WeakPolarHBondContact O-CB 3.43Å; C960-A963 PolarHBondContact O-N 3.3Å; L961-A963 VanDerWaalsContact C-N 3.35Å; L961-A963 PolarHBondContact O-N 3.33Å; A963-L965 VanDerWaalsContact C-N 3.32Å; A963-L965 PolarHBondContact O-N 3.02Å; A963-E966 PolarHBondContact O-N 3.08Å; A963-H967 PolarHBondContact O-CD2 2.94Å; A963-H967 PolarHBondContact O-N 3.13Å; A963-H967 VanDerWaalsContact O-N 3.1Å |
| 964 | G | 93.2 | Very high | 93 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.5 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C960 L961 K962 E966 H967 W970 I978 | C960-G964 PolarHBondContact O-N 3.39Å; C960-G964 VanDerWaalsContact O-N 3.07Å; L961-G964 CarbonylContact O-C 3.42Å; L961-G964 WeakPolarHBondContact O-CA 3.38Å; L961-G964 PolarHBondContact O-N 2.91Å; L961-G964 VanDerWaalsContact O-N 3.11Å; K962-G964 VanDerWaalsContact C-N 3.29Å; K962-G964 PolarHBondContact O-N 2.69Å; G964-E966 PolarHBondContact O-N 3.39Å; G964-H967 PolarHBondContact O-N 3.01Å; G964-W970 VanDerWaalsContact CA-CH2 3.45Å; G964-W970 VanDerWaalsContact CA-CZ2 3.41Å; G964-W970 WeakPolarHBondContact O-CZ2 3.44Å; G964-I978 VanDerWaalsContact CA-CD1 3.46Å |
| 965 | L | 92.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 32.6 Ų | 32.6 | 28% | 0.277 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.9 | -27.8 | 176 | -68.5 | 178.6 | 0 | 0 | 0 | 112.9 | L961 K962 A963 L1030 D1033 I1034 K1037 | L961-L965 PolarHBondContact O-N 3.41Å; K962-L965 PolarHBondContact O-N 3.38Å; A963-L965 VanDerWaalsContact C-N 3.32Å; A963-L965 PolarHBondContact O-N 3.02Å; L965-L1030 HydrophobicContact CD1-CB 4.34Å; L965-L1030 HydrophobicContact CD1-CD2 3.82Å; L965-D1033 HydrophobicContact CD1-CB 4.39Å; L965-I1034 HydrophobicContact CD1-CG1 3.9Å; L965-I1034 HydrophobicContact CD2-CD1 4.46Å; L965-I1034 HydrophobicContact CD2-CG1 3.99Å; L965-K1037 PolarHBondContact O-NZ 3.5Å |
| 966 | E | 91.7 | Very high | 92.8 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -88.2 | -19.3 | -177 | -60.2 | -65.9 | 154.4 | 0 | 0 | 114 | K824 L875 W911 K962 A963 G964 T968 K1037 | K824-E966 PolarHBondContact NZ-O 2.97Å; K824-E966 VanDerWaalsContact NZ-O 3.1Å; L875-E966 HydrophobicContact CD2-CB 4.49Å; W911-E966 HydrophobicContact CH2-CG 3.67Å; W911-E966 HydrophobicContact CZ2-CG 4.47Å; W911-E966 HydrophobicContact CZ3-CG 4.46Å; K962-E966 HydrophobicContact CD-CG 4.35Å; K962-E966 WeakPolarHBondContact CE-OE1 3.28Å; K962-E966 IonicContact NZ-OE1 3.43Å; K962-E966 PolarHBondContact NZ-OE1 3.42Å; K962-E966 VanDerWaalsContact O-CG 3.3Å; K962-E966 WeakPolarHBondContact O-CG 3.36Å; K962-E966 PolarHBondContact O-N 3.22Å; A963-E966 PolarHBondContact O-N 3.08Å; G964-E966 PolarHBondContact O-N 3.39Å; E966-T968 PolarHBondContact O-N 3.48Å; E966-K1037 VanDerWaalsContact CD-CE 3.46Å; E966-K1037 WeakPolarHBondContact OE1-CE 3.19Å; E966-K1037 IonicContact OE1-NZ 2.63Å; E966-K1037 PolarHBondContact OE1-NZ 3.43Å; E966-K1037 WeakPolarHBondContact OE2-CE 3.44Å; E966-K1037 IonicContact OE2-NZ 3.01Å; E966-K1037 PolarHBondContact OE2-NZ 3.18Å |
| 967 | H | 91 | Very high | 92.8 | Very high | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | trans | -61.2 | 128.2 | 168.4 | -89.7 | -84.3 | 0 | 0 | 0 | 110.6 | L875 A963 G964 A969 | L875-H967 HydrophobicContact CD2-CB 4.41Å; L875-H967 WeakPolarHBondContact CD2-CD2 3.26Å; L875-H967 WeakPolarHBondContact CD2-NE2 3.46Å; L875-H967 WeakPolarHBondContact CG-NE2 3.47Å; A963-H967 PolarHBondContact O-CD2 2.94Å; A963-H967 PolarHBondContact O-N 3.13Å; A963-H967 VanDerWaalsContact O-N 3.1Å; G964-H967 PolarHBondContact O-N 3.01Å; H967-A969 PolarHBondContact ND1-O 2.76Å | ||
| 968 | T | 87.2 | Confident | 92.8 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -86.5 | -38.4 | 170.4 | 33.5 | 0 | 0 | 0 | 0 | 111.3 | K824 D879 R880 E966 M1052 | K824-T968 PolarHBondContact NZ-OG1 3.04Å; D879-T968 WeakPolarHBondContact OD1-CA 3.44Å; D879-T968 PolarHBondContact OD1-N 3.02Å; D879-T968 PolarHBondContact OD1-OG1 3.48Å; D879-T968 PolarHBondContact OD2-OG1 3.3Å; D879-T968 VanDerWaalsContact OD2-OG1 3.1Å; R880-T968 PolarHBondContact O-OG1 3.32Å; R880-T968 VanDerWaalsContact O-OG1 3.09Å; E966-T968 PolarHBondContact O-N 3.48Å; T968-M1052 HydrophobicContact CG2-SD 3.99Å |
| 969 | A | 86 | Confident | 92.7 | Very high | 27 Ų | 27 | 44.1 Ų | 44.1 | 22% | 0.223 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -114.5 | 123.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D879 R880 H967 | D879-A969 PolarHBondContact OD1-N 3.2Å; D879-A969 VanDerWaalsContact OD1-N 3.17Å; R880-A969 HydrophobicContact CB-CB 4.06Å; H967-A969 PolarHBondContact ND1-O 2.76Å |
| 970 | W | 89.6 | Confident | 92.7 | Very high | 118 Ų | 118 | 45.7 Ų | 45.7 | 45% | 0.447 | 22% | 0.222 | S | C | . | . | trans | -90.2 | 107.6 | 173.6 | -74.5 | 80.3 | 0 | 0 | 0 | 109.7 | G964 S974 H975 I978 | G964-W970 VanDerWaalsContact CA-CH2 3.45Å; G964-W970 VanDerWaalsContact CA-CZ2 3.41Å; G964-W970 WeakPolarHBondContact O-CZ2 3.44Å; W970-S974 WeakPolarHBondContact CA-OG 3.3Å; W970-H975 AromaticContact CE3-CE1 3.25Å; W970-H975 AromaticContact CE3-ND1 3.5Å; W970-H975 AromaticContact CE3-NE2 3.74Å; W970-H975 AromaticContact CZ3-CE1 3.73Å; W970-H975 AromaticContact CZ3-ND1 3.66Å; W970-I978 HydrophobicContact CE3-CD1 4.3Å; W970-I978 HydrophobicContact CH2-CD1 3.7Å; W970-I978 HydrophobicContact CZ3-CD1 3.5Å | ||
| 971 | T | 90.9 | Very high | 92.7 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 22% | 0.221 | 22% | 0.223 | C | C | . | . | trans | -101 | 161.1 | 172.4 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | F878 L973 S974 H975 | F878-T971 HydrophobicContact CB-CG2 4.42Å; T971-L973 PolarHBondContact O-N 3.47Å; T971-S974 PolarHBondContact N-OG 3Å; T971-S974 PolarHBondContact O-N 3.28Å; T971-S974 PolarHBondContact O-OG 3.43Å; T971-S974 PolarHBondContact OG1-N 3.14Å; T971-S974 VanDerWaalsContact OG1-N 3.15Å; T971-S974 PolarHBondContact OG1-OG 3.36Å; T971-H975 PolarHBondContact O-CD2 3.33Å; T971-H975 VanDerWaalsContact O-CD2 3.3Å; T971-H975 PolarHBondContact O-N 3.04Å | ||
| 972 | W | 93.5 | Very high | 92.7 | Very high | 187 Ų | 187 | 44.3 Ų | 44.3 | 71% | 0.708 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -57.2 | -32.1 | 174.4 | 74.7 | -94.4 | 0 | 0 | 0 | 112.2 | H975 L976 | W972-H975 WeakPolarHBondContact O-CB 3.04Å; W972-H975 PolarHBondContact O-N 2.91Å; W972-L976 HydrophobicContact CZ3-CD2 4.03Å; W972-L976 WeakPolarHBondContact O-CB 3.15Å; W972-L976 PolarHBondContact O-N 3.31Å |
| 973 | L | 92.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.1 | -38.1 | 174.3 | -73.1 | 164.6 | 0 | 0 | 0 | 112.5 | F878 T971 H975 L976 A977 | F878-L973 HydrophobicContact CD1-CD1 3.9Å; F878-L973 HydrophobicContact CD2-CB 3.78Å; F878-L973 HydrophobicContact CD2-CD1 4.32Å; F878-L973 HydrophobicContact CE1-CD1 3.42Å; F878-L973 VanDerWaalsContact CE1-CD1 3.42Å; F878-L973 HydrophobicContact CE2-CB 3.81Å; F878-L973 HydrophobicContact CE2-CD1 3.91Å; F878-L973 HydrophobicContact CE2-CG 4.32Å; F878-L973 HydrophobicContact CG-CB 4.23Å; F878-L973 HydrophobicContact CG-CD1 4.34Å; F878-L973 HydrophobicContact CZ-CB 4.27Å; F878-L973 HydrophobicContact CZ-CD1 3.46Å; F878-L973 VanDerWaalsContact CZ-CD1 3.46Å; F878-L973 HydrophobicContact CZ-CG 4.31Å; T971-L973 PolarHBondContact O-N 3.47Å; L973-H975 VanDerWaalsContact C-N 3.35Å; L973-L976 PolarHBondContact O-N 2.85Å; L973-A977 WeakPolarHBondContact O-CB 3.4Å; L973-A977 PolarHBondContact O-N 3.22Å |
| 974 | S | 91.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 172.4 | 66.1 | 0 | 0 | 0 | 0 | 112 | W970 T971 A977 I978 | W970-S974 WeakPolarHBondContact CA-OG 3.3Å; T971-S974 PolarHBondContact N-OG 3Å; T971-S974 PolarHBondContact O-N 3.28Å; T971-S974 PolarHBondContact O-OG 3.43Å; T971-S974 PolarHBondContact OG1-N 3.14Å; T971-S974 VanDerWaalsContact OG1-N 3.15Å; T971-S974 PolarHBondContact OG1-OG 3.36Å; S974-A977 PolarHBondContact O-N 3.39Å; S974-I978 WeakPolarHBondContact O-CB 3.46Å; S974-I978 WeakPolarHBondContact O-CD1 3.27Å; S974-I978 VanDerWaalsContact O-CG1 3.31Å; S974-I978 WeakPolarHBondContact O-CG1 3.49Å; S974-I978 PolarHBondContact O-N 3.3Å |
| 975 | H | 93.3 | Very high | 92.8 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 36% | 0.356 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -47 | 172.4 | -76.7 | -64.7 | 0 | 0 | 0 | 111.4 | W970 T971 W972 L973 A977 I978 W979 | W970-H975 AromaticContact CE3-CE1 3.25Å; W970-H975 AromaticContact CE3-ND1 3.5Å; W970-H975 AromaticContact CE3-NE2 3.74Å; W970-H975 AromaticContact CZ3-CE1 3.73Å; W970-H975 AromaticContact CZ3-ND1 3.66Å; T971-H975 PolarHBondContact O-CD2 3.33Å; T971-H975 VanDerWaalsContact O-CD2 3.3Å; T971-H975 PolarHBondContact O-N 3.04Å; W972-H975 WeakPolarHBondContact O-CB 3.04Å; W972-H975 PolarHBondContact O-N 2.91Å; L973-H975 VanDerWaalsContact C-N 3.35Å; H975-A977 VanDerWaalsContact C-N 3.32Å; H975-A977 PolarHBondContact O-N 3.01Å; H975-I978 PolarHBondContact O-N 3.13Å; H975-W979 AromaticContact ND1-CD1 3.84Å; H975-W979 AromaticContact ND1-NE1 3.42Å; H975-W979 PolarHBondContact ND1-NE1 3.02Å; H975-W979 WeakPolarHBondContact O-CB 3.34Å; H975-W979 PolarHBondContact O-N 3.07Å |
| 976 | L | 94.8 | Very high | 92.8 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 55% | 0.55 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 176.3 | -178.3 | 64.1 | 0 | 0 | 0 | 111.5 | W972 L973 G980 | W972-L976 HydrophobicContact CZ3-CD2 4.03Å; W972-L976 WeakPolarHBondContact O-CB 3.15Å; W972-L976 PolarHBondContact O-N 3.31Å; L973-L976 PolarHBondContact O-N 2.85Å; L976-G980 WeakPolarHBondContact O-CA 3.26Å; L976-G980 PolarHBondContact O-N 3.41Å |
| 977 | A | 94.5 | Very high | 93 | Very high | 10 Ų | 10 | 51 Ų | 51 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A870 A874 L973 S974 H975 S981 | A870-A977 HydrophobicContact CB-CB 3.97Å; A874-A977 HydrophobicContact CB-CB 3.57Å; L973-A977 WeakPolarHBondContact O-CB 3.4Å; L973-A977 PolarHBondContact O-N 3.22Å; S974-A977 PolarHBondContact O-N 3.39Å; H975-A977 VanDerWaalsContact C-N 3.32Å; H975-A977 PolarHBondContact O-N 3.01Å; A977-S981 WeakPolarHBondContact O-CB 3.38Å; A977-S981 PolarHBondContact O-N 3.39Å; A977-S981 PolarHBondContact O-OG 3.48Å; A977-S981 VanDerWaalsContact O-OG 3.13Å |
| 978 | I | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.2 | -57 | -177.8 | -66.3 | 162.6 | 0 | 0 | 0 | 110.8 | C960 G964 W970 S974 H975 S981 I982 | C960-I978 HydrophobicContact CB-CG2 4.24Å; G964-I978 VanDerWaalsContact CA-CD1 3.46Å; W970-I978 HydrophobicContact CE3-CD1 4.3Å; W970-I978 HydrophobicContact CH2-CD1 3.7Å; W970-I978 HydrophobicContact CZ3-CD1 3.5Å; S974-I978 WeakPolarHBondContact O-CB 3.46Å; S974-I978 WeakPolarHBondContact O-CD1 3.27Å; S974-I978 VanDerWaalsContact O-CG1 3.31Å; S974-I978 WeakPolarHBondContact O-CG1 3.49Å; S974-I978 PolarHBondContact O-N 3.3Å; H975-I978 PolarHBondContact O-N 3.13Å; I978-S981 PolarHBondContact O-N 3.16Å; I978-I982 WeakPolarHBondContact O-CG1 3.16Å; I978-I982 PolarHBondContact O-N 3.46Å |
| 979 | W | 96.1 | Very high | 93.2 | Very high | 138 Ų | 138 | 50.7 Ų | 50.7 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73 | -35.5 | -176.3 | -59.1 | 124.1 | 0 | 0 | 0 | 111.9 | L961 H975 I982 G983 | L961-W979 HydrophobicContact CD2-CH2 3.89Å; L961-W979 HydrophobicContact CD2-CZ3 4.06Å; H975-W979 AromaticContact ND1-CD1 3.84Å; H975-W979 AromaticContact ND1-NE1 3.42Å; H975-W979 PolarHBondContact ND1-NE1 3.02Å; H975-W979 WeakPolarHBondContact O-CB 3.34Å; H975-W979 PolarHBondContact O-N 3.07Å; W979-I982 HydrophobicContact CE3-CD1 3.95Å; W979-I982 HydrophobicContact CZ3-CD1 4.13Å; W979-I982 PolarHBondContact O-N 3.33Å; W979-G983 PolarHBondContact O-N 3.39Å |
| 980 | G | 95.2 | Very high | 93.5 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L976 G983 C984 | L976-G980 WeakPolarHBondContact O-CA 3.26Å; L976-G980 PolarHBondContact O-N 3.41Å; G980-G983 PolarHBondContact O-N 2.9Å; G980-C984 WeakPolarHBondContact O-CB 3.32Å; G980-C984 PolarHBondContact O-N 2.99Å |
| 981 | S | 95.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 171.9 | -93.7 | 0 | 0 | 0 | 0 | 112.6 | F867 P871 A977 I978 C984 W985 | F867-S981 WeakPolarHBondContact O-CB 3.2Å; F867-S981 PolarHBondContact O-OG 3.23Å; P871-S981 WeakPolarHBondContact CD-OG 3.08Å; A977-S981 WeakPolarHBondContact O-CB 3.38Å; A977-S981 PolarHBondContact O-N 3.39Å; A977-S981 PolarHBondContact O-OG 3.48Å; A977-S981 VanDerWaalsContact O-OG 3.13Å; I978-S981 PolarHBondContact O-N 3.16Å; S981-C984 PolarHBondContact O-N 3.25Å; S981-W985 PolarHBondContact O-N 2.61Å |
| 982 | I | 95.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.087 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -50.5 | 176.8 | -65.1 | 169 | 0 | 0 | 0 | 109.9 | V957 C960 I978 W979 C984 W985 F986 | V957-I982 HydrophobicContact CG2-CG2 4.19Å; C960-I982 HydrophobicContact CB-CD1 3.87Å; C960-I982 HydrophobicContact CB-CG1 3.75Å; I978-I982 WeakPolarHBondContact O-CG1 3.16Å; I978-I982 PolarHBondContact O-N 3.46Å; W979-I982 HydrophobicContact CE3-CD1 3.95Å; W979-I982 HydrophobicContact CZ3-CD1 4.13Å; W979-I982 PolarHBondContact O-N 3.33Å; I982-C984 VanDerWaalsContact C-N 3.29Å; I982-C984 PolarHBondContact O-N 2.92Å; I982-W985 WeakPolarHBondContact O-CB 3.46Å; I982-W985 PolarHBondContact O-N 2.95Å; I982-W985 VanDerWaalsContact O-N 3.16Å; I982-F986 HydrophobicContact CG2-CD2 4.08Å; I982-F986 HydrophobicContact CG2-CE2 3.92Å; I982-F986 WeakPolarHBondContact O-CD2 3.38Å; I982-F986 PolarHBondContact O-N 3.01Å |
| 983 | G | 95.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W979 G980 W985 F986 L987 | W979-G983 PolarHBondContact O-N 3.39Å; G980-G983 PolarHBondContact O-N 2.9Å; G983-W985 VanDerWaalsContact C-N 3.33Å; G983-W985 PolarHBondContact O-N 3.41Å; G983-F986 PolarHBondContact O-N 2.82Å; G983-L987 WeakPolarHBondContact O-CB 3.37Å; G983-L987 PolarHBondContact O-N 3.36Å |
| 984 | C | 94 | Very high | 93 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | I866 G980 S981 I982 L987 F988 | I866-C984 WeakPolarHBondContact CG2-SG 3.5Å; G980-C984 WeakPolarHBondContact O-CB 3.32Å; G980-C984 PolarHBondContact O-N 2.99Å; S981-C984 PolarHBondContact O-N 3.25Å; I982-C984 VanDerWaalsContact C-N 3.29Å; I982-C984 PolarHBondContact O-N 2.92Å; C984-L987 PolarHBondContact O-N 3.34Å; C984-F988 VanDerWaalsContact O-CB 3.32Å; C984-F988 WeakPolarHBondContact O-CB 3.46Å; C984-F988 PolarHBondContact O-N 3.25Å |
| 985 | W | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 173.6 | 170.4 | -109.5 | 0 | 0 | 0 | 112.3 | F867 Y952 T953 V956 S981 I982 G983 L987 F988 L989 | F867-W985 HydrophobicContact CD1-CB 4.2Å; F867-W985 HydrophobicContact CD1-CE3 4.24Å; F867-W985 AromaticContact CD2-CE3 3.81Å; F867-W985 HydrophobicContact CD2-CE3 3.81Å; F867-W985 HydrophobicContact CD2-CZ3 4.25Å; F867-W985 HydrophobicContact CE1-CE3 4.04Å; F867-W985 AromaticContact CE2-CE3 3.57Å; F867-W985 HydrophobicContact CE2-CE3 3.57Å; F867-W985 AromaticContact CE2-CZ3 3.71Å; F867-W985 HydrophobicContact CE2-CZ3 3.71Å; F867-W985 HydrophobicContact CG-CE3 4.15Å; F867-W985 AromaticContact CZ-CE3 3.71Å; F867-W985 HydrophobicContact CZ-CE3 3.71Å; F867-W985 HydrophobicContact CZ-CZ3 4.04Å; Y952-W985 AromaticContact CD1-CD2 3.96Å; Y952-W985 HydrophobicContact CD1-CD2 3.96Å; Y952-W985 AromaticContact CD1-CE2 3.66Å; Y952-W985 AromaticContact CD1-CE3 3.94Å; Y952-W985 HydrophobicContact CD1-CE3 3.94Å; Y952-W985 AromaticContact CD1-CH2 3.31Å; Y952-W985 HydrophobicContact CD1-CH2 3.31Å; Y952-W985 AromaticContact CD1-CZ2 3.34Å; Y952-W985 HydrophobicContact CD1-CZ2 3.34Å; Y952-W985 AromaticContact CD1-CZ3 3.62Å; Y952-W985 HydrophobicContact CD1-CZ3 3.62Å; Y952-W985 AromaticContact CE1-CD2 3.92Å; Y952-W985 HydrophobicContact CE1-CD2 3.92Å; Y952-W985 AromaticContact CE1-CE3 3.52Å; Y952-W985 HydrophobicContact CE1-CE3 3.52Å; Y952-W985 AromaticContact CE1-CH2 3.55Å; Y952-W985 HydrophobicContact CE1-CH2 3.55Å; Y952-W985 AromaticContact CE1-CZ2 3.95Å; Y952-W985 HydrophobicContact CE1-CZ2 3.95Å; Y952-W985 AromaticContact CE1-CZ3 3.32Å; Y952-W985 HydrophobicContact CE1-CZ3 3.32Å; Y952-W985 HydrophobicContact CG-CH2 4.09Å; Y952-W985 HydrophobicContact CG-CZ2 4.16Å; T953-W985 PolarHBondContact OG1-NE1 3.14Å; V956-W985 HydrophobicContact CG1-CB 4.1Å; V956-W985 HydrophobicContact CG1-CG 4.4Å; V956-W985 HydrophobicContact CG2-CG 4.48Å; S981-W985 PolarHBondContact O-N 2.61Å; I982-W985 WeakPolarHBondContact O-CB 3.46Å; I982-W985 PolarHBondContact O-N 2.95Å; I982-W985 VanDerWaalsContact O-N 3.16Å; G983-W985 VanDerWaalsContact C-N 3.33Å; G983-W985 PolarHBondContact O-N 3.41Å; W985-L987 VanDerWaalsContact C-N 3.34Å; W985-L987 PolarHBondContact O-N 2.92Å; W985-F988 HydrophobicContact CE3-CD1 4.07Å; W985-F988 AromaticContact CZ3-CD1 3.72Å; W985-F988 HydrophobicContact CZ3-CD1 3.72Å; W985-F988 HydrophobicContact CZ3-CE1 4.11Å; W985-F988 PolarHBondContact O-N 2.98Å; W985-L989 HydrophobicContact CZ2-CD1 4.48Å; W985-L989 HydrophobicContact CZ2-CD2 4.49Å; W985-L989 PolarHBondContact O-N 3.49Å |
| 986 | F | 94 | Very high | 92 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 17% | 0.167 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 176.2 | -80.6 | -85.1 | 0 | 0 | 0 | 112.1 | T953 I982 G983 F988 L989 T990 Y1013 F1018 W1019 F1022 | T953-F986 HydrophobicContact CG2-CE1 4.5Å; T953-F986 HydrophobicContact CG2-CE2 4.33Å; T953-F986 HydrophobicContact CG2-CZ 3.88Å; I982-F986 HydrophobicContact CG2-CD2 4.08Å; I982-F986 HydrophobicContact CG2-CE2 3.92Å; I982-F986 WeakPolarHBondContact O-CD2 3.38Å; I982-F986 PolarHBondContact O-N 3.01Å; G983-F986 PolarHBondContact O-N 2.82Å; F986-F988 VanDerWaalsContact C-N 3.35Å; F986-L989 PolarHBondContact O-N 2.87Å; F986-T990 PolarHBondContact O-N 3.42Å; F986-T990 PolarHBondContact O-OG1 3.46Å; F986-Y1013 AromaticContact CD1-CE1 3.8Å; F986-Y1013 HydrophobicContact CD1-CE1 3.8Å; F986-Y1013 AromaticContact CD1-CZ 3.89Å; F986-Y1013 WeakPolarHBondContact CD1-OH 3.27Å; F986-Y1013 AromaticContact CE1-CE1 3.92Å; F986-Y1013 HydrophobicContact CE1-CE1 3.92Å; F986-Y1013 PolarHBondContact O-OH 2.95Å; F986-Y1013 VanDerWaalsContact O-OH 3.1Å; F986-F1018 HydrophobicContact CE1-CZ 4.35Å; F986-W1019 HydrophobicContact CE1-CH2 4.27Å; F986-W1019 HydrophobicContact CE1-CZ3 4.42Å; F986-F1022 AromaticContact CE2-CE2 3.84Å; F986-F1022 HydrophobicContact CE2-CE2 3.84Å; F986-F1022 HydrophobicContact CE2-CZ 4.3Å; F986-F1022 HydrophobicContact CZ-CD2 4.03Å; F986-F1022 AromaticContact CZ-CE2 3.47Å; F986-F1022 HydrophobicContact CZ-CE2 3.47Å; F986-F1022 VanDerWaalsContact CZ-CE2 3.47Å; F986-F1022 HydrophobicContact CZ-CZ 4.01Å |
| 987 | L | 93.9 | Very high | 91.1 | Very high | 103 Ų | 103 | 46.8 Ų | 46.8 | 54% | 0.539 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175 | -173.4 | 67.8 | 0 | 0 | 0 | 111.3 | G983 C984 W985 T990 I991 | G983-L987 WeakPolarHBondContact O-CB 3.37Å; G983-L987 PolarHBondContact O-N 3.36Å; C984-L987 PolarHBondContact O-N 3.34Å; W985-L987 VanDerWaalsContact C-N 3.34Å; W985-L987 PolarHBondContact O-N 2.92Å; L987-T990 PolarHBondContact O-N 3.05Å; L987-I991 HydrophobicContact CD1-CD1 3.73Å; L987-I991 HydrophobicContact CD1-CG1 4.33Å; L987-I991 HydrophobicContact CD2-CD1 4.39Å; L987-I991 HydrophobicContact CG-CD1 3.74Å; L987-I991 HydrophobicContact CG-CG1 4.5Å; L987-I991 WeakPolarHBondContact O-CG1 3.23Å; L987-I991 PolarHBondContact O-N 2.72Å |
| 988 | F | 92.1 | Very high | 90.5 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 176.5 | 178.8 | -96 | 0 | 0 | 0 | 111.6 | L862 F867 C984 W985 F986 T990 I991 Y992 | L862-F988 HydrophobicContact CD1-CD2 4.42Å; L862-F988 HydrophobicContact CD1-CE2 3.57Å; L862-F988 HydrophobicContact CD1-CZ 3.72Å; F867-F988 HydrophobicContact CE1-CB 3.71Å; F867-F988 HydrophobicContact CE1-CD1 4.33Å; F867-F988 HydrophobicContact CE1-CD2 4.37Å; F867-F988 AromaticContact CE1-CG 3.9Å; F867-F988 HydrophobicContact CE1-CG 3.9Å; F867-F988 HydrophobicContact CE2-CD1 4.34Å; F867-F988 HydrophobicContact CZ-CB 3.83Å; F867-F988 AromaticContact CZ-CD1 3.58Å; F867-F988 HydrophobicContact CZ-CD1 3.58Å; F867-F988 AromaticContact CZ-CD2 3.89Å; F867-F988 HydrophobicContact CZ-CD2 3.89Å; F867-F988 HydrophobicContact CZ-CE1 4.06Å; F867-F988 HydrophobicContact CZ-CE2 4.34Å; F867-F988 AromaticContact CZ-CG 3.48Å; F867-F988 HydrophobicContact CZ-CG 3.48Å; F867-F988 VanDerWaalsContact CZ-CG 3.48Å; F867-F988 HydrophobicContact CZ-CZ 4.41Å; C984-F988 VanDerWaalsContact O-CB 3.32Å; C984-F988 WeakPolarHBondContact O-CB 3.46Å; C984-F988 PolarHBondContact O-N 3.25Å; W985-F988 HydrophobicContact CE3-CD1 4.07Å; W985-F988 AromaticContact CZ3-CD1 3.72Å; W985-F988 HydrophobicContact CZ3-CD1 3.72Å; W985-F988 HydrophobicContact CZ3-CE1 4.11Å; W985-F988 PolarHBondContact O-N 2.98Å; F986-F988 VanDerWaalsContact C-N 3.35Å; F988-T990 PolarHBondContact O-N 2.87Å; F988-I991 PolarHBondContact O-N 3.44Å; F988-Y992 AromaticContact CE1-CD1 3.6Å; F988-Y992 HydrophobicContact CE1-CD1 3.6Å; F988-Y992 HydrophobicContact CE1-CD2 4.46Å; F988-Y992 HydrophobicContact CE1-CE1 4.14Å; F988-Y992 AromaticContact CE1-CG 3.78Å; F988-Y992 HydrophobicContact CE1-CG 3.78Å; F988-Y992 HydrophobicContact CE2-CD1 4.34Å; F988-Y992 AromaticContact CE2-CD2 3.72Å; F988-Y992 HydrophobicContact CE2-CD2 3.72Å; F988-Y992 HydrophobicContact CE2-CE2 4.28Å; F988-Y992 AromaticContact CE2-CG 3.77Å; F988-Y992 HydrophobicContact CE2-CG 3.77Å; F988-Y992 AromaticContact CZ-CD1 3.46Å; F988-Y992 HydrophobicContact CZ-CD1 3.46Å; F988-Y992 VanDerWaalsContact CZ-CD1 3.46Å; F988-Y992 AromaticContact CZ-CD2 3.58Å; F988-Y992 HydrophobicContact CZ-CD2 3.58Å; F988-Y992 AromaticContact CZ-CE1 3.79Å; F988-Y992 HydrophobicContact CZ-CE1 3.79Å; F988-Y992 AromaticContact CZ-CE2 3.92Å; F988-Y992 HydrophobicContact CZ-CE2 3.92Å; F988-Y992 AromaticContact CZ-CG 3.34Å; F988-Y992 HydrophobicContact CZ-CG 3.34Å; F988-Y992 WeakPolarHBondContact O-CB 3.32Å; F988-Y992 PolarHBondContact O-N 3.24Å |
| 989 | L | 91.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -27.7 | 178.7 | -172.5 | 63.6 | 0 | 0 | 0 | 112.1 | N949 W985 F986 P993 M1008 D1009 V1012 Y1013 | N949-L989 HydrophobicContact CB-CD1 4.49Å; W985-L989 HydrophobicContact CZ2-CD1 4.48Å; W985-L989 HydrophobicContact CZ2-CD2 4.49Å; W985-L989 PolarHBondContact O-N 3.49Å; F986-L989 PolarHBondContact O-N 2.87Å; L989-P993 WeakPolarHBondContact O-CD 3.47Å; L989-P993 WeakPolarHBondContact O-CG 3.4Å; L989-M1008 HydrophobicContact CD1-CG 4.44Å; L989-D1009 WeakPolarHBondContact O-CB 3.31Å; L989-V1012 HydrophobicContact CD2-CB 4.4Å; L989-V1012 HydrophobicContact CD2-CG1 4.13Å; L989-Y1013 HydrophobicContact CD2-CE1 3.88Å |
| 990 | T | 92.2 | Very high | 89 | Confident | 59 Ų | 59 | 56 Ų | 56 | 36% | 0.362 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -77.9 | -40.1 | 174.7 | -52.6 | 0 | 0 | 0 | 0 | 112.4 | F986 L987 F988 H994 | F986-T990 PolarHBondContact O-N 3.42Å; F986-T990 PolarHBondContact O-OG1 3.46Å; L987-T990 PolarHBondContact O-N 3.05Å; F988-T990 PolarHBondContact O-N 2.87Å; T990-H994 PolarHBondContact O-CD2 2.91Å |
| 991 | I | 91 | Very high | 88.1 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -86.3 | -43.4 | -174 | -64.9 | 174.8 | 0 | 0 | 0 | 112.2 | L987 F988 H994 | L987-I991 HydrophobicContact CD1-CD1 3.73Å; L987-I991 HydrophobicContact CD1-CG1 4.33Å; L987-I991 HydrophobicContact CD2-CD1 4.39Å; L987-I991 HydrophobicContact CG-CD1 3.74Å; L987-I991 HydrophobicContact CG-CG1 4.5Å; L987-I991 WeakPolarHBondContact O-CG1 3.23Å; L987-I991 PolarHBondContact O-N 2.72Å; F988-I991 PolarHBondContact O-N 3.44Å; I991-H994 PolarHBondContact O-N 3.2Å |
| 992 | Y | 89.3 | Confident | 87.1 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -59.5 | -41.6 | -169.3 | -174.8 | -121.7 | 0 | 0 | 0 | 114.3 | E856 W858 F988 H994 V995 L1001 A1002 M1005 | E856-Y992 PolarHBondContact OE1-OH 2.98Å; W858-Y992 VanDerWaalsContact CB-OH 3.27Å; W858-Y992 WeakPolarHBondContact CB-OH 3.3Å; F988-Y992 AromaticContact CE1-CD1 3.6Å; F988-Y992 HydrophobicContact CE1-CD1 3.6Å; F988-Y992 HydrophobicContact CE1-CD2 4.46Å; F988-Y992 HydrophobicContact CE1-CE1 4.14Å; F988-Y992 AromaticContact CE1-CG 3.78Å; F988-Y992 HydrophobicContact CE1-CG 3.78Å; F988-Y992 HydrophobicContact CE2-CD1 4.34Å; F988-Y992 AromaticContact CE2-CD2 3.72Å; F988-Y992 HydrophobicContact CE2-CD2 3.72Å; F988-Y992 HydrophobicContact CE2-CE2 4.28Å; F988-Y992 AromaticContact CE2-CG 3.77Å; F988-Y992 HydrophobicContact CE2-CG 3.77Å; F988-Y992 AromaticContact CZ-CD1 3.46Å; F988-Y992 HydrophobicContact CZ-CD1 3.46Å; F988-Y992 VanDerWaalsContact CZ-CD1 3.46Å; F988-Y992 AromaticContact CZ-CD2 3.58Å; F988-Y992 HydrophobicContact CZ-CD2 3.58Å; F988-Y992 AromaticContact CZ-CE1 3.79Å; F988-Y992 HydrophobicContact CZ-CE1 3.79Å; F988-Y992 AromaticContact CZ-CE2 3.92Å; F988-Y992 HydrophobicContact CZ-CE2 3.92Å; F988-Y992 AromaticContact CZ-CG 3.34Å; F988-Y992 HydrophobicContact CZ-CG 3.34Å; F988-Y992 WeakPolarHBondContact O-CB 3.32Å; F988-Y992 PolarHBondContact O-N 3.24Å; Y992-H994 PolarHBondContact O-N 3.03Å; Y992-V995 WeakPolarHBondContact O-CB 3.08Å; Y992-V995 PolarHBondContact O-N 3.25Å; Y992-L1001 HydrophobicContact CE2-CD2 3.86Å; Y992-A1002 HydrophobicContact CD1-CB 4.3Å; Y992-A1002 HydrophobicContact CD2-CB 4.49Å; Y992-A1002 HydrophobicContact CE1-CB 3.59Å; Y992-A1002 HydrophobicContact CE2-CB 3.8Å; Y992-A1002 VanDerWaalsContact OH-CB 3.26Å; Y992-A1002 WeakPolarHBondContact OH-CB 3.38Å; Y992-M1005 HydrophobicContact CD1-CB 4.22Å; Y992-M1005 HydrophobicContact CD1-CG 3.93Å; Y992-M1005 HydrophobicContact CE1-CB 4.33Å; Y992-M1005 HydrophobicContact CE1-CG 3.71Å |
| 993 | P | 88.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.019 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -54.2 | -30.9 | 172 | -34.2 | 42.9 | 0 | 0 | 0 | 115.6 | L989 M1005 M1008 D1009 | L989-P993 WeakPolarHBondContact O-CD 3.47Å; L989-P993 WeakPolarHBondContact O-CG 3.4Å; P993-M1005 WeakPolarHBondContact CA-O 3.5Å; P993-M1005 WeakPolarHBondContact CB-O 3.27Å; P993-M1005 WeakPolarHBondContact CG-O 3.47Å; P993-M1008 HydrophobicContact CG-CB 4.16Å; P993-D1009 HydrophobicContact CG-CB 4.2Å |
| 994 | H | 87.9 | Confident | 85.9 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 46% | 0.458 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -91.1 | 2.2 | -176.1 | -63.9 | -63.7 | 0 | 0 | 0 | 113.6 | T990 I991 Y992 P997 D1009 F1010 | T990-H994 PolarHBondContact O-CD2 2.91Å; I991-H994 PolarHBondContact O-N 3.2Å; Y992-H994 PolarHBondContact O-N 3.03Å; H994-P997 WeakPolarHBondContact O-CD 3.18Å; H994-D1009 IonicContact CD2-OD2 3.22Å; H994-D1009 IonicContact CE1-OD2 3.93Å; H994-D1009 IonicContact NE2-OD1 2.8Å; H994-D1009 IonicContact NE2-OD2 3.55Å; H994-D1009 PolarHBondContact NE2-OD2 2.98Å; H994-F1010 AromaticContact CE1-CE2 3.91Å |
| 995 | V | 84.9 | Confident | 85.6 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 21% | 0.212 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -77.5 | -33.6 | 178.7 | 177 | 0 | 0 | 0 | 0 | 111.6 | Y992 P997 T998 L999 | Y992-V995 WeakPolarHBondContact O-CB 3.08Å; Y992-V995 PolarHBondContact O-N 3.25Å; V995-P997 VanDerWaalsContact C-CD 3.41Å; V995-T998 PolarHBondContact O-N 3.19Å; V995-T998 PolarHBondContact O-OG1 3.02Å; V995-L999 HydrophobicContact CG1-CB 4.07Å; V995-L999 HydrophobicContact CG1-CD1 4.23Å; V995-L999 PolarHBondContact O-N 3.46Å |
| 996 | Y | 78.4 | Confident | 85.3 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -40 | -172.9 | -175.1 | -108.3 | 0 | 0 | 0 | 115.6 | T998 L999 L1001 S1003 V1006 | Y996-T998 PolarHBondContact O-N 3.47Å; Y996-L999 CarbonylContact C-O 3.54Å; Y996-L999 WeakPolarHBondContact CA-O 3.39Å; Y996-L999 CarbonylContact O-C 3.42Å; Y996-L1001 WeakPolarHBondContact CD2-O 3.19Å; Y996-S1003 VanDerWaalsContact CD2-CA 3.46Å; Y996-S1003 VanDerWaalsContact CE2-CB 3.43Å; Y996-V1006 HydrophobicContact CD1-CG2 3.66Å; Y996-V1006 HydrophobicContact CG-CG2 3.8Å |
| 997 | P | 75.7 | Confident | 85 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 69% | 0.688 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.8 | 176.4 | -22.6 | 34.4 | 0 | 0 | 0 | 114 | H994 V995 | H994-P997 WeakPolarHBondContact O-CD 3.18Å; V995-P997 VanDerWaalsContact C-CD 3.41Å |
| 998 | T | 82.4 | Confident | 84.8 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 68% | 0.681 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -37.4 | -177 | 62.8 | 0 | 0 | 0 | 0 | 113.1 | V995 Y996 | V995-T998 PolarHBondContact O-N 3.19Å; V995-T998 PolarHBondContact O-OG1 3.02Å; Y996-T998 PolarHBondContact O-N 3.47Å |
| 999 | L | 79.6 | Confident | 84.7 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 56% | 0.555 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -132.4 | 130.2 | 177.7 | -69.6 | 167.7 | 0 | 0 | 0 | 106.8 | V995 Y996 L1001 | V995-L999 HydrophobicContact CG1-CB 4.07Å; V995-L999 HydrophobicContact CG1-CD1 4.23Å; V995-L999 PolarHBondContact O-N 3.46Å; Y996-L999 CarbonylContact C-O 3.54Å; Y996-L999 WeakPolarHBondContact CA-O 3.39Å; Y996-L999 CarbonylContact O-C 3.42Å; L999-L1001 PolarHBondContact O-N 3.32Å |
| 1000 | P | 79.6 | Confident | 84.6 | Confident | 125 Ų | 125 | 65.5 Ų | 65.5 | 81% | 0.812 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -72.9 | 56.5 | -178.5 | 32 | -36.9 | 0 | 0 | 0 | 111.8 | ||
| 1001 | L | 74.7 | Confident | 84.5 | Confident | 70 Ų | 70 | 64 Ų | 64 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | trans | -120.7 | 136.9 | -179.7 | -158.3 | 108.1 | 0 | 0 | 0 | 107.4 | W858 Y992 Y996 L999 | W858-L1001 HydrophobicContact CZ2-CD1 4.31Å; Y992-L1001 HydrophobicContact CE2-CD2 3.86Å; Y996-L1001 WeakPolarHBondContact CD2-O 3.19Å; L999-L1001 PolarHBondContact O-N 3.32Å | ||
| 1002 | A | 75.5 | Confident | 84.5 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 13% | 0.132 | 34% | 0.337 | C | S | . | . | trans | 63.8 | 43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y992 D1004 M1005 | Y992-A1002 HydrophobicContact CD1-CB 4.3Å; Y992-A1002 HydrophobicContact CD2-CB 4.49Å; Y992-A1002 HydrophobicContact CE1-CB 3.59Å; Y992-A1002 HydrophobicContact CE2-CB 3.8Å; Y992-A1002 VanDerWaalsContact OH-CB 3.26Å; Y992-A1002 WeakPolarHBondContact OH-CB 3.38Å; A1002-D1004 PolarHBondContact O-N 2.99Å; A1002-M1005 HydrophobicContact CB-CB 4.17Å; A1002-M1005 HydrophobicContact CB-CG 4.24Å; A1002-M1005 PolarHBondContact O-N 2.87Å | ||
| 1003 | S | 82.2 | Confident | 84.6 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -48.3 | -35.9 | 173.4 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | Y996 M1005 V1006 | Y996-S1003 VanDerWaalsContact CD2-CA 3.46Å; Y996-S1003 VanDerWaalsContact CE2-CB 3.43Å; S1003-M1005 VanDerWaalsContact C-N 3.26Å; S1003-M1005 PolarHBondContact O-N 2.95Å; S1003-V1006 WeakPolarHBondContact O-CG2 3.41Å |
| 1004 | D | 83.5 | Confident | 84.6 | Confident | 91 Ų | 91 | 63.5 Ų | 63.5 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -77 | -14 | -173.5 | -52.8 | -12.8 | 0 | 0 | 0 | 112.5 | L945 A1002 | L945-D1004 HydrophobicContact CD1-CB 4.03Å; L945-D1004 WeakPolarHBondContact CD1-O 3.47Å; A1002-D1004 PolarHBondContact O-N 2.99Å |
| 1005 | M | 87 | Confident | 84.6 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -96.3 | -2.2 | -178.1 | -67.3 | -69.9 | 101 | 0 | 0 | 113.9 | E856 L945 Y992 P993 A1002 S1003 G1007 M1008 | E856-M1005 HydrophobicContact CB-CE 3.71Å; E856-M1005 HydrophobicContact CB-CG 4.43Å; E856-M1005 HydrophobicContact CB-SD 3.93Å; E856-M1005 HydrophobicContact CG-CE 3.84Å; E856-M1005 HydrophobicContact CG-CG 3.84Å; E856-M1005 HydrophobicContact CG-SD 4Å; L945-M1005 HydrophobicContact CB-CE 4.18Å; L945-M1005 HydrophobicContact CD1-CE 3.88Å; L945-M1005 HydrophobicContact CD2-CE 3.83Å; L945-M1005 HydrophobicContact CG-CE 4.18Å; Y992-M1005 HydrophobicContact CD1-CB 4.22Å; Y992-M1005 HydrophobicContact CD1-CG 3.93Å; Y992-M1005 HydrophobicContact CE1-CB 4.33Å; Y992-M1005 HydrophobicContact CE1-CG 3.71Å; P993-M1005 WeakPolarHBondContact CA-O 3.5Å; P993-M1005 WeakPolarHBondContact CB-O 3.27Å; P993-M1005 WeakPolarHBondContact CG-O 3.47Å; A1002-M1005 HydrophobicContact CB-CB 4.17Å; A1002-M1005 HydrophobicContact CB-CG 4.24Å; A1002-M1005 PolarHBondContact O-N 2.87Å; S1003-M1005 VanDerWaalsContact C-N 3.26Å; S1003-M1005 PolarHBondContact O-N 2.95Å; M1005-G1007 PolarHBondContact O-N 3.1Å; M1005-M1008 HydrophobicContact CE-CE 3.99Å; M1005-M1008 WeakPolarHBondContact O-CB 3.37Å; M1005-M1008 PolarHBondContact O-N 3.36Å; M1005-M1008 HydrophobicContact SD-CB 4.48Å; M1005-M1008 HydrophobicContact SD-CG 4.27Å |
| 1006 | V | 87.5 | Confident | 84.8 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 49% | 0.485 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 123.8 | -177.7 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | Y996 S1003 M1008 | Y996-V1006 HydrophobicContact CD1-CG2 3.66Å; Y996-V1006 HydrophobicContact CG-CG2 3.8Å; S1003-V1006 WeakPolarHBondContact O-CG2 3.41Å; V1006-M1008 VanDerWaalsContact C-N 3.27Å; V1006-M1008 PolarHBondContact O-N 3.4Å |
| 1007 | G | 87.2 | Confident | 85.3 | Confident | 30 Ų | 30 | 57 Ų | 57 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 10.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1005 D1009 F1010 A1011 | M1005-G1007 PolarHBondContact O-N 3.1Å; G1007-D1009 VanDerWaalsContact C-N 3.31Å; G1007-D1009 PolarHBondContact O-N 2.84Å; G1007-F1010 PolarHBondContact O-N 3.38Å; G1007-A1011 PolarHBondContact O-N 3.38Å; G1007-A1011 VanDerWaalsContact O-N 3.16Å |
| 1008 | M | 89.8 | Confident | 86.1 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.2 | -29.9 | -178 | -167.1 | 61 | 59.7 | 0 | 0 | 113.1 | L945 V946 N949 L989 P993 M1005 V1006 A1011 V1012 | L945-M1008 HydrophobicContact CB-CE 3.33Å; L945-M1008 HydrophobicContact CB-SD 4.21Å; L945-M1008 HydrophobicContact CD1-CE 4.02Å; L945-M1008 HydrophobicContact CG-CE 4.32Å; V946-M1008 HydrophobicContact CG2-SD 3.8Å; N949-M1008 WeakPolarHBondContact ND2-CG 2.95Å; L989-M1008 HydrophobicContact CD1-CG 4.44Å; P993-M1008 HydrophobicContact CG-CB 4.16Å; M1005-M1008 HydrophobicContact CE-CE 3.99Å; M1005-M1008 WeakPolarHBondContact O-CB 3.37Å; M1005-M1008 PolarHBondContact O-N 3.36Å; M1005-M1008 HydrophobicContact SD-CB 4.48Å; M1005-M1008 HydrophobicContact SD-CG 4.27Å; V1006-M1008 VanDerWaalsContact C-N 3.27Å; V1006-M1008 PolarHBondContact O-N 3.4Å; M1008-A1011 PolarHBondContact O-N 3.37Å; M1008-V1012 HydrophobicContact CG-CG2 3.98Å; M1008-V1012 WeakPolarHBondContact O-CB 3.35Å; M1008-V1012 VanDerWaalsContact O-CG2 3.29Å; M1008-V1012 WeakPolarHBondContact O-CG2 2.78Å; M1008-V1012 PolarHBondContact O-N 3.03Å; M1008-V1012 HydrophobicContact SD-CG2 3.95Å |
| 1009 | D | 90.7 | Very high | 86.6 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.3 | -51.8 | 173.8 | 57.2 | -32.9 | 0 | 0 | 0 | 111.4 | L989 P993 H994 G1007 A1011 Y1013 | L989-D1009 WeakPolarHBondContact O-CB 3.31Å; P993-D1009 HydrophobicContact CG-CB 4.2Å; H994-D1009 IonicContact CD2-OD2 3.22Å; H994-D1009 IonicContact CE1-OD2 3.93Å; H994-D1009 IonicContact NE2-OD1 2.8Å; H994-D1009 IonicContact NE2-OD2 3.55Å; H994-D1009 PolarHBondContact NE2-OD2 2.98Å; G1007-D1009 VanDerWaalsContact C-N 3.31Å; G1007-D1009 PolarHBondContact O-N 2.84Å; D1009-A1011 VanDerWaalsContact C-N 3.34Å; D1009-A1011 PolarHBondContact O-N 2.84Å; D1009-Y1013 HydrophobicContact CB-CD2 4.44Å; D1009-Y1013 HydrophobicContact CB-CE2 4.42Å; D1009-Y1013 VanDerWaalsContact O-CB 3.27Å; D1009-Y1013 WeakPolarHBondContact O-CB 3.47Å; D1009-Y1013 WeakPolarHBondContact O-CD2 3.33Å; D1009-Y1013 PolarHBondContact O-N 3.15Å |
| 1010 | F | 89.6 | Confident | 87.2 | Confident | 150 Ų | 150 | 53.9 Ų | 53.9 | 66% | 0.658 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.2 | -38.5 | 177.4 | -70.6 | -76.5 | 0 | 0 | 0 | 112.1 | H994 G1007 G1014 | H994-F1010 AromaticContact CE1-CE2 3.91Å; G1007-F1010 PolarHBondContact O-N 3.38Å; F1010-G1014 WeakPolarHBondContact O-CA 3.28Å; F1010-G1014 PolarHBondContact O-N 3.45Å |
| 1011 | A | 89.5 | Confident | 87.8 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -49 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y936 V946 G1007 M1008 D1009 | Y936-A1011 WeakPolarHBondContact CE1-O 3.48Å; Y936-A1011 PolarHBondContact OH-O 3.02Å; V946-A1011 HydrophobicContact CG2-CB 3.91Å; G1007-A1011 PolarHBondContact O-N 3.38Å; G1007-A1011 VanDerWaalsContact O-N 3.16Å; M1008-A1011 PolarHBondContact O-N 3.37Å; D1009-A1011 VanDerWaalsContact C-N 3.34Å; D1009-A1011 PolarHBondContact O-N 2.84Å |
| 1012 | V | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.9 | -48.4 | -178.3 | 175.7 | 0 | 0 | 0 | 0 | 111 | V946 N949 L989 M1008 G1014 C1015 F1018 | V946-V1012 HydrophobicContact CG1-CG2 4.4Å; N949-V1012 HydrophobicContact CB-CG2 3.82Å; L989-V1012 HydrophobicContact CD2-CB 4.4Å; L989-V1012 HydrophobicContact CD2-CG1 4.13Å; M1008-V1012 HydrophobicContact CG-CG2 3.98Å; M1008-V1012 WeakPolarHBondContact O-CB 3.35Å; M1008-V1012 VanDerWaalsContact O-CG2 3.29Å; M1008-V1012 WeakPolarHBondContact O-CG2 2.78Å; M1008-V1012 PolarHBondContact O-N 3.03Å; M1008-V1012 HydrophobicContact SD-CG2 3.95Å; V1012-G1014 VanDerWaalsContact C-N 3.35Å; V1012-G1014 PolarHBondContact O-N 3.24Å; V1012-C1015 WeakPolarHBondContact O-CB 3.48Å; V1012-C1015 PolarHBondContact O-N 2.89Å; V1012-F1018 HydrophobicContact CG1-CD1 4Å; V1012-F1018 HydrophobicContact CG1-CD2 3.55Å; V1012-F1018 HydrophobicContact CG1-CE1 3.98Å; V1012-F1018 HydrophobicContact CG1-CE2 3.49Å; V1012-F1018 VanDerWaalsContact CG1-CE2 3.49Å; V1012-F1018 HydrophobicContact CG1-CG 3.79Å; V1012-F1018 HydrophobicContact CG1-CZ 3.71Å; V1012-F1018 WeakPolarHBondContact O-CD1 3.43Å |
| 1013 | Y | 91.5 | Very high | 89.4 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.5 | -24.6 | -178 | -61 | -29.6 | 0 | 0 | 0 | 113.6 | F986 L989 D1009 C1015 F1018 W1019 | F986-Y1013 AromaticContact CD1-CE1 3.8Å; F986-Y1013 HydrophobicContact CD1-CE1 3.8Å; F986-Y1013 AromaticContact CD1-CZ 3.89Å; F986-Y1013 WeakPolarHBondContact CD1-OH 3.27Å; F986-Y1013 AromaticContact CE1-CE1 3.92Å; F986-Y1013 HydrophobicContact CE1-CE1 3.92Å; F986-Y1013 PolarHBondContact O-OH 2.95Å; F986-Y1013 VanDerWaalsContact O-OH 3.1Å; L989-Y1013 HydrophobicContact CD2-CE1 3.88Å; D1009-Y1013 HydrophobicContact CB-CD2 4.44Å; D1009-Y1013 HydrophobicContact CB-CE2 4.42Å; D1009-Y1013 VanDerWaalsContact O-CB 3.27Å; D1009-Y1013 WeakPolarHBondContact O-CB 3.47Å; D1009-Y1013 WeakPolarHBondContact O-CD2 3.33Å; D1009-Y1013 PolarHBondContact O-N 3.15Å; Y1013-C1015 PolarHBondContact O-N 3.31Å; Y1013-F1018 AromaticContact CD1-CE1 3.82Å; Y1013-F1018 HydrophobicContact CD1-CE1 3.82Å; Y1013-F1018 HydrophobicContact CD1-CZ 4.37Å; Y1013-F1018 HydrophobicContact CE1-CE1 4.18Å; Y1013-F1018 HydrophobicContact CE1-CZ 4.33Å; Y1013-W1019 HydrophobicContact CD1-CH2 4.32Å; Y1013-W1019 AromaticContact CD1-CZ2 3.86Å; Y1013-W1019 HydrophobicContact CD1-CZ2 3.86Å; Y1013-W1019 HydrophobicContact CG-CZ2 4.26Å; Y1013-W1019 PolarHBondContact O-NE1 3.47Å |
| 1014 | G | 88.5 | Confident | 90 | Very high | 53 Ų | 53 | 52 Ų | 52 | 55% | 0.546 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | F1010 V1012 | F1010-G1014 WeakPolarHBondContact O-CA 3.28Å; F1010-G1014 PolarHBondContact O-N 3.45Å; V1012-G1014 VanDerWaalsContact C-N 3.35Å; V1012-G1014 PolarHBondContact O-N 3.24Å |
| 1015 | C | 88 | Confident | 90.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -85.1 | 117 | -178.5 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | V935 Y936 V1012 Y1013 I1017 F1018 | V935-C1015 HydrophobicContact CG1-CB 4.5Å; V935-C1015 WeakPolarHBondContact CG1-SG 3.49Å; Y936-C1015 HydrophobicContact CE1-CB 3.87Å; V1012-C1015 WeakPolarHBondContact O-CB 3.48Å; V1012-C1015 PolarHBondContact O-N 2.89Å; Y1013-C1015 PolarHBondContact O-N 3.31Å; C1015-I1017 VanDerWaalsContact C-N 3.31Å; C1015-I1017 PolarHBondContact O-N 2.74Å; C1015-F1018 HydrophobicContact CB-CB 3.88Å; C1015-F1018 WeakPolarHBondContact O-CB 3.3Å; C1015-F1018 PolarHBondContact O-N 2.86Å; C1015-F1018 PolarHBondContact SG-N 3.37Å; C1015-F1018 VanDerWaalsContact SG-N 3.41Å | ||
| 1016 | G | 88.1 | Confident | 90.8 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64 | -34.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1018 W1019 F1020 | G1016-F1018 VanDerWaalsContact C-N 3.26Å; G1016-F1018 PolarHBondContact O-N 3.2Å; G1016-W1019 PolarHBondContact O-N 3.24Å; G1016-F1020 PolarHBondContact O-N 2.92Å; G1016-F1020 VanDerWaalsContact O-N 3.16Å |
| 1017 | I | 89.8 | Confident | 91.1 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -34.7 | 177 | -56.2 | -173.9 | 0 | 0 | 0 | 110.7 | A929 F930 V935 C1015 F1020 G1021 | A929-I1017 HydrophobicContact CB-CG2 3.85Å; F930-I1017 HydrophobicContact CD2-CG2 4.37Å; F930-I1017 HydrophobicContact CE2-CG2 4.19Å; F930-I1017 HydrophobicContact CZ-CG2 4.4Å; V935-I1017 HydrophobicContact CB-CD1 4.42Å; V935-I1017 HydrophobicContact CG1-CB 4.48Å; V935-I1017 HydrophobicContact CG1-CD1 3.9Å; V935-I1017 HydrophobicContact CG1-CG1 4.25Å; V935-I1017 HydrophobicContact CG2-CD1 4.29Å; C1015-I1017 VanDerWaalsContact C-N 3.31Å; C1015-I1017 PolarHBondContact O-N 2.74Å; I1017-F1020 PolarHBondContact O-N 3.31Å; I1017-G1021 PolarHBondContact O-N 3.12Å |
| 1018 | F | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 176.4 | 166.9 | -100.1 | 0 | 0 | 0 | 111.8 | T953 Y954 F986 V1012 Y1013 C1015 G1016 F1020 G1021 F1022 | T953-F1018 HydrophobicContact CG2-CE2 3.98Å; T953-F1018 HydrophobicContact CG2-CZ 3.95Å; Y954-F1018 HydrophobicContact CE1-CD2 4.13Å; Y954-F1018 HydrophobicContact CE1-CE2 4.19Å; Y954-F1018 WeakPolarHBondContact OH-CA 3.48Å; Y954-F1018 PolarHBondContact OH-O 3.26Å; F986-F1018 HydrophobicContact CE1-CZ 4.35Å; V1012-F1018 HydrophobicContact CG1-CD1 4Å; V1012-F1018 HydrophobicContact CG1-CD2 3.55Å; V1012-F1018 HydrophobicContact CG1-CE1 3.98Å; V1012-F1018 HydrophobicContact CG1-CE2 3.49Å; V1012-F1018 VanDerWaalsContact CG1-CE2 3.49Å; V1012-F1018 HydrophobicContact CG1-CG 3.79Å; V1012-F1018 HydrophobicContact CG1-CZ 3.71Å; V1012-F1018 WeakPolarHBondContact O-CD1 3.43Å; Y1013-F1018 AromaticContact CD1-CE1 3.82Å; Y1013-F1018 HydrophobicContact CD1-CE1 3.82Å; Y1013-F1018 HydrophobicContact CD1-CZ 4.37Å; Y1013-F1018 HydrophobicContact CE1-CE1 4.18Å; Y1013-F1018 HydrophobicContact CE1-CZ 4.33Å; C1015-F1018 HydrophobicContact CB-CB 3.88Å; C1015-F1018 WeakPolarHBondContact O-CB 3.3Å; C1015-F1018 PolarHBondContact O-N 2.86Å; C1015-F1018 PolarHBondContact SG-N 3.37Å; C1015-F1018 VanDerWaalsContact SG-N 3.41Å; G1016-F1018 VanDerWaalsContact C-N 3.26Å; G1016-F1018 PolarHBondContact O-N 3.2Å; F1018-F1020 PolarHBondContact O-N 3.33Å; F1018-G1021 PolarHBondContact O-N 2.87Å; F1018-F1022 VanDerWaalsContact O-CB 3.26Å; F1018-F1022 WeakPolarHBondContact O-CB 3.37Å; F1018-F1022 PolarHBondContact O-N 3.33Å |
| 1019 | W | 93 | Very high | 91.7 | Very high | 114 Ų | 114 | 51 Ų | 51 | 43% | 0.432 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.6 | -35.3 | -179.9 | -68.2 | 109.3 | 0 | 0 | 0 | 113.3 | F986 Y1013 G1016 F1022 L1023 | F986-W1019 HydrophobicContact CE1-CH2 4.27Å; F986-W1019 HydrophobicContact CE1-CZ3 4.42Å; Y1013-W1019 HydrophobicContact CD1-CH2 4.32Å; Y1013-W1019 AromaticContact CD1-CZ2 3.86Å; Y1013-W1019 HydrophobicContact CD1-CZ2 3.86Å; Y1013-W1019 HydrophobicContact CG-CZ2 4.26Å; Y1013-W1019 PolarHBondContact O-NE1 3.47Å; G1016-W1019 PolarHBondContact O-N 3.24Å; W1019-F1022 HydrophobicContact CE3-CD1 4.22Å; W1019-F1022 HydrophobicContact CZ3-CD1 4.46Å; W1019-F1022 PolarHBondContact O-N 2.93Å; W1019-L1023 PolarHBondContact O-N 3.09Å |
| 1020 | F | 92.2 | Very high | 91.8 | Very high | 145 Ų | 145 | 51.1 Ų | 51.1 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.4 | -44.4 | 174.5 | -170.3 | -108.8 | 0 | 0 | 0 | 111.7 | G1016 I1017 F1018 F1022 L1023 L1024 | G1016-F1020 PolarHBondContact O-N 2.92Å; G1016-F1020 VanDerWaalsContact O-N 3.16Å; I1017-F1020 PolarHBondContact O-N 3.31Å; F1018-F1020 PolarHBondContact O-N 3.33Å; F1020-F1022 VanDerWaalsContact C-N 3.33Å; F1020-F1022 PolarHBondContact O-N 3Å; F1020-L1023 PolarHBondContact O-N 2.99Å; F1020-L1024 HydrophobicContact CD1-CD1 3.75Å; F1020-L1024 HydrophobicContact CD2-CD1 4.16Å; F1020-L1024 HydrophobicContact CE1-CD1 3.21Å; F1020-L1024 HydrophobicContact CE2-CD1 3.66Å; F1020-L1024 HydrophobicContact CG-CD1 4.22Å; F1020-L1024 HydrophobicContact CZ-CD1 3.17Å; F1020-L1024 HydrophobicContact CZ-CG 4.43Å; F1020-L1024 PolarHBondContact O-N 3.42Å; F1020-L1024 VanDerWaalsContact O-N 3.13Å |
| 1021 | G | 92.2 | Very high | 92 | Very high | 7 Ų | 7 | 48 Ų | 48 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1017 F1018 L1023 L1024 I1025 | I1017-G1021 PolarHBondContact O-N 3.12Å; F1018-G1021 PolarHBondContact O-N 2.87Å; G1021-L1023 VanDerWaalsContact C-N 3.3Å; G1021-L1023 PolarHBondContact O-N 3.32Å; G1021-L1024 PolarHBondContact O-N 3.23Å; G1021-I1025 VanDerWaalsContact O-CB 3.26Å; G1021-I1025 WeakPolarHBondContact O-CB 3.19Å; G1021-I1025 VanDerWaalsContact O-CG1 3.28Å; G1021-I1025 WeakPolarHBondContact O-CG1 3.37Å; G1021-I1025 PolarHBondContact O-N 3.07Å |
| 1022 | F | 92.5 | Very high | 92.2 | Very high | 58 Ų | 58 | 51 Ų | 51 | 25% | 0.254 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 177.7 | 170.7 | -100.8 | 0 | 0 | 0 | 112.6 | T953 Y954 V957 F986 F1018 W1019 F1020 P1026 | T953-F1022 HydrophobicContact CG2-CD2 4.21Å; Y954-F1022 HydrophobicContact CD1-CB 4.39Å; Y954-F1022 HydrophobicContact CE1-CB 3.87Å; V957-F1022 HydrophobicContact CG2-CD2 4.27Å; V957-F1022 HydrophobicContact CG2-CE2 3.68Å; F986-F1022 AromaticContact CE2-CE2 3.84Å; F986-F1022 HydrophobicContact CE2-CE2 3.84Å; F986-F1022 HydrophobicContact CE2-CZ 4.3Å; F986-F1022 HydrophobicContact CZ-CD2 4.03Å; F986-F1022 AromaticContact CZ-CE2 3.47Å; F986-F1022 HydrophobicContact CZ-CE2 3.47Å; F986-F1022 VanDerWaalsContact CZ-CE2 3.47Å; F986-F1022 HydrophobicContact CZ-CZ 4.01Å; F1018-F1022 VanDerWaalsContact O-CB 3.26Å; F1018-F1022 WeakPolarHBondContact O-CB 3.37Å; F1018-F1022 PolarHBondContact O-N 3.33Å; W1019-F1022 HydrophobicContact CE3-CD1 4.22Å; W1019-F1022 HydrophobicContact CZ3-CD1 4.46Å; W1019-F1022 PolarHBondContact O-N 2.93Å; F1020-F1022 VanDerWaalsContact C-N 3.33Å; F1020-F1022 PolarHBondContact O-N 3Å; F1022-P1026 VanDerWaalsContact O-CD 3.23Å; F1022-P1026 WeakPolarHBondContact O-CD 3.38Å; F1022-P1026 WeakPolarHBondContact O-CG 3.45Å |
| 1023 | L | 91.9 | Very high | 92.3 | Very high | 109 Ų | 109 | 51 Ų | 51 | 57% | 0.571 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -78.8 | -46.5 | 178.1 | -174.5 | 67.8 | 0 | 0 | 0 | 112.2 | W1019 F1020 G1021 M1027 | W1019-L1023 PolarHBondContact O-N 3.09Å; F1020-L1023 PolarHBondContact O-N 2.99Å; G1021-L1023 VanDerWaalsContact C-N 3.3Å; G1021-L1023 PolarHBondContact O-N 3.32Å; L1023-M1027 HydrophobicContact CG-CE 4.24Å; L1023-M1027 WeakPolarHBondContact O-CG 3.44Å |
| 1024 | L | 93.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -82.7 | -41.6 | -169.2 | -72.5 | 176.5 | 0 | 0 | 0 | 114.1 | F1020 G1021 M1027 I1028 | F1020-L1024 HydrophobicContact CD1-CD1 3.75Å; F1020-L1024 HydrophobicContact CD2-CD1 4.16Å; F1020-L1024 HydrophobicContact CE1-CD1 3.21Å; F1020-L1024 HydrophobicContact CE2-CD1 3.66Å; F1020-L1024 HydrophobicContact CG-CD1 4.22Å; F1020-L1024 HydrophobicContact CZ-CD1 3.17Å; F1020-L1024 HydrophobicContact CZ-CG 4.43Å; F1020-L1024 PolarHBondContact O-N 3.42Å; F1020-L1024 VanDerWaalsContact O-N 3.13Å; G1021-L1024 PolarHBondContact O-N 3.23Å; L1024-M1027 HydrophobicContact CD2-CE 4.39Å; L1024-M1027 PolarHBondContact O-N 3.49Å; L1024-I1028 HydrophobicContact CB-CD1 4.47Å; L1024-I1028 VanDerWaalsContact O-CG1 3.31Å; L1024-I1028 WeakPolarHBondContact O-CG1 3.31Å; L1024-I1028 PolarHBondContact O-N 3.35Å |
| 1025 | I | 94.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -46.8 | -167.9 | -59.7 | 176.7 | 0 | 0 | 0 | 111.3 | L922 I925 P926 Y954 G1021 M1027 I1028 A1029 | L922-I1025 HydrophobicContact CD2-CG2 3.86Å; I925-I1025 HydrophobicContact CB-CD1 4.36Å; I925-I1025 HydrophobicContact CG2-CD1 3.81Å; I925-I1025 HydrophobicContact CG2-CG1 3.86Å; P926-I1025 HydrophobicContact CB-CD1 4.5Å; P926-I1025 HydrophobicContact CG-CD1 3.61Å; Y954-I1025 HydrophobicContact CD2-CD1 3.86Å; Y954-I1025 HydrophobicContact CE2-CD1 3.67Å; G1021-I1025 VanDerWaalsContact O-CB 3.26Å; G1021-I1025 WeakPolarHBondContact O-CB 3.19Å; G1021-I1025 VanDerWaalsContact O-CG1 3.28Å; G1021-I1025 WeakPolarHBondContact O-CG1 3.37Å; G1021-I1025 PolarHBondContact O-N 3.07Å; I1025-M1027 VanDerWaalsContact C-N 3.3Å; I1025-M1027 PolarHBondContact O-N 2.92Å; I1025-I1028 PolarHBondContact O-N 2.93Å; I1025-A1029 PolarHBondContact O-N 3.3Å |
| 1026 | P | 93.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 172.1 | -25.2 | 36.5 | 0 | 0 | 0 | 113.1 | V957 T958 L961 F1022 A1029 L1030 | V957-P1026 HydrophobicContact CB-CG 4.31Å; V957-P1026 HydrophobicContact CG1-CB 4.08Å; V957-P1026 HydrophobicContact CG1-CG 3.92Å; T958-P1026 WeakPolarHBondContact OG1-CA 3.47Å; T958-P1026 WeakPolarHBondContact OG1-CB 3.33Å; L961-P1026 HydrophobicContact CD1-CB 4.45Å; F1022-P1026 VanDerWaalsContact O-CD 3.23Å; F1022-P1026 WeakPolarHBondContact O-CD 3.38Å; F1022-P1026 WeakPolarHBondContact O-CG 3.45Å; P1026-A1029 PolarHBondContact O-N 3.19Å; P1026-L1030 WeakPolarHBondContact O-CB 3.42Å; P1026-L1030 WeakPolarHBondContact O-CD1 3.5Å; P1026-L1030 WeakPolarHBondContact O-CG 3.49Å; P1026-L1030 PolarHBondContact O-N 3.33Å |
| 1027 | M | 93.5 | Very high | 92.7 | Very high | 106 Ų | 106 | 57.9 Ų | 57.9 | 52% | 0.522 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 177.5 | -75.7 | -151.8 | -64.5 | 0 | 0 | 112.2 | L1023 L1024 I1025 A1029 L1030 T1031 | L1023-M1027 HydrophobicContact CG-CE 4.24Å; L1023-M1027 WeakPolarHBondContact O-CG 3.44Å; L1024-M1027 HydrophobicContact CD2-CE 4.39Å; L1024-M1027 PolarHBondContact O-N 3.49Å; I1025-M1027 VanDerWaalsContact C-N 3.3Å; I1025-M1027 PolarHBondContact O-N 2.92Å; M1027-A1029 PolarHBondContact O-N 3.22Å; M1027-L1030 PolarHBondContact O-N 3.44Å; M1027-T1031 PolarHBondContact O-N 3Å; M1027-T1031 PolarHBondContact O-OG1 3.34Å |
| 1028 | I | 94.6 | Very high | 92.7 | Very high | 74 Ų | 74 | 61.7 Ų | 61.7 | 38% | 0.379 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 177.5 | -68.2 | 165.5 | 0 | 0 | 0 | 110.2 | L921 I925 L1024 I1025 L1030 T1031 | L921-I1028 HydrophobicContact CD1-CG2 4.46Å; I925-I1028 HydrophobicContact CD1-CG2 4.38Å; L1024-I1028 HydrophobicContact CB-CD1 4.47Å; L1024-I1028 VanDerWaalsContact O-CG1 3.31Å; L1024-I1028 WeakPolarHBondContact O-CG1 3.31Å; L1024-I1028 PolarHBondContact O-N 3.35Å; I1025-I1028 PolarHBondContact O-N 2.93Å; I1028-L1030 VanDerWaalsContact C-N 3.35Å; I1028-L1030 PolarHBondContact O-N 3.08Å; I1028-T1031 PolarHBondContact O-N 3.13Å |
| 1029 | A | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L921 T958 I1025 P1026 M1027 | L921-A1029 HydrophobicContact CD1-CB 4.39Å; T958-A1029 HydrophobicContact CG2-CB 3.87Å; I1025-A1029 PolarHBondContact O-N 3.3Å; P1026-A1029 PolarHBondContact O-N 3.19Å; M1027-A1029 PolarHBondContact O-N 3.22Å |
| 1030 | L | 94.4 | Very high | 92.2 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -79.7 | -18.9 | -176.6 | -64.9 | 167.8 | 0 | 0 | 0 | 114.1 | T958 L961 K962 L965 P1026 M1027 I1028 R1032 D1033 I1034 | T958-L1030 HydrophobicContact CG2-CD2 4.25Å; T958-L1030 HydrophobicContact CG2-CG 4.31Å; L961-L1030 HydrophobicContact CB-CD1 3.51Å; L961-L1030 HydrophobicContact CD1-CD1 3.8Å; L961-L1030 HydrophobicContact CG-CD1 4.33Å; K962-L1030 HydrophobicContact CB-CD2 3.96Å; L965-L1030 HydrophobicContact CD1-CB 4.34Å; L965-L1030 HydrophobicContact CD1-CD2 3.82Å; P1026-L1030 WeakPolarHBondContact O-CB 3.42Å; P1026-L1030 WeakPolarHBondContact O-CD1 3.5Å; P1026-L1030 WeakPolarHBondContact O-CG 3.49Å; P1026-L1030 PolarHBondContact O-N 3.33Å; M1027-L1030 PolarHBondContact O-N 3.44Å; I1028-L1030 VanDerWaalsContact C-N 3.35Å; I1028-L1030 PolarHBondContact O-N 3.08Å; L1030-R1032 VanDerWaalsContact C-N 3.3Å; L1030-R1032 PolarHBondContact O-N 2.82Å; L1030-D1033 PolarHBondContact O-N 3.09Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.21Å; L1030-I1034 PolarHBondContact O-N 3.4Å |
| 1031 | T | 93.6 | Very high | 91.7 | Very high | 86 Ų | 86 | 60.2 Ų | 60.2 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.4 | -44 | -177.8 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | M1027 I1028 D1033 I1034 A1035 | M1027-T1031 PolarHBondContact O-N 3Å; M1027-T1031 PolarHBondContact O-OG1 3.34Å; I1028-T1031 PolarHBondContact O-N 3.13Å; T1031-D1033 VanDerWaalsContact C-N 3.32Å; T1031-D1033 PolarHBondContact O-N 2.99Å; T1031-I1034 PolarHBondContact O-N 3.08Å; T1031-A1035 WeakPolarHBondContact O-CB 3.37Å; T1031-A1035 PolarHBondContact O-N 3.23Å |
| 1032 | R | 93.5 | Very high | 91.2 | Very high | 88 Ų | 88 | 65.9 Ų | 65.9 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.6 | 177.5 | -89.3 | -178.5 | -178.4 | 2.8 | 111.9 | N914 Y917 L1030 A1035 W1036 | N914-R1032 PolarHBondContact OD1-NH1 3.27Å; Y917-R1032 HydrophobicContact CE1-CB 3.83Å; Y917-R1032 HydrophobicContact CE1-CG 4.07Å; L1030-R1032 VanDerWaalsContact C-N 3.3Å; L1030-R1032 PolarHBondContact O-N 2.82Å; R1032-A1035 PolarHBondContact O-N 3.22Å; R1032-W1036 WeakPolarHBondContact O-CB 3.28Å; R1032-W1036 PolarHBondContact O-N 2.94Å |
| 1033 | D | 93.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.011 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70 | -37.8 | -177.6 | -82.4 | -13.8 | 0 | 0 | 0 | 112.4 | N914 H918 K962 L965 L1030 T1031 K1037 | N914-D1033 PolarHBondContact ND2-OD1 3.02Å; N914-D1033 VanDerWaalsContact ND2-OD1 3.08Å; N914-D1033 PolarHBondContact ND2-OD2 3.41Å; N914-D1033 PolarHBondContact OD1-OD1 3.1Å; H918-D1033 IonicContact CE1-OD2 3.75Å; H918-D1033 PolarHBondContact CE1-OD2 3.03Å; H918-D1033 IonicContact NE2-OD2 2.71Å; H918-D1033 PolarHBondContact NE2-OD2 3.08Å; K962-D1033 VanDerWaalsContact CD-OD2 3.26Å; K962-D1033 WeakPolarHBondContact CD-OD2 3.36Å; K962-D1033 WeakPolarHBondContact CE-OD2 3.41Å; K962-D1033 VanDerWaalsContact NZ-CG 3.28Å; K962-D1033 IonicContact NZ-OD1 3.26Å; K962-D1033 IonicContact NZ-OD2 3.76Å; K962-D1033 PolarHBondContact NZ-OD2 3.44Å; L965-D1033 HydrophobicContact CD1-CB 4.39Å; L1030-D1033 PolarHBondContact O-N 3.09Å; T1031-D1033 VanDerWaalsContact C-N 3.32Å; T1031-D1033 PolarHBondContact O-N 2.99Å; D1033-K1037 WeakPolarHBondContact O-CB 3.43Å; D1033-K1037 WeakPolarHBondContact O-CG 3.38Å; D1033-K1037 PolarHBondContact O-N 3.24Å |
| 1034 | I | 93.5 | Very high | 89.9 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 172.9 | -65.4 | 167.8 | 0 | 0 | 0 | 109.7 | L965 L1030 T1031 W1036 K1037 M1038 | L965-I1034 HydrophobicContact CD1-CG1 3.9Å; L965-I1034 HydrophobicContact CD2-CD1 4.46Å; L965-I1034 HydrophobicContact CD2-CG1 3.99Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.21Å; L1030-I1034 PolarHBondContact O-N 3.4Å; T1031-I1034 PolarHBondContact O-N 3.08Å; I1034-W1036 PolarHBondContact O-N 3.08Å; I1034-K1037 PolarHBondContact O-N 2.82Å; I1034-M1038 HydrophobicContact CG2-CE 3.7Å; I1034-M1038 HydrophobicContact CG2-SD 4.01Å; I1034-M1038 WeakPolarHBondContact O-CG 3.02Å; I1034-M1038 PolarHBondContact O-N 3.37Å |
| 1035 | A | 93.2 | Very high | 88.9 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1031 R1032 M1038 A1039 | T1031-A1035 WeakPolarHBondContact O-CB 3.37Å; T1031-A1035 PolarHBondContact O-N 3.23Å; R1032-A1035 PolarHBondContact O-N 3.22Å; A1035-M1038 PolarHBondContact O-N 2.83Å; A1035-A1039 WeakPolarHBondContact O-CB 3.35Å; A1035-A1039 PolarHBondContact O-N 3.35Å |
| 1036 | W | 90.6 | Very high | 88.1 | Confident | 140 Ų | 140 | 65.7 Ų | 65.7 | 53% | 0.53 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 177 | 173.9 | -106.5 | 0 | 0 | 0 | 112.3 | R1032 I1034 A1039 K1040 | R1032-W1036 WeakPolarHBondContact O-CB 3.28Å; R1032-W1036 PolarHBondContact O-N 2.94Å; I1034-W1036 PolarHBondContact O-N 3.08Å; W1036-A1039 PolarHBondContact O-N 2.9Å; W1036-K1040 WeakPolarHBondContact O-CB 3.44Å; W1036-K1040 PolarHBondContact O-N 3.24Å |
| 1037 | K | 87.9 | Confident | 87.5 | Confident | 40 Ų | 40 | 68 Ų | 68 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 178.2 | -79.4 | -172.7 | 173.1 | -144.7 | 0 | 112.5 | L965 E966 D1033 I1034 R1041 | L965-K1037 PolarHBondContact O-NZ 3.5Å; E966-K1037 VanDerWaalsContact CD-CE 3.46Å; E966-K1037 WeakPolarHBondContact OE1-CE 3.19Å; E966-K1037 IonicContact OE1-NZ 2.63Å; E966-K1037 PolarHBondContact OE1-NZ 3.43Å; E966-K1037 WeakPolarHBondContact OE2-CE 3.44Å; E966-K1037 IonicContact OE2-NZ 3.01Å; E966-K1037 PolarHBondContact OE2-NZ 3.18Å; D1033-K1037 WeakPolarHBondContact O-CB 3.43Å; D1033-K1037 WeakPolarHBondContact O-CG 3.38Å; D1033-K1037 PolarHBondContact O-N 3.24Å; I1034-K1037 PolarHBondContact O-N 2.82Å; K1037-R1041 WeakPolarHBondContact O-CB 3.32Å; K1037-R1041 VanDerWaalsContact O-CG 3.3Å; K1037-R1041 WeakPolarHBondContact O-CG 3.32Å; K1037-R1041 PolarHBondContact O-N 3.48Å |
| 1038 | M | 88.3 | Confident | 86.9 | Confident | 124 Ų | 124 | 63.9 Ų | 63.9 | 61% | 0.611 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.2 | -49.2 | 174.9 | -72.7 | 179.1 | 174.2 | 0 | 0 | 110.7 | I1034 A1035 K1040 R1041 V1042 | I1034-M1038 HydrophobicContact CG2-CE 3.7Å; I1034-M1038 HydrophobicContact CG2-SD 4.01Å; I1034-M1038 WeakPolarHBondContact O-CG 3.02Å; I1034-M1038 PolarHBondContact O-N 3.37Å; A1035-M1038 PolarHBondContact O-N 2.83Å; M1038-K1040 PolarHBondContact O-N 2.96Å; M1038-R1041 PolarHBondContact O-N 3.33Å; M1038-V1042 WeakPolarHBondContact O-CG2 3.44Å; M1038-V1042 PolarHBondContact O-N 3.3Å |
| 1039 | A | 89.2 | Confident | 86.4 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1035 W1036 R1041 V1042 T1043 | A1035-A1039 WeakPolarHBondContact O-CB 3.35Å; A1035-A1039 PolarHBondContact O-N 3.35Å; W1036-A1039 PolarHBondContact O-N 2.9Å; A1039-R1041 PolarHBondContact O-N 3.38Å; A1039-V1042 PolarHBondContact O-N 2.74Å; A1039-T1043 PolarHBondContact O-N 3.26Å; A1039-T1043 PolarHBondContact O-OG1 3.48Å |
| 1040 | K | 85.7 | Confident | 85.9 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 178.9 | -175.1 | -170.8 | 173.3 | -151.7 | 0 | 111.9 | W1036 M1038 V1042 A1044 G1045 E1049 | W1036-K1040 WeakPolarHBondContact O-CB 3.44Å; W1036-K1040 PolarHBondContact O-N 3.24Å; M1038-K1040 PolarHBondContact O-N 2.96Å; K1040-V1042 PolarHBondContact O-N 2.93Å; K1040-A1044 CarbonylContact O-C 3.53Å; K1040-A1044 WeakPolarHBondContact O-CA 3.35Å; K1040-A1044 PolarHBondContact O-N 2.95Å; K1040-G1045 PolarHBondContact O-N 3.34Å; K1040-G1045 VanDerWaalsContact O-N 3.16Å; K1040-E1049 IonicContact NZ-OE1 2.79Å; K1040-E1049 PolarHBondContact NZ-OE1 3.46Å |
| 1041 | R | 80.9 | Confident | 85.4 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -29.9 | -179.8 | -78.5 | -179.9 | -176.9 | -169.3 | 3.4 | 112.9 | K1037 M1038 A1039 | K1037-R1041 WeakPolarHBondContact O-CB 3.32Å; K1037-R1041 VanDerWaalsContact O-CG 3.3Å; K1037-R1041 WeakPolarHBondContact O-CG 3.32Å; K1037-R1041 PolarHBondContact O-N 3.48Å; M1038-R1041 PolarHBondContact O-N 3.33Å; A1039-R1041 PolarHBondContact O-N 3.38Å |
| 1042 | V | 83.5 | Confident | 85 | Confident | 126 Ų | 126 | 61.4 Ų | 61.4 | 76% | 0.764 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -85.1 | -44.5 | -179.3 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | M1038 A1039 K1040 | M1038-V1042 WeakPolarHBondContact O-CG2 3.44Å; M1038-V1042 PolarHBondContact O-N 3.3Å; A1039-V1042 PolarHBondContact O-N 2.74Å; K1040-V1042 PolarHBondContact O-N 2.93Å |
| 1043 | T | 81.4 | Confident | 84.5 | Confident | 116 Ų | 116 | 60.2 Ų | 60.2 | 71% | 0.712 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -94.1 | -30.3 | -170.3 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | A1039 | A1039-T1043 PolarHBondContact O-N 3.26Å; A1039-T1043 PolarHBondContact O-OG1 3.48Å |
| 1044 | A | 75.8 | Confident | 84 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -145.6 | 41 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1040 S1046 | K1040-A1044 CarbonylContact O-C 3.53Å; K1040-A1044 WeakPolarHBondContact O-CA 3.35Å; K1040-A1044 PolarHBondContact O-N 2.95Å; A1044-S1046 PolarHBondContact O-N 2.9Å |
| 1045 | G | 71.1 | Confident | 83.6 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | trans | -61.4 | 126.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1040 E1049 Q1050 | K1040-G1045 PolarHBondContact O-N 3.34Å; K1040-G1045 VanDerWaalsContact O-N 3.16Å; G1045-E1049 WeakPolarHBondContact CA-OE2 3.39Å; G1045-Q1050 PolarHBondContact O-NE2 3.25Å | ||
| 1046 | S | 78.3 | Confident | 83.1 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | trans | -63.9 | 158.5 | 176.1 | 72.6 | 0 | 0 | 0 | 0 | 110.8 | A1044 R1048 E1049 Q1050 | A1044-S1046 PolarHBondContact O-N 2.9Å; S1046-R1048 PolarHBondContact O-N 2.97Å; S1046-R1048 VanDerWaalsContact O-N 3.13Å; S1046-E1049 PolarHBondContact N-OE2 3.46Å; S1046-E1049 WeakPolarHBondContact O-CA 3.35Å; S1046-E1049 PolarHBondContact O-N 3.19Å; S1046-E1049 WeakPolarHBondContact OG-CG 3.4Å; S1046-E1049 PolarHBondContact OG-N 3.44Å; S1046-Q1050 WeakPolarHBondContact O-CG 3.48Å; S1046-Q1050 PolarHBondContact O-N 3.48Å | ||
| 1047 | L | 81.2 | Confident | 82.8 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -51.4 | -40.8 | 177.3 | 179.9 | 64.2 | 0 | 0 | 0 | 111.4 | L893 Q1050 V1051 L1064 I1065 | L893-L1047 HydrophobicContact CD2-CD2 4.29Å; L893-L1047 HydrophobicContact CD2-CG 4.06Å; L1047-Q1050 PolarHBondContact O-N 3.46Å; L1047-V1051 WeakPolarHBondContact O-CG2 3.39Å; L1047-V1051 PolarHBondContact O-N 3.03Å; L1047-L1064 HydrophobicContact CD1-CD2 3.32Å; L1047-I1065 HydrophobicContact CD1-CG1 4.36Å |
| 1048 | R | 82 | Confident | 82.6 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 175 | 177 | 175.7 | -79.6 | 153.1 | -9.3 | 112.9 | N820 L893 D896 S1046 Q1050 V1051 M1052 | N820-R1048 PolarHBondContact ND2-NH1 3.48Å; N820-R1048 PolarHBondContact ND2-NH2 3.47Å; N820-R1048 PolarHBondContact OD1-NH1 3.2Å; N820-R1048 VanDerWaalsContact OD1-NH1 3.14Å; L893-R1048 HydrophobicContact CD2-CB 4.46Å; L893-R1048 PolarHBondContact O-NH2 3Å; D896-R1048 IonicContact OD2-CZ 3.25Å; D896-R1048 IonicContact OD2-NE 2.64Å; D896-R1048 IonicContact OD2-NH1 2.72Å; D896-R1048 PolarHBondContact OD2-NH1 2.89Å; S1046-R1048 PolarHBondContact O-N 2.97Å; S1046-R1048 VanDerWaalsContact O-N 3.13Å; R1048-Q1050 VanDerWaalsContact C-N 3.31Å; R1048-Q1050 PolarHBondContact O-N 2.65Å; R1048-V1051 PolarHBondContact O-N 3.48Å; R1048-M1052 WeakPolarHBondContact O-CB 3.41Å; R1048-M1052 PolarHBondContact O-N 3.08Å |
| 1049 | E | 82.5 | Confident | 82.3 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 17% | 0.173 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 177.4 | -72.8 | 171.2 | -179 | 0 | 0 | 111.4 | K1040 G1045 S1046 M1052 Q1053 | K1040-E1049 IonicContact NZ-OE1 2.79Å; K1040-E1049 PolarHBondContact NZ-OE1 3.46Å; G1045-E1049 WeakPolarHBondContact CA-OE2 3.39Å; S1046-E1049 PolarHBondContact N-OE2 3.46Å; S1046-E1049 WeakPolarHBondContact O-CA 3.35Å; S1046-E1049 PolarHBondContact O-N 3.19Å; S1046-E1049 WeakPolarHBondContact OG-CG 3.4Å; S1046-E1049 PolarHBondContact OG-N 3.44Å; E1049-M1052 PolarHBondContact O-N 3.26Å; E1049-Q1053 WeakPolarHBondContact O-CG 3.44Å; E1049-Q1053 PolarHBondContact O-N 3.17Å |
| 1050 | Q | 83.2 | Confident | 81.8 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.6 | -65.8 | 173.5 | 12.2 | 0 | 0 | 111.7 | G1045 S1046 L1047 R1048 M1052 Q1053 M1054 L1064 | G1045-Q1050 PolarHBondContact O-NE2 3.25Å; S1046-Q1050 WeakPolarHBondContact O-CG 3.48Å; S1046-Q1050 PolarHBondContact O-N 3.48Å; L1047-Q1050 PolarHBondContact O-N 3.46Å; R1048-Q1050 VanDerWaalsContact C-N 3.31Å; R1048-Q1050 PolarHBondContact O-N 2.65Å; Q1050-M1052 VanDerWaalsContact C-N 3.35Å; Q1050-Q1053 PolarHBondContact O-N 2.86Å; Q1050-M1054 WeakPolarHBondContact O-CG 3.42Å; Q1050-M1054 PolarHBondContact O-N 3.19Å; Q1050-L1064 HydrophobicContact CB-CD1 4.17Å; Q1050-L1064 HydrophobicContact CB-CD2 4.44Å; Q1050-L1064 VanDerWaalsContact OE1-CD1 3.32Å |
| 1051 | V | 85.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.6 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | N886 L893 L1047 R1048 Q1053 M1054 E1055 P1061 I1065 | N886-V1051 HydrophobicContact CB-CG1 4.47Å; L893-V1051 HydrophobicContact CD1-CG1 4.12Å; L893-V1051 HydrophobicContact CD2-CB 4.33Å; L893-V1051 HydrophobicContact CD2-CG2 3.95Å; L1047-V1051 WeakPolarHBondContact O-CG2 3.39Å; L1047-V1051 PolarHBondContact O-N 3.03Å; R1048-V1051 PolarHBondContact O-N 3.48Å; V1051-Q1053 VanDerWaalsContact C-N 3.34Å; V1051-Q1053 PolarHBondContact O-N 3.48Å; V1051-M1054 PolarHBondContact O-N 3.39Å; V1051-E1055 WeakPolarHBondContact O-CB 3.43Å; V1051-E1055 PolarHBondContact O-N 3.43Å; V1051-P1061 HydrophobicContact CB-CB 4.45Å; V1051-P1061 HydrophobicContact CG1-CB 4.29Å; V1051-P1061 HydrophobicContact CG1-CG 4.02Å; V1051-P1061 HydrophobicContact CG2-CB 3.94Å; V1051-P1061 HydrophobicContact CG2-CG 4.42Å; V1051-I1065 HydrophobicContact CG2-CD1 4Å; V1051-I1065 HydrophobicContact CG2-CG1 4.37Å |
| 1052 | M | 84.2 | Confident | 81.3 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.3 | -176.8 | -171.9 | 68.6 | 0 | 0 | 111.9 | T968 R1048 E1049 Q1050 E1055 Q1056 | T968-M1052 HydrophobicContact CG2-SD 3.99Å; R1048-M1052 WeakPolarHBondContact O-CB 3.41Å; R1048-M1052 PolarHBondContact O-N 3.08Å; E1049-M1052 PolarHBondContact O-N 3.26Å; Q1050-M1052 VanDerWaalsContact C-N 3.35Å; M1052-E1055 PolarHBondContact O-N 3.13Å; M1052-Q1056 WeakPolarHBondContact O-CG 3.44Å; M1052-Q1056 PolarHBondContact O-N 3.42Å |
| 1053 | Q | 82.9 | Confident | 80.9 | Confident | 63 Ų | 63 | 67.9 Ų | 67.9 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 175.3 | -74.1 | 173.6 | 8.9 | 0 | 0 | 111.7 | E1049 Q1050 V1051 E1055 Q1056 M1057 | E1049-Q1053 WeakPolarHBondContact O-CG 3.44Å; E1049-Q1053 PolarHBondContact O-N 3.17Å; Q1050-Q1053 PolarHBondContact O-N 2.86Å; V1051-Q1053 VanDerWaalsContact C-N 3.34Å; V1051-Q1053 PolarHBondContact O-N 3.48Å; Q1053-E1055 VanDerWaalsContact C-N 3.31Å; Q1053-E1055 PolarHBondContact O-N 2.92Å; Q1053-Q1056 PolarHBondContact O-N 2.9Å; Q1053-M1057 HydrophobicContact CB-CE 4.35Å; Q1053-M1057 WeakPolarHBondContact O-CE 3.35Å; Q1053-M1057 WeakPolarHBondContact O-CG 3.21Å; Q1053-M1057 PolarHBondContact O-N 3.46Å |
| 1054 | M | 84 | Confident | 80.6 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 22% | 0.222 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.2 | -71.4 | -176.2 | 173.1 | 0 | 0 | 111.8 | Q1050 V1051 M1057 Q1058 V1059 P1061 L1064 | Q1050-M1054 WeakPolarHBondContact O-CG 3.42Å; Q1050-M1054 PolarHBondContact O-N 3.19Å; V1051-M1054 PolarHBondContact O-N 3.39Å; M1054-M1057 HydrophobicContact CG-CE 4.39Å; M1054-M1057 CarbonylContact O-C 3.59Å; M1054-M1057 PolarHBondContact O-N 3.39Å; M1054-Q1058 PolarHBondContact O-N 3.39Å; M1054-V1059 CarbonylContact C-O 3.58Å; M1054-V1059 PolarHBondContact O-N 3.39Å; M1054-P1061 HydrophobicContact CB-CB 4.17Å; M1054-P1061 VanDerWaalsContact SD-CA 3.59Å; M1054-P1061 HydrophobicContact SD-CB 3.72Å; M1054-L1064 HydrophobicContact CE-CB 4.03Å; M1054-L1064 HydrophobicContact CE-CD1 3.39Å; M1054-L1064 HydrophobicContact CE-CG 4.35Å; M1054-L1064 HydrophobicContact SD-CB 4.22Å; M1054-L1064 HydrophobicContact SD-CD1 4.21Å |
| 1055 | E | 84.8 | Confident | 80.5 | Confident | 62 Ų | 62 | 61.2 Ų | 61.2 | 29% | 0.29 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 174.6 | -175.2 | 173.1 | 180 | 0 | 0 | 112.1 | S883 N886 V1051 M1052 Q1053 M1057 Q1058 | S883-E1055 WeakPolarHBondContact CB-OE1 3.46Å; S883-E1055 PolarHBondContact N-OE2 3.39Å; S883-E1055 VanDerWaalsContact OG-CD 3.27Å; S883-E1055 PolarHBondContact OG-OE1 3.45Å; S883-E1055 PolarHBondContact OG-OE2 2.91Å; N886-E1055 PolarHBondContact ND2-OE2 3.05Å; V1051-E1055 WeakPolarHBondContact O-CB 3.43Å; V1051-E1055 PolarHBondContact O-N 3.43Å; M1052-E1055 PolarHBondContact O-N 3.13Å; Q1053-E1055 VanDerWaalsContact C-N 3.31Å; Q1053-E1055 PolarHBondContact O-N 2.92Å; E1055-M1057 VanDerWaalsContact C-N 3.27Å; E1055-M1057 PolarHBondContact O-N 2.88Å; E1055-Q1058 PolarHBondContact O-N 3.43Å |
| 1056 | Q | 82.4 | Confident | 80.4 | Confident | 126 Ų | 126 | 69.3 Ų | 69.3 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.4 | -33.2 | 174.3 | -73.1 | 175.2 | -6.7 | 0 | 0 | 112.6 | M1052 Q1053 Q1058 | M1052-Q1056 WeakPolarHBondContact O-CG 3.44Å; M1052-Q1056 PolarHBondContact O-N 3.42Å; Q1053-Q1056 PolarHBondContact O-N 2.9Å; Q1056-Q1058 VanDerWaalsContact C-N 3.26Å; Q1056-Q1058 PolarHBondContact O-N 2.97Å |
| 1057 | M | 84.7 | Confident | 79.7 | Confident | 124 Ų | 124 | 70.9 Ų | 70.9 | 61% | 0.611 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.2 | 174 | -66.9 | -174.1 | -72.6 | 0 | 0 | 113.5 | Q1053 M1054 E1055 V1059 | Q1053-M1057 HydrophobicContact CB-CE 4.35Å; Q1053-M1057 WeakPolarHBondContact O-CE 3.35Å; Q1053-M1057 WeakPolarHBondContact O-CG 3.21Å; Q1053-M1057 PolarHBondContact O-N 3.46Å; M1054-M1057 HydrophobicContact CG-CE 4.39Å; M1054-M1057 CarbonylContact O-C 3.59Å; M1054-M1057 PolarHBondContact O-N 3.39Å; E1055-M1057 VanDerWaalsContact C-N 3.27Å; E1055-M1057 PolarHBondContact O-N 2.88Å; M1057-V1059 HydrophobicContact CB-CG2 4.04Å; M1057-V1059 PolarHBondContact O-N 3.3Å |
| 1058 | Q | 82.7 | Confident | 78.9 | Confident | 188 Ų | 188 | 71.9 Ų | 71.9 | 88% | 0.879 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 30 | -173.8 | -57.9 | -174.8 | -26 | 0 | 0 | 114.2 | M1054 E1055 Q1056 | M1054-Q1058 PolarHBondContact O-N 3.39Å; E1055-Q1058 PolarHBondContact O-N 3.43Å; Q1056-Q1058 VanDerWaalsContact C-N 3.26Å; Q1056-Q1058 PolarHBondContact O-N 2.97Å |
| 1059 | V | 82.7 | Confident | 77.9 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | trans | -101.4 | 135 | 177.2 | 180 | 0 | 0 | 0 | 0 | 109.9 | M1054 M1057 P1061 | M1054-V1059 CarbonylContact C-O 3.58Å; M1054-V1059 PolarHBondContact O-N 3.39Å; M1057-V1059 HydrophobicContact CB-CG2 4.04Å; M1057-V1059 PolarHBondContact O-N 3.3Å; V1059-P1061 WeakPolarHBondContact O-CD 3.36Å | ||
| 1060 | D | 79.3 | Confident | 75.9 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | trans | -70.3 | 119.7 | 178.9 | -167.3 | 15.8 | 0 | 0 | 0 | 111.3 | K889 Y890 G1062 | K889-D1060 IonicContact NZ-OD1 3.67Å; K889-D1060 PolarHBondContact NZ-OD1 3.19Å; K889-D1060 IonicContact NZ-OD2 3.29Å; K889-D1060 PolarHBondContact NZ-OD2 3.07Å; Y890-D1060 PolarHBondContact OH-OD1 3.41Å; D1060-G1062 PolarHBondContact O-N 3.15Å; D1060-G1062 VanDerWaalsContact O-N 3.1Å | ||
| 1061 | P | 78.1 | Confident | 74 | Confident | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.019 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 1.9 | -173.1 | 29.4 | -36.7 | 0 | 0 | 0 | 114.8 | Y890 V1051 M1054 V1059 R1063 L1064 I1065 | Y890-P1061 HydrophobicContact CD2-CG 3.99Å; Y890-P1061 HydrophobicContact CE2-CG 3.42Å; Y890-P1061 VanDerWaalsContact CE2-CG 3.42Å; V1051-P1061 HydrophobicContact CB-CB 4.45Å; V1051-P1061 HydrophobicContact CG1-CB 4.29Å; V1051-P1061 HydrophobicContact CG1-CG 4.02Å; V1051-P1061 HydrophobicContact CG2-CB 3.94Å; V1051-P1061 HydrophobicContact CG2-CG 4.42Å; M1054-P1061 HydrophobicContact CB-CB 4.17Å; M1054-P1061 VanDerWaalsContact SD-CA 3.59Å; M1054-P1061 HydrophobicContact SD-CB 3.72Å; V1059-P1061 WeakPolarHBondContact O-CD 3.36Å; P1061-R1063 PolarHBondContact O-N 3.23Å; P1061-R1063 VanDerWaalsContact O-N 3.08Å; P1061-L1064 PolarHBondContact O-N 3.03Å; P1061-I1065 HydrophobicContact CB-CD1 4.38Å; P1061-I1065 PolarHBondContact O-N 2.94Å |
| 1062 | G | 77 | Confident | 71.7 | Confident | 4 Ų | 4 | 94.2 Ų | 94.2 | 4% | 0.041 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.8 | -18.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y890 D1060 R1066 | Y890-G1062 WeakPolarHBondContact OH-CA 3.48Å; Y890-G1062 PolarHBondContact OH-N 2.86Å; D1060-G1062 PolarHBondContact O-N 3.15Å; D1060-G1062 VanDerWaalsContact O-N 3.1Å; G1062-R1066 WeakPolarHBondContact O-CB 3.47Å; G1062-R1066 WeakPolarHBondContact O-CG 3.19Å; G1062-R1066 PolarHBondContact O-N 2.84Å; G1062-R1066 PolarHBondContact O-NE 3.37Å; G1062-R1066 VanDerWaalsContact O-NE 3.13Å |
| 1063 | R | 74.9 | Confident | 69.5 | Low | 219 Ų | 219 | 96 Ų | 96 | 83% | 0.826 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73.2 | -41.4 | 172.5 | -71.9 | -174.3 | -178.5 | -179 | 1.5 | 111.9 | P1061 R1066 A1067 | P1061-R1063 PolarHBondContact O-N 3.23Å; P1061-R1063 VanDerWaalsContact O-N 3.08Å; R1063-R1066 PolarHBondContact O-N 3.27Å; R1063-A1067 PolarHBondContact O-N 3.24Å; R1063-A1067 VanDerWaalsContact O-N 3.1Å |
| 1064 | L | 76.5 | Confident | 67.3 | Low | 39 Ų | 39 | 99.4 Ų | 99.4 | 20% | 0.204 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.9 | -42.6 | -177.1 | -173.3 | 142.1 | 0 | 0 | 0 | 111 | L1047 Q1050 M1054 P1061 A1067 S1068 | L1047-L1064 HydrophobicContact CD1-CD2 3.32Å; Q1050-L1064 HydrophobicContact CB-CD1 4.17Å; Q1050-L1064 HydrophobicContact CB-CD2 4.44Å; Q1050-L1064 VanDerWaalsContact OE1-CD1 3.32Å; M1054-L1064 HydrophobicContact CE-CB 4.03Å; M1054-L1064 HydrophobicContact CE-CD1 3.39Å; M1054-L1064 HydrophobicContact CE-CG 4.35Å; M1054-L1064 HydrophobicContact SD-CB 4.22Å; M1054-L1064 HydrophobicContact SD-CD1 4.21Å; P1061-L1064 PolarHBondContact O-N 3.03Å; L1064-A1067 WeakPolarHBondContact O-CB 3.38Å; L1064-A1067 PolarHBondContact O-N 2.83Å; L1064-S1068 PolarHBondContact O-N 3.1Å |
| 1065 | I | 72 | Confident | 65.5 | Low | 3 Ų | 3 | 103.3 Ų | 103.3 | 2% | 0.015 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | 179.7 | -65.2 | 164.3 | 0 | 0 | 0 | 111 | Y890 E892 L1047 V1051 P1061 A1067 S1068 I1069 | Y890-I1065 HydrophobicContact CD1-CB 4.39Å; Y890-I1065 HydrophobicContact CD1-CD1 3.22Å; Y890-I1065 HydrophobicContact CD1-CG1 4.39Å; Y890-I1065 HydrophobicContact CD1-CG2 4.28Å; Y890-I1065 HydrophobicContact CD2-CD1 3.79Å; Y890-I1065 HydrophobicContact CE1-CD1 3.75Å; Y890-I1065 HydrophobicContact CE2-CD1 4.28Å; Y890-I1065 HydrophobicContact CG-CD1 3.22Å; E892-I1065 HydrophobicContact CG-CG2 4.39Å; L1047-I1065 HydrophobicContact CD1-CG1 4.36Å; V1051-I1065 HydrophobicContact CG2-CD1 4Å; V1051-I1065 HydrophobicContact CG2-CG1 4.37Å; P1061-I1065 HydrophobicContact CB-CD1 4.38Å; P1061-I1065 PolarHBondContact O-N 2.94Å; I1065-A1067 VanDerWaalsContact C-N 3.26Å; I1065-A1067 PolarHBondContact O-N 3.28Å; I1065-S1068 WeakPolarHBondContact CA-OG 3.31Å; I1065-S1068 PolarHBondContact O-N 3.5Å; I1065-S1068 PolarHBondContact O-OG 3.29Å; I1065-I1069 HydrophobicContact CG2-CD1 3.74Å; I1065-I1069 HydrophobicContact CG2-CG1 4.45Å; I1065-I1069 WeakPolarHBondContact O-CD1 3.28Å; I1065-I1069 WeakPolarHBondContact O-CG1 3.28Å; I1065-I1069 PolarHBondContact O-N 3.42Å |
| 1066 | R | 69.6 | Low | 63.8 | Low | 182 Ų | 182 | 106.6 Ų | 106.6 | 69% | 0.687 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -34.8 | 172.7 | -83.6 | -174.4 | -89.7 | -172.1 | -11.3 | 112.7 | G1062 R1063 | G1062-R1066 WeakPolarHBondContact O-CB 3.47Å; G1062-R1066 WeakPolarHBondContact O-CG 3.19Å; G1062-R1066 PolarHBondContact O-N 2.84Å; G1062-R1066 PolarHBondContact O-NE 3.37Å; G1062-R1066 VanDerWaalsContact O-NE 3.13Å; R1063-R1066 PolarHBondContact O-N 3.27Å |
| 1067 | A | 63.6 | Low | 62 | Low | 67 Ų | 67 | 104 Ų | 104 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -39.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1063 L1064 I1065 I1069 | R1063-A1067 PolarHBondContact O-N 3.24Å; R1063-A1067 VanDerWaalsContact O-N 3.1Å; L1064-A1067 WeakPolarHBondContact O-CB 3.38Å; L1064-A1067 PolarHBondContact O-N 2.83Å; I1065-A1067 VanDerWaalsContact C-N 3.26Å; I1065-A1067 PolarHBondContact O-N 3.28Å; A1067-I1069 VanDerWaalsContact C-N 3.28Å; A1067-I1069 PolarHBondContact O-N 3Å |
| 1068 | S | 65 | Low | 60.3 | Low | 73 Ų | 73 | 100.1 Ų | 100.1 | 51% | 0.51 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.4 | -24.1 | 177.3 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | L1064 I1065 | L1064-S1068 PolarHBondContact O-N 3.1Å; I1065-S1068 WeakPolarHBondContact CA-OG 3.31Å; I1065-S1068 PolarHBondContact O-N 3.5Å; I1065-S1068 PolarHBondContact O-OG 3.29Å |
| 1069 | I | 60 | Low | 58.6 | Low | 83 Ų | 83 | 93.5 Ų | 93.5 | 43% | 0.426 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -79.7 | -23.5 | -178.3 | -69.1 | 163.7 | 0 | 0 | 0 | 112.7 | E892 I1065 A1067 P1071 | E892-I1069 HydrophobicContact CG-CD1 4.01Å; E892-I1069 HydrophobicContact CG-CG1 4.4Å; I1065-I1069 HydrophobicContact CG2-CD1 3.74Å; I1065-I1069 HydrophobicContact CG2-CG1 4.45Å; I1065-I1069 WeakPolarHBondContact O-CD1 3.28Å; I1065-I1069 WeakPolarHBondContact O-CG1 3.28Å; I1065-I1069 PolarHBondContact O-N 3.42Å; A1067-I1069 VanDerWaalsContact C-N 3.28Å; A1067-I1069 PolarHBondContact O-N 3Å; I1069-P1071 WeakPolarHBondContact O-CD 3.48Å |
| 1070 | R | 41.4 | Very low | 57.1 | Low | 217 Ų | 217 | 91.9 Ų | 91.9 | 82% | 0.819 | 46% | 0.464 | S | S | * | . | trans | -53.8 | 108.2 | -172.8 | -82.9 | -169.6 | 178.2 | -175.6 | 0.1 | 111.5 | ||||
| 1071 | P | 42.7 | Very low | 55.7 | Low | 74 Ų | 74 | 95 Ų | 95 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | trans | -74.8 | 145.6 | 175.5 | 27 | -23.6 | 0 | 0 | 0 | 109.2 | I1069 S1073 | I1069-P1071 WeakPolarHBondContact O-CD 3.48Å; P1071-S1073 PolarHBondContact O-N 2.75Å | ||
| 1072 | K | 36.5 | Very low | 54.4 | Low | 220 Ų | 220 | 99.9 Ų | 99.9 | 96% | 0.957 | 49% | 0.493 | S | S | * | . | trans | -66.6 | 41.4 | 167.7 | -76.3 | -178.1 | 171.1 | 179.4 | 0 | 112.4 | T1074 | K1072-T1074 PolarHBondContact O-N 3.33Š| ||
| 1073 | S | 38.7 | Very low | 53 | Low | 54 Ų | 54 | 101.1 Ų | 101.1 | 38% | 0.378 | 50% | 0.498 | S | S | . | . | trans | -99.6 | 85.8 | -168 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | P1071 | P1071-S1073 PolarHBondContact O-N 2.75Š| ||
| 1074 | T | 37.3 | Very low | 51.7 | Low | 134 Ų | 134 | 97.2 Ų | 97.2 | 82% | 0.822 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -105.7 | -5 | 160.6 | -26.4 | 0 | 0 | 0 | 0 | 112.3 | K1072 | K1072-T1074 PolarHBondContact O-N 3.33Š|
| 1075 | D | 46.7 | Very low | 50.1 | Low | 127 Ų | 127 | 104.5 Ų | 104.5 | 68% | 0.679 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -105 | -9.4 | 179.2 | -90.7 | -32.3 | 0 | 0 | 0 | 115.6 | S1077 | D1075-S1077 PolarHBondContact O-N 2.9Š|
| 1076 | R | 48 | Very low | 48.7 | Very low | 131 Ų | 131 | 109 Ų | 109 | 49% | 0.494 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.2 | -33.8 | -171.4 | -75.3 | -172.7 | 170.2 | 176.8 | -10.1 | 114 | ||
| 1077 | S | 45.6 | Very low | 47.4 | Very low | 73 Ų | 73 | 105.6 Ų | 105.6 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -80.6 | -20.7 | -178.7 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | D1075 | D1075-S1077 PolarHBondContact O-N 2.9Å |
| 1078 | A | 47.8 | Very low | 46.2 | Very low | 41 Ų | 41 | 105.1 Ų | 105.1 | 34% | 0.339 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.3 | -42.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1081 I1082 | A1078-R1081 CarbonylContact O-C 3.58Å; A1078-R1081 WeakPolarHBondContact O-CA 3.49Å; A1078-R1081 WeakPolarHBondContact O-CB 3.49Å; A1078-R1081 PolarHBondContact O-N 3.11Å; A1078-R1081 VanDerWaalsContact O-N 3.13Å; A1078-I1082 VanDerWaalsContact O-CG1 3.29Å; A1078-I1082 WeakPolarHBondContact O-CG1 3.41Å; A1078-I1082 PolarHBondContact O-N 2.92Å |
| 1079 | F | 47.3 | Very low | 44.8 | Very low | 50 Ų | 50 | 104.9 Ų | 104.9 | 22% | 0.219 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -65.5 | -44.6 | -179.4 | -177.6 | -98.1 | 0 | 0 | 0 | 113.3 | D695 R1081 I1082 M1083 | D695-F1079 WeakPolarHBondContact O-CZ 3.4Å; F1079-R1081 PolarHBondContact O-N 3.38Å; F1079-R1081 VanDerWaalsContact O-N 3.16Å; F1079-I1082 PolarHBondContact O-N 3.38Å; F1079-M1083 HydrophobicContact CE1-CE 3.98Å; F1079-M1083 HydrophobicContact CE1-SD 4.45Å; F1079-M1083 HydrophobicContact CZ-CE 4.01Å; F1079-M1083 PolarHBondContact O-N 2.78Å |
| 1080 | V | 51.5 | Low | 43.7 | Very low | 45 Ų | 45 | 108.6 Ų | 108.6 | 27% | 0.273 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.6 | -32.9 | 174.5 | 177 | 0 | 0 | 0 | 0 | 110.7 | R1084 | V1080-R1084 VanDerWaalsContact O-CB 3.24Å; V1080-R1084 WeakPolarHBondContact O-CB 3.37Å; V1080-R1084 WeakPolarHBondContact O-CD 3.21Å; V1080-R1084 WeakPolarHBondContact O-CG 3.29Å; V1080-R1084 PolarHBondContact O-N 3.36Å |
| 1081 | R | 49.4 | Very low | 43.5 | Very low | 156 Ų | 156 | 102.7 Ų | 102.7 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -77.2 | -33.1 | 176.5 | -145 | -177.4 | -66.9 | 165 | -3.7 | 112.8 | A1078 F1079 R1085 | A1078-R1081 CarbonylContact O-C 3.58Å; A1078-R1081 WeakPolarHBondContact O-CA 3.49Å; A1078-R1081 WeakPolarHBondContact O-CB 3.49Å; A1078-R1081 PolarHBondContact O-N 3.11Å; A1078-R1081 VanDerWaalsContact O-N 3.13Å; F1079-R1081 PolarHBondContact O-N 3.38Å; F1079-R1081 VanDerWaalsContact O-N 3.16Å; R1081-R1085 WeakPolarHBondContact O-CB 3.46Å; R1081-R1085 VanDerWaalsContact O-CG 3.31Å; R1081-R1085 WeakPolarHBondContact O-CG 3.13Å; R1081-R1085 PolarHBondContact O-N 3.43Å |
| 1082 | I | 51.6 | Low | 43.1 | Very low | 105 Ų | 105 | 105.7 Ų | 105.7 | 54% | 0.538 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.2 | -46.3 | 176.6 | -70.1 | 163 | 0 | 0 | 0 | 110.5 | A1078 F1079 R1085 S1086 | A1078-I1082 VanDerWaalsContact O-CG1 3.29Å; A1078-I1082 WeakPolarHBondContact O-CG1 3.41Å; A1078-I1082 PolarHBondContact O-N 2.92Å; F1079-I1082 PolarHBondContact O-N 3.38Å; I1082-R1085 CarbonylContact O-C 3.51Å; I1082-R1085 WeakPolarHBondContact O-CA 3.49Å; I1082-R1085 PolarHBondContact O-N 3.36Å; I1082-S1086 WeakPolarHBondContact O-CB 3.13Å; I1082-S1086 PolarHBondContact O-N 3.02Å |
| 1083 | M | 46.8 | Very low | 43.1 | Very low | 30 Ų | 30 | 103 Ų | 103 | 15% | 0.148 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -64.1 | -43.2 | 177.6 | -157.3 | -161.7 | -121.8 | 0 | 0 | 111 | D695 F706 F1079 R1085 S1086 M1087 | D695-M1083 HydrophobicContact CB-CE 3.59Å; F706-M1083 HydrophobicContact CE1-SD 4.29Å; F706-M1083 HydrophobicContact CZ-SD 4.22Å; F1079-M1083 HydrophobicContact CE1-CE 3.98Å; F1079-M1083 HydrophobicContact CE1-SD 4.45Å; F1079-M1083 HydrophobicContact CZ-CE 4.01Å; F1079-M1083 PolarHBondContact O-N 2.78Å; M1083-R1085 PolarHBondContact O-N 3.18Å; M1083-S1086 PolarHBondContact O-N 3.22Å; M1083-M1087 PolarHBondContact O-N 3.4Å; M1083-M1087 VanDerWaalsContact O-N 3.16Å |
| 1084 | R | 47.1 | Very low | 43.1 | Very low | 138 Ų | 138 | 108.4 Ų | 108.4 | 52% | 0.521 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.3 | -24.5 | 170.6 | -78.9 | 177.9 | -173.7 | -176.3 | 3 | 113.9 | V1080 | V1080-R1084 VanDerWaalsContact O-CB 3.24Å; V1080-R1084 WeakPolarHBondContact O-CB 3.37Å; V1080-R1084 WeakPolarHBondContact O-CD 3.21Å; V1080-R1084 WeakPolarHBondContact O-CG 3.29Å; V1080-R1084 PolarHBondContact O-N 3.36Å |
| 1085 | R | 42.9 | Very low | 43 | Very low | 191 Ų | 191 | 109.3 Ų | 109.3 | 72% | 0.721 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -91.7 | -31.7 | 177.3 | -81.3 | 179.4 | 168.9 | -172.5 | -4.3 | 112.9 | R1081 I1082 M1083 | R1081-R1085 WeakPolarHBondContact O-CB 3.46Å; R1081-R1085 VanDerWaalsContact O-CG 3.31Å; R1081-R1085 WeakPolarHBondContact O-CG 3.13Å; R1081-R1085 PolarHBondContact O-N 3.43Å; I1082-R1085 CarbonylContact O-C 3.51Å; I1082-R1085 WeakPolarHBondContact O-CA 3.49Å; I1082-R1085 PolarHBondContact O-N 3.36Å; M1083-R1085 PolarHBondContact O-N 3.18Å |
| 1086 | S | 43.4 | Very low | 42.3 | Very low | 97 Ų | 97 | 108.6 Ų | 108.6 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.2 | -37.2 | 178.6 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | I1082 M1083 | I1082-S1086 WeakPolarHBondContact O-CB 3.13Å; I1082-S1086 PolarHBondContact O-N 3.02Å; M1083-S1086 PolarHBondContact O-N 3.22Å |
| 1087 | M | 41.9 | Very low | 41.7 | Very low | 112 Ų | 112 | 110.9 Ų | 110.9 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -19.7 | 177.7 | -77.9 | 174.8 | 43.6 | 0 | 0 | 114.4 | M1083 | M1083-M1087 PolarHBondContact O-N 3.4Å; M1083-M1087 VanDerWaalsContact O-N 3.16Å |
| 1088 | G | 38 | Very low | 40.9 | Very low | 57 Ų | 57 | 111.3 Ų | 111.3 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 9.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1089 | S | 35.8 | Very low | 40.3 | Very low | 67 Ų | 67 | 114.1 Ų | 114.1 | 47% | 0.469 | 64% | 0.641 | S | S | . | * | trans | -139.8 | 66.6 | -171.7 | -169.7 | 0 | 0 | 0 | 0 | 113.8 | A1091 | S1089-A1091 PolarHBondContact O-N 2.92Š| ||
| 1090 | Q | 37.4 | Very low | 39.4 | Very low | 162 Ų | 162 | 117.4 Ų | 117.4 | 76% | 0.757 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 13.4 | 165.6 | -81 | -169 | -19 | 0 | 0 | 114.1 | ||
| 1091 | A | 36.8 | Very low | 38.6 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 3.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1089 | S1089-A1091 PolarHBondContact O-N 2.92Š|
| 1092 | L | 34.6 | Very low | 37.7 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -127.6 | 7.6 | -170.3 | -119.9 | 150.4 | 0 | 0 | 0 | 115.9 | ||
| 1093 | L | 37.4 | Very low | 36.5 | Very low | 164 Ų | 164 | 126 Ų | 126 | 86% | 0.859 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -103.8 | 10 | -179.2 | -127 | 108.1 | 0 | 0 | 0 | 115.2 | ||
| 1094 | N | 38 | Very low | 35.7 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -95.5 | 17.3 | 178.9 | -81.4 | -14.3 | 0 | 0 | 0 | 114.5 | ||
| 1095 | L | 36.3 | Very low | 34.7 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -117.8 | -4.3 | -170.7 | -120 | 137.7 | 0 | 0 | 0 | 115.8 | ||
| 1096 | C | 31.5 | Very low | 34.1 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -146.3 | 101 | 177.1 | -76.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1097 | L | 34.4 | Very low | 33.3 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | trans | 149.3 | 98.5 | 143.8 | -79.7 | 154.9 | 0 | 0 | 0 | 109.8 | ||||
| 1098 | G | 29.1 | Very low | 32.8 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -78.1 | 124.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1099 | A | 34.8 | Very low | 32.3 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -163 | 121.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1100 | S | 29.6 | Very low | 32 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -63.1 | 122.9 | -179.9 | 130.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1101 | V | 33.6 | Very low | 31.6 | Very low | 146 Ų | 146 | 132 Ų | 132 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -147.3 | 135.1 | 143.5 | -178.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1102 | R | 29.9 | Very low | 31.2 | Very low | 225 Ų | 225 | 133.5 Ų | 133.5 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | trans | -78.5 | 137 | -172.1 | -86.6 | 173.8 | 165.5 | 167.2 | -5.1 | 114.5 | ||||
| 1103 | T | 27.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 54.9 | 111.6 | 134.7 | 63.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1104 | N | 29.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | -174 | 113.6 | 104.6 | -92.6 | -11.8 | 0 | 0 | 0 | 112.8 | |||||
| 1105 | T | 26.4 | Very low | 29.9 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 26.1 | 92.4 | 140.7 | 57.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1106 | A | 29.9 | Very low | 29.8 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -163.1 | 118.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 108 | P1108 | A1106-P1108 WeakPolarHBondContact O-CD 3.46Š| ||
| 1107 | S | 27.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 122.7 | 178.2 | 48 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1108 | P | 29.9 | Very low | 31.5 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 122.3 | 164.9 | 29.5 | -20.2 | 0 | 0 | 0 | 108.9 | A1106 | A1106-P1108 WeakPolarHBondContact O-CD 3.46Š|
| 1109 | T | 28.7 | Very low | 33.1 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 138.2 | 172.1 | 31.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1110 | P | 29.1 | Very low | 34.3 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 138 | -177.5 | 28.7 | -31.8 | 0 | 0 | 0 | 110.9 | T1112 | P1110-T1112 PolarHBondContact O-N 3.46Š|
| 1111 | I | 29 | Very low | 36.4 | Very low | 151 Ų | 151 | 111.9 Ų | 111.9 | 77% | 0.774 | 63% | 0.626 | S | S | * | * | trans | -54.5 | 112 | 171.6 | -64 | 165.5 | 0 | 0 | 0 | 107.5 | D1113 | I1111-D1113 PolarHBondContact O-N 3.41Š| ||
| 1112 | T | 27.5 | Very low | 37.8 | Very low | 123 Ų | 123 | 105.1 Ų | 105.1 | 76% | 0.755 | 59% | 0.586 | S | S | * | * | trans | -74.7 | 111 | -178.7 | 15.2 | 0 | 0 | 0 | 0 | 108.3 | P1110 S1114 | P1110-T1112 PolarHBondContact O-N 3.46Å; T1112-S1114 PolarHBondContact O-N 3.47Å | ||
| 1113 | D | 26.3 | Very low | 39.5 | Very low | 101 Ų | 101 | 94.7 Ų | 94.7 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | trans | -61.6 | 87.2 | 161.1 | -155.3 | 13.3 | 0 | 0 | 0 | 106.5 | I1111 R1115 | I1111-D1113 PolarHBondContact O-N 3.41Å; D1113-R1115 PolarHBondContact O-N 2.82Å | ||
| 1114 | S | 28.5 | Very low | 41.2 | Very low | 92 Ų | 92 | 90.5 Ų | 90.5 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | trans | -75 | 62.9 | -179.8 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | T1112 Q1116 | T1112-S1114 PolarHBondContact O-N 3.47Å; S1114-Q1116 PolarHBondContact O-N 2.87Å | ||
| 1115 | R | 29.4 | Very low | 42.8 | Very low | 195 Ų | 195 | 84.5 Ų | 84.5 | 74% | 0.736 | 49% | 0.489 | S | S | * | . | trans | -77.7 | 56.7 | 140.9 | -71.3 | -173.9 | 179.8 | 171.7 | 3 | 108.9 | D1113 T1117 | D1113-R1115 PolarHBondContact O-N 2.82Å; R1115-T1117 VanDerWaalsContact C-N 3.29Å; R1115-T1117 PolarHBondContact O-N 3.13Å | ||
| 1116 | Q | 34.2 | Very low | 44.3 | Very low | 165 Ų | 165 | 80.4 Ų | 80.4 | 77% | 0.771 | 46% | 0.46 | S | S | * | . | trans | -71.7 | 106.2 | 141.9 | -86.1 | 179.8 | -23 | 0 | 0 | 103.2 | S1114 D1118 | S1114-Q1116 PolarHBondContact O-N 2.87Å; Q1116-D1118 VanDerWaalsContact C-N 3.32Å; Q1116-D1118 PolarHBondContact O-N 2.99Å | ||
| 1117 | T | 46.9 | Very low | 45.5 | Very low | 82 Ų | 82 | 78.7 Ų | 78.7 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | trans | -50.9 | 102.9 | 170 | 34.9 | 0 | 0 | 0 | 0 | 106.9 | R1115 H1119 | R1115-T1117 VanDerWaalsContact C-N 3.29Å; R1115-T1117 PolarHBondContact O-N 3.13Å; T1117-H1119 PolarHBondContact O-CD2 3Å; T1117-H1119 PolarHBondContact O-N 3.29Å; T1117-H1119 PolarHBondContact O-NE2 3.44Å; T1117-H1119 PolarHBondContact OG1-CE1 3.38Å; T1117-H1119 VanDerWaalsContact OG1-CE1 3.24Å; T1117-H1119 PolarHBondContact OG1-NE2 3.47Å | ||
| 1118 | D | 54.4 | Low | 46.8 | Very low | 89 Ų | 89 | 81.8 Ų | 81.8 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | trans | -71.4 | 101.4 | -176.8 | -150.9 | -2.2 | 0 | 0 | 0 | 106.6 | A566 Q1116 G1120 | A566-D1118 WeakPolarHBondContact CB-O 3.44Å; Q1116-D1118 VanDerWaalsContact C-N 3.32Å; Q1116-D1118 PolarHBondContact O-N 2.99Å; D1118-G1120 PolarHBondContact O-N 3.33Å | ||
| 1119 | H | 61.5 | Low | 47.9 | Very low | 18 Ų | 18 | 77.5 Ų | 77.5 | 8% | 0.083 | 42% | 0.415 | C | S | . | . | trans | -80 | 24.8 | -172.1 | -62.2 | -72.8 | 0 | 0 | 0 | 112.8 | D541 M559 L562 E563 A566 T572 T1117 Y1121 | D541-H1119 WeakPolarHBondContact OD2-CB 3.49Å; D541-H1119 IonicContact OD2-CD2 3.95Å; D541-H1119 PolarHBondContact OD2-CD2 3.17Å; D541-H1119 IonicContact OD2-CG 2.68Å; M559-H1119 VanDerWaalsContact SD-CE1 3.59Å; L562-H1119 HydrophobicContact CB-CB 4.29Å; E563-H1119 VanDerWaalsContact CG-ND1 3.25Å; E563-H1119 WeakPolarHBondContact CG-ND1 3.45Å; E563-H1119 IonicContact OE1-CE1 3.17Å; A566-H1119 VanDerWaalsContact CB-C 3.45Å; T572-H1119 PolarHBondContact OG1-O 3.26Å; T1117-H1119 PolarHBondContact O-CD2 3Å; T1117-H1119 PolarHBondContact O-N 3.29Å; T1117-H1119 PolarHBondContact O-NE2 3.44Å; T1117-H1119 PolarHBondContact OG1-CE1 3.38Å; T1117-H1119 VanDerWaalsContact OG1-CE1 3.24Å; T1117-H1119 PolarHBondContact OG1-NE2 3.47Å; H1119-Y1121 VanDerWaalsContact C-N 3.35Å; H1119-Y1121 PolarHBondContact O-N 3.41Å | ||
| 1120 | G | 61.6 | Low | 49.3 | Very low | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | trans | 77.5 | 12 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R571 T572 N660 D1118 A1122 | R571-G1120 WeakPolarHBondContact CA-O 3.47Å; T572-G1120 PolarHBondContact N-O 3.09Å; T572-G1120 VanDerWaalsContact OG1-C 3.23Å; T572-G1120 PolarHBondContact OG1-O 3.22Å; N660-G1120 PolarHBondContact ND2-O 3.04Å; D1118-G1120 PolarHBondContact O-N 3.33Å; G1120-A1122 PolarHBondContact O-N 3.16Å | ||
| 1121 | Y | 72.6 | Confident | 50.9 | Low | 17 Ų | 17 | 69.5 Ų | 69.5 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -62.3 | 123.8 | -178.8 | 170.4 | -102.9 | 0 | 0 | 0 | 111.5 | F515 K520 A540 T572 L573 E656 H1119 F1123 | F515-Y1121 VanDerWaalsContact CE2-OH 3.28Å; F515-Y1121 WeakPolarHBondContact CE2-OH 3.11Å; K520-Y1121 HydrophobicContact CB-CE1 4.08Å; K520-Y1121 HydrophobicContact CD-CE1 4.05Å; K520-Y1121 HydrophobicContact CG-CE1 4.27Å; K520-Y1121 PolarHBondContact O-OH 3.28Å; A540-Y1121 HydrophobicContact CB-CD1 3.62Å; A540-Y1121 HydrophobicContact CB-CD2 3.45Å; A540-Y1121 VanDerWaalsContact CB-CD2 3.45Å; A540-Y1121 HydrophobicContact CB-CE1 3.69Å; A540-Y1121 HydrophobicContact CB-CE2 3.49Å; A540-Y1121 VanDerWaalsContact CB-CE2 3.49Å; A540-Y1121 HydrophobicContact CB-CG 3.48Å; A540-Y1121 VanDerWaalsContact CB-CG 3.48Å; A540-Y1121 VanDerWaalsContact N-CE2 3.28Å; T572-Y1121 WeakPolarHBondContact O-CD2 3.12Å; T572-Y1121 PolarHBondContact OG1-N 3.33Å; L573-Y1121 HydrophobicContact CD2-CD2 3.97Å; L573-Y1121 HydrophobicContact CD2-CE2 3.53Å; E656-Y1121 WeakPolarHBondContact CB-O 3.34Å; H1119-Y1121 VanDerWaalsContact C-N 3.35Å; H1119-Y1121 PolarHBondContact O-N 3.41Å; Y1121-F1123 HydrophobicContact CE2-CB 4.17Å |
| 1122 | A | 63.9 | Low | 52.7 | Low | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | trans | -150.3 | 131.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | R571 G1120 | R571-A1122 HydrophobicContact CB-CB 4.1Å; R571-A1122 HydrophobicContact CG-CB 3.86Å; G1120-A1122 PolarHBondContact O-N 3.16Å | ||
| 1123 | F | 65.4 | Low | 54.6 | Low | 5 Ų | 5 | 59.5 Ų | 59.5 | 2% | 0.022 | 32% | 0.316 | C | S | . | . | trans | -140.3 | 122.1 | 176.1 | -162.5 | -115.3 | 0 | 0 | 0 | 110.6 | D473 E474 F515 L573 K654 Y1121 Q1125 | D473-F1123 HydrophobicContact CB-CD2 3.85Å; D473-F1123 HydrophobicContact CB-CE2 3.69Å; E474-F1123 HydrophobicContact CG-CE2 4.31Å; E474-F1123 HydrophobicContact CG-CZ 3.78Å; F515-F1123 HydrophobicContact CD1-CD1 4.17Å; F515-F1123 HydrophobicContact CD1-CE1 4.46Å; F515-F1123 AromaticContact CD2-CD1 3.6Å; F515-F1123 HydrophobicContact CD2-CD1 3.6Å; F515-F1123 AromaticContact CD2-CE1 3.83Å; F515-F1123 HydrophobicContact CD2-CE1 3.83Å; F515-F1123 HydrophobicContact CE1-CD1 4Å; F515-F1123 HydrophobicContact CE2-CB 4.22Å; F515-F1123 AromaticContact CE2-CD1 3.39Å; F515-F1123 HydrophobicContact CE2-CD1 3.39Å; F515-F1123 HydrophobicContact CE2-CE1 4.11Å; F515-F1123 HydrophobicContact CE2-CG 4.18Å; F515-F1123 AromaticContact CG-CD1 3.99Å; F515-F1123 HydrophobicContact CG-CD1 3.99Å; F515-F1123 HydrophobicContact CG-CE1 4.03Å; F515-F1123 HydrophobicContact CZ-CB 4.14Å; F515-F1123 AromaticContact CZ-CD1 3.62Å; F515-F1123 HydrophobicContact CZ-CD1 3.62Å; F515-F1123 HydrophobicContact CZ-CG 4.36Å; L573-F1123 HydrophobicContact CD1-CD2 3.69Å; L573-F1123 HydrophobicContact CD1-CE2 3.75Å; L573-F1123 HydrophobicContact CD2-CB 4.18Å; L573-F1123 HydrophobicContact CD2-CD2 3.82Å; L573-F1123 HydrophobicContact CD2-CG 4.22Å; L573-F1123 HydrophobicContact CG-CD2 4.31Å; K654-F1123 PolarHBondContact NZ-O 3.34Å; Y1121-F1123 HydrophobicContact CE2-CB 4.17Å; F1123-Q1125 HydrophobicContact CD1-CB 4.28Å; F1123-Q1125 HydrophobicContact CE1-CB 4.21Å | ||
| 1124 | S | 62.4 | Low | 56.8 | Low | 26 Ų | 26 | 56.3 Ų | 56.3 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | trans | -95.4 | 109.5 | -178.7 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | S471 D473 R571 | S471-S1124 WeakPolarHBondContact CB-O 3.07Å; S471-S1124 PolarHBondContact OG-O 2.85Å; D473-S1124 PolarHBondContact OD2-N 2.75Å; R571-S1124 PolarHBondContact NH1-OG 3.09Å | ||
| 1125 | Q | 63.2 | Low | 58.9 | Low | 19 Ų | 19 | 57.4 Ų | 57.4 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | trans | -150.4 | 141.2 | 174.1 | -174.5 | 162.5 | 6.4 | 0 | 0 | 110.7 | F515 F1123 | F515-Q1125 HydrophobicContact CD1-CB 3.81Å; F515-Q1125 HydrophobicContact CD1-CG 4.2Å; F515-Q1125 HydrophobicContact CE1-CB 4.17Å; F515-Q1125 VanDerWaalsContact CG-OE1 3.27Å; F1123-Q1125 HydrophobicContact CD1-CB 4.28Å; F1123-Q1125 HydrophobicContact CE1-CB 4.21Å | ||
| 1126 | E | 58.5 | Low | 60.8 | Low | 53 Ų | 53 | 48.5 Ų | 48.5 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | trans | -78.8 | 126.7 | 174 | -70.3 | -174.3 | 174.3 | 0 | 0 | 111.4 | N150 | N150-E1126 VanDerWaalsContact CB-OE1 3.3Å; N150-E1126 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 1127 | E | 54.8 | Low | 62.7 | Low | 59 Ų | 59 | 40.8 Ų | 40.8 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -100 | -18 | -173.1 | -66.7 | 171.2 | -152.8 | 0 | 0 | 113.5 | S517 K654 | S517-E1127 WeakPolarHBondContact CA-OE1 3.28Å; S517-E1127 VanDerWaalsContact CB-CD 3.45Å; S517-E1127 WeakPolarHBondContact CB-OE1 3.39Å; S517-E1127 WeakPolarHBondContact CB-OE2 3.23Å; S517-E1127 PolarHBondContact N-OE1 3.43Å; S517-E1127 PolarHBondContact N-OE2 3.45Å; S517-E1127 PolarHBondContact OG-OE1 3.29Å; S517-E1127 PolarHBondContact OG-OE2 3.43Å; K654-E1127 IonicContact NZ-OE1 2.71Å |
| 1128 | H | 54.7 | Low | 64.1 | Low | 179 Ų | 179 | 41 Ų | 41 | 83% | 0.829 | 22% | 0.218 | S | C | * | . | trans | -123.4 | 32.9 | -172 | -59.7 | -46.9 | 0 | 0 | 0 | 113.3 | ||||
| 1129 | G | 54.2 | Low | 65.1 | Low | 32 Ų | 32 | 38 Ų | 38 | 33% | 0.33 | 21% | 0.206 | S | C | . | . | trans | -58.7 | 148.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1131 | G1129-V1131 PolarHBondContact O-N 2.97Š| ||
| 1130 | A | 57.3 | Low | 65.9 | Low | 44 Ų | 44 | 37.6 Ų | 37.6 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -55 | -26.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T205 | T205-A1130 HydrophobicContact CG2-CB 3.57Š|
| 1131 | V | 62 | Low | 66.8 | Low | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -122.9 | 133.4 | 176.9 | -176 | 0 | 0 | 0 | 0 | 107.9 | M137 L153 G1129 Q1135 | M137-V1131 HydrophobicContact SD-CG2 4.23Å; L153-V1131 HydrophobicContact CD2-CB 3.62Å; L153-V1131 HydrophobicContact CD2-CG2 3.81Å; G1129-V1131 PolarHBondContact O-N 2.97Å; V1131-Q1135 HydrophobicContact CG1-CB 3.54Å |
| 1132 | S | 67.1 | Low | 67 | Low | 42 Ų | 42 | 40.5 Ų | 40.5 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | trans | -66.1 | 150.2 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 110.5 | S1134 Q1135 L1136 | S1132-S1134 PolarHBondContact O-N 3.03Å; S1132-S1134 PolarHBondContact OG-OG 2.88Å; S1132-Q1135 WeakPolarHBondContact O-CB 3.25Å; S1132-Q1135 PolarHBondContact O-N 3.41Å; S1132-Q1135 WeakPolarHBondContact OG-CB 3.46Å; S1132-Q1135 VanDerWaalsContact OG-CG 3.25Å; S1132-Q1135 WeakPolarHBondContact OG-CG 3.48Å; S1132-Q1135 PolarHBondContact OG-N 2.82Å; S1132-L1136 PolarHBondContact O-N 2.99Å | ||
| 1133 | Q | 68.2 | Low | 67.6 | Low | 23 Ų | 23 | 44.8 Ų | 44.8 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -38 | 178.7 | -65.1 | -68.2 | -39.6 | 0 | 0 | 111.3 | T428 S470 Q1135 L1136 I1137 | T428-Q1133 HydrophobicContact CG2-CB 4.15Å; S470-Q1133 PolarHBondContact OG-OE1 2.8Å; Q1133-Q1135 VanDerWaalsContact C-N 3.32Å; Q1133-Q1135 PolarHBondContact O-N 3.47Å; Q1133-L1136 WeakPolarHBondContact O-CB 3.23Å; Q1133-L1136 PolarHBondContact O-N 3.47Å; Q1133-I1137 WeakPolarHBondContact O-CD1 3.43Å; Q1133-I1137 WeakPolarHBondContact O-CG1 3.07Å; Q1133-I1137 PolarHBondContact O-N 3.23Å |
| 1134 | S | 71.3 | Confident | 68.2 | Low | 33 Ų | 33 | 53.7 Ų | 53.7 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.8 | -43.9 | 170.5 | 46.5 | 0 | 0 | 0 | 0 | 112.9 | D514 S1132 R1138 | D514-S1134 WeakPolarHBondContact OD1-CB 3.31Å; D514-S1134 PolarHBondContact OD1-N 2.85Å; D514-S1134 VanDerWaalsContact OD1-N 3.08Å; D514-S1134 WeakPolarHBondContact OD2-CB 3.47Å; D514-S1134 PolarHBondContact OD2-N 3Å; D514-S1134 PolarHBondContact OD2-OG 3.08Å; S1132-S1134 PolarHBondContact O-N 3.03Å; S1132-S1134 PolarHBondContact OG-OG 2.88Å; S1134-R1138 WeakPolarHBondContact O-CG 3.44Å; S1134-R1138 PolarHBondContact O-N 2.99Å |
| 1135 | Q | 72.7 | Confident | 68.8 | Low | 115 Ų | 115 | 64.1 Ų | 64.1 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | 177.5 | -75.9 | 172.7 | -11.6 | 0 | 0 | 112 | V1131 S1132 Q1133 I1137 R1138 A1139 | V1131-Q1135 HydrophobicContact CG1-CB 3.54Å; S1132-Q1135 WeakPolarHBondContact O-CB 3.25Å; S1132-Q1135 PolarHBondContact O-N 3.41Å; S1132-Q1135 WeakPolarHBondContact OG-CB 3.46Å; S1132-Q1135 VanDerWaalsContact OG-CG 3.25Å; S1132-Q1135 WeakPolarHBondContact OG-CG 3.48Å; S1132-Q1135 PolarHBondContact OG-N 2.82Å; Q1133-Q1135 VanDerWaalsContact C-N 3.32Å; Q1133-Q1135 PolarHBondContact O-N 3.47Å; Q1135-I1137 PolarHBondContact O-N 2.96Å; Q1135-R1138 PolarHBondContact O-N 2.82Å; Q1135-A1139 PolarHBondContact O-N 3.34Å |
| 1136 | L | 70.8 | Confident | 69.4 | Low | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.8 | -51.8 | 176 | -170.1 | 75.7 | 0 | 0 | 0 | 110.6 | M137 Y139 L153 S1132 Q1133 R1138 A1139 Y1140 | M137-L1136 HydrophobicContact CE-CD1 4.19Å; M137-L1136 HydrophobicContact SD-CD1 3.83Å; Y139-L1136 WeakPolarHBondContact OH-CD1 3.35Å; Y139-L1136 WeakPolarHBondContact OH-CD2 3.31Å; L153-L1136 HydrophobicContact CD1-CD1 4.3Å; L153-L1136 HydrophobicContact CD2-CD1 4.08Å; S1132-L1136 PolarHBondContact O-N 2.99Å; Q1133-L1136 WeakPolarHBondContact O-CB 3.23Å; Q1133-L1136 PolarHBondContact O-N 3.47Å; L1136-R1138 PolarHBondContact O-N 2.89Å; L1136-A1139 PolarHBondContact O-N 3Å; L1136-Y1140 HydrophobicContact CD1-CD2 4.19Å; L1136-Y1140 HydrophobicContact CD1-CE2 3.68Å; L1136-Y1140 HydrophobicContact CG-CD2 4.14Å; L1136-Y1140 HydrophobicContact CG-CE2 4.04Å; L1136-Y1140 WeakPolarHBondContact O-CD2 3.37Å; L1136-Y1140 PolarHBondContact O-N 3.28Å |
| 1137 | I | 73.1 | Confident | 70.5 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.4 | -36.1 | -179.6 | -64.3 | 166.6 | 0 | 0 | 0 | 111.6 | T428 V512 Q1133 Q1135 A1139 | T428-I1137 HydrophobicContact CG2-CD1 3.75Å; V512-I1137 HydrophobicContact CG1-CD1 4.23Å; V512-I1137 HydrophobicContact CG2-CD1 4.41Å; Q1133-I1137 WeakPolarHBondContact O-CD1 3.43Å; Q1133-I1137 WeakPolarHBondContact O-CG1 3.07Å; Q1133-I1137 PolarHBondContact O-N 3.23Å; Q1135-I1137 PolarHBondContact O-N 2.96Å; I1137-A1139 VanDerWaalsContact C-N 3.33Å |
| 1138 | R | 77.5 | Confident | 71.7 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.4 | -15.4 | 178.6 | -65.3 | -64.6 | -167 | -175.6 | 3.3 | 113.7 | P493 I509 L510 S1134 Q1135 L1136 | P493-R1138 WeakPolarHBondContact CB-O 3.49Å; P493-R1138 VanDerWaalsContact CG-O 3.29Å; P493-R1138 WeakPolarHBondContact CG-O 3.08Å; P493-R1138 WeakPolarHBondContact O-CD 3.41Å; P493-R1138 PolarHBondContact O-NH1 3.14Å; I509-R1138 PolarHBondContact O-NH1 2.94Å; I509-R1138 PolarHBondContact O-NH2 2.8Å; L510-R1138 PolarHBondContact O-NH2 3.22Å; S1134-R1138 WeakPolarHBondContact O-CG 3.44Å; S1134-R1138 PolarHBondContact O-N 2.99Å; Q1135-R1138 PolarHBondContact O-N 2.82Å; L1136-R1138 PolarHBondContact O-N 2.89Å |
| 1139 | A | 75.1 | Confident | 72.5 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 21% | 0.207 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -92 | -26.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | M137 Q1135 L1136 I1137 | M137-A1139 HydrophobicContact CE-CB 4.16Å; Q1135-A1139 PolarHBondContact O-N 3.34Å; L1136-A1139 PolarHBondContact O-N 3Å; I1137-A1139 VanDerWaalsContact C-N 3.33Å |
| 1140 | Y | 76.6 | Confident | 73.2 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | trans | -81.9 | 131.8 | -176.4 | -90.1 | -89 | 0 | 0 | 0 | 113.2 | E133 M137 Y139 V430 P493 L1136 | E133-Y1140 WeakPolarHBondContact OE2-CE1 3.32Å; E133-Y1140 PolarHBondContact OE2-OH 3.5Å; M137-Y1140 HydrophobicContact CE-CE2 4.16Å; Y139-Y1140 VanDerWaalsContact CE2-OH 3.31Å; Y139-Y1140 WeakPolarHBondContact CE2-OH 3.19Å; V430-Y1140 HydrophobicContact CG1-CD1 3.97Å; V430-Y1140 HydrophobicContact CG1-CE1 4.44Å; V430-Y1140 HydrophobicContact CG1-CG 4.4Å; V430-Y1140 HydrophobicContact CG2-CG 4.33Å; P493-Y1140 VanDerWaalsContact CD-O 3.32Å; P493-Y1140 WeakPolarHBondContact CD-O 3.36Å; L1136-Y1140 HydrophobicContact CD1-CD2 4.19Å; L1136-Y1140 HydrophobicContact CD1-CE2 3.68Å; L1136-Y1140 HydrophobicContact CG-CD2 4.14Å; L1136-Y1140 HydrophobicContact CG-CE2 4.04Å; L1136-Y1140 WeakPolarHBondContact O-CD2 3.37Å; L1136-Y1140 PolarHBondContact O-N 3.28Å | ||
| 1141 | D | 81.5 | Confident | 74 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.193 | 32% | 0.318 | C | S | . | . | trans | -129.1 | 97.9 | 169.3 | -176.2 | -5.5 | 0 | 0 | 0 | 108.8 | T1143 R1144 | D1141-T1143 PolarHBondContact O-N 3.45Å; D1141-T1143 VanDerWaalsContact O-N 3.09Å; D1141-T1143 WeakPolarHBondContact OD1-CB 3.21Å; D1141-T1143 PolarHBondContact OD1-N 3.22Å; D1141-T1143 VanDerWaalsContact OD1-N 3.1Å; D1141-T1143 PolarHBondContact OD1-OG1 3.44Å; D1141-T1143 PolarHBondContact OD2-OG1 3.36Å; D1141-R1144 HydrophobicContact CB-CG 4.21Å; D1141-R1144 PolarHBondContact O-N 3.23Å; D1141-R1144 WeakPolarHBondContact OD2-CG 3.39Å; D1141-R1144 IonicContact OD2-CZ 3.73Å; D1141-R1144 IonicContact OD2-NE 3.64Å; D1141-R1144 PolarHBondContact OD2-NE 3.07Å; D1141-R1144 IonicContact OD2-NH2 2.74Å | ||
| 1142 | S | 77.6 | Confident | 74.6 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.5 | -178 | 57.6 | 0 | 0 | 0 | 0 | 114 | T490 R491 | T490-S1142 WeakPolarHBondContact CG2-OG 3.44Å; R491-S1142 PolarHBondContact N-OG 2.67Å; R491-S1142 PolarHBondContact O-N 3.42Å; R491-S1142 PolarHBondContact O-OG 3.22Å |
| 1143 | T | 76.5 | Confident | 75 | Confident | 94 Ų | 94 | 72.9 Ų | 72.9 | 58% | 0.577 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -18.6 | 176.3 | 71.4 | 0 | 0 | 0 | 0 | 113.3 | T490 T492 D1141 | T490-T1143 HydrophobicContact CG2-CG2 3.54Å; T492-T1143 HydrophobicContact CG2-CG2 4.32Å; D1141-T1143 PolarHBondContact O-N 3.45Å; D1141-T1143 VanDerWaalsContact O-N 3.09Å; D1141-T1143 WeakPolarHBondContact OD1-CB 3.21Å; D1141-T1143 PolarHBondContact OD1-N 3.22Å; D1141-T1143 VanDerWaalsContact OD1-N 3.1Å; D1141-T1143 PolarHBondContact OD1-OG1 3.44Å; D1141-T1143 PolarHBondContact OD2-OG1 3.36Å |
| 1144 | R | 77 | Confident | 75.4 | Confident | 192 Ų | 192 | 75.9 Ų | 75.9 | 73% | 0.725 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -87.4 | 143.4 | -177.7 | -65.2 | -178.3 | -170.7 | -159 | -4.6 | 112 | D1141 | D1141-R1144 HydrophobicContact CB-CG 4.21Å; D1141-R1144 PolarHBondContact O-N 3.23Å; D1141-R1144 WeakPolarHBondContact OD2-CG 3.39Å; D1141-R1144 IonicContact OD2-CZ 3.73Å; D1141-R1144 IonicContact OD2-NE 3.64Å; D1141-R1144 PolarHBondContact OD2-NE 3.07Å; D1141-R1144 IonicContact OD2-NH2 2.74Å |
| 1145 | R | 75.1 | Confident | 75.7 | Confident | 246 Ų | 246 | 78.6 Ų | 78.6 | 93% | 0.928 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 132.6 | 170.6 | -70.5 | -173.3 | 178.1 | -172.9 | -0.5 | 110.4 | ||
| 1146 | K | 76.7 | Confident | 75.9 | Confident | 45 Ų | 45 | 76.1 Ų | 76.1 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 143.2 | 174.4 | -61 | 180 | 177.5 | -176.1 | 0 | 110.8 | E133 K218 E432 | E133-K1146 WeakPolarHBondContact OE1-CD 3.39Å; E133-K1146 WeakPolarHBondContact OE1-CE 3.44Å; E133-K1146 IonicContact OE1-NZ 3.77Å; E133-K1146 PolarHBondContact OE1-NZ 2.8Å; E133-K1146 WeakPolarHBondContact OE2-CE 3.46Å; E133-K1146 IonicContact OE2-NZ 2.89Å; E133-K1146 PolarHBondContact OE2-NZ 3.11Å; K218-K1146 HydrophobicContact CD-CB 4.07Å; K218-K1146 HydrophobicContact CD-CD 4.35Å; K218-K1146 HydrophobicContact CG-CD 4.3Å; E432-K1146 IonicContact OE1-NZ 2.72Å; E432-K1146 PolarHBondContact OE1-NZ 2.81Å |
| 1147 | P | 80.4 | Confident | 76.2 | Confident | 48 Ų | 48 | 81 Ų | 81 | 31% | 0.312 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 149.2 | 178 | 28 | -35.4 | 0 | 0 | 0 | 112.4 | S132 W219 | S132-P1147 WeakPolarHBondContact O-CD 3.44Å; W219-P1147 HydrophobicContact CZ2-CB 4.22Å; W219-P1147 HydrophobicContact CZ2-CG 4.01Å; W219-P1147 PolarHBondContact NE1-O 2.93Å |
| 1148 | D | 79.9 | Confident | 76.5 | Confident | 92 Ų | 92 | 86.9 Ų | 86.9 | 49% | 0.492 | 39% | 0.393 | S | S | . | . | trans | -86.4 | -16.1 | -174.9 | -71.2 | -13.7 | 0 | 0 | 0 | 114.1 | W219 R1150 | W219-D1148 PolarHBondContact NE1-O 2.84Å; D1148-R1150 HydrophobicContact CB-CG 4.11Å; D1148-R1150 IonicContact OD2-NE 3.99Å; D1148-R1150 IonicContact OD2-NH2 3.09Å | ||
| 1149 | G | 71.7 | Confident | 76.4 | Confident | 3 Ų | 3 | 87 Ų | 87 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | trans | 67.2 | 41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | K115 L164 | K115-G1149 PolarHBondContact NZ-O 2.85Å; L164-G1149 WeakPolarHBondContact O-CA 3.46Å | ||
| 1150 | R | 68.7 | Low | 76.5 | Confident | 210 Ų | 210 | 92.6 Ų | 92.6 | 79% | 0.792 | 42% | 0.417 | S | S | * | . | trans | -76.2 | 0 | -174.2 | -70.1 | -172.6 | -174.3 | -172.1 | 1.7 | 113 | W100 T165 A166 D1148 | W100-R1150 PolarHBondContact NE1-OXT 3.39Å; T165-R1150 CarbonylContact C-O 3.57Å; T165-R1150 VanDerWaalsContact CA-O 3.28Å; T165-R1150 WeakPolarHBondContact CA-O 3.45Å; T165-R1150 WeakPolarHBondContact CB-O 3.43Å; A166-R1150 PolarHBondContact N-O 3.43Å; D1148-R1150 HydrophobicContact CB-CG 4.11Å; D1148-R1150 IonicContact OD2-NE 3.99Å; D1148-R1150 IonicContact OD2-NH2 3.09Å |
Retrieved 1,150 of 1,150 residues in 1487.2 ms
(Link to these results)