| 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 | 30.6 | Very low | 39.5 | Very low | 234 Ų | 234 | 140 Ų | 140 | 100% | 1.153 | 70% | 0.704 | S | S | * | * | 0 | 78.9 | 0 | -86.3 | 177.5 | 163.8 | 0 | 0 | 106.2 | |||||
| 2 | D | 26.3 | Very low | 41.2 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 68% | 0.683 | S | S | * | * | trans | -100 | 102.5 | -179.9 | -62.6 | -21.1 | 0 | 0 | 0 | 106.5 | ||||
| 3 | S | 26.8 | Very low | 42.8 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | trans | -57.8 | 134.1 | 169.2 | -63 | 0 | 0 | 0 | 0 | 107.8 | M5 | S3-M5 PolarHBondContact O-N 3.44Š| ||
| 4 | P | 33.7 | Very low | 44.3 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | trans | -64.4 | 106.2 | 173.2 | 26.3 | -28.9 | 0 | 0 | 0 | 106.7 | F6 | P4-F6 PolarHBondContact O-N 3.49Š| ||
| 5 | M | 31.2 | Very low | 45.8 | Very low | 172 Ų | 172 | 123.3 Ų | 123.3 | 85% | 0.847 | 62% | 0.62 | S | S | * | * | trans | -56.6 | 101.9 | 173.4 | -89.5 | 176.5 | 48.9 | 0 | 0 | 107.9 | S3 S7 | S3-M5 PolarHBondContact O-N 3.44Å; M5-S7 PolarHBondContact O-N 3.28Å | ||
| 6 | F | 36.3 | Very low | 47 | Very low | 162 Ų | 162 | 117.3 Ų | 117.3 | 71% | 0.711 | 59% | 0.588 | S | S | * | * | trans | -54.7 | 115 | 162.3 | -84.2 | -83.3 | 0 | 0 | 0 | 107.4 | P4 K8 | P4-F6 PolarHBondContact O-N 3.49Å; F6-K8 PolarHBondContact O-N 3.04Å | ||
| 7 | S | 41.2 | Very low | 47.9 | Very low | 67 Ų | 67 | 113.9 Ų | 113.9 | 47% | 0.469 | 58% | 0.578 | S | S | . | * | trans | -54.4 | 132.2 | -175.2 | 163.6 | 0 | 0 | 0 | 0 | 111.1 | M5 Y9 K201 | M5-S7 PolarHBondContact O-N 3.28Å; S7-Y9 PolarHBondContact O-N 3.41Å; S7-K201 WeakPolarHBondContact OG-CE 3.49Å; S7-K201 PolarHBondContact OG-NZ 2.86Å | ||
| 8 | K | 41.8 | Very low | 49 | Very low | 188 Ų | 188 | 110.7 Ų | 110.7 | 82% | 0.817 | 57% | 0.565 | S | S | * | * | trans | -46.2 | 131.2 | 167.2 | -70.5 | 177.9 | 177.4 | 177.9 | 0 | 110.4 | F6 S10 | F6-K8 PolarHBondContact O-N 3.04Å; K8-S10 PolarHBondContact O-N 3.47Å; K8-S10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | Y | 48.3 | Very low | 50.2 | Low | 122 Ų | 122 | 107.5 Ų | 107.5 | 48% | 0.478 | 55% | 0.551 | S | S | . | * | trans | -51.9 | 114.9 | 170.4 | -171 | -106.8 | 0 | 0 | 0 | 108.5 | S7 D13 F14 | S7-Y9 PolarHBondContact O-N 3.41Å; Y9-D13 HydrophobicContact CD2-CB 3.89Å; Y9-D13 HydrophobicContact CE1-CB 4.43Å; Y9-D13 HydrophobicContact CE2-CB 3.62Å; Y9-D13 HydrophobicContact CG-CB 4.38Å; Y9-D13 PolarHBondContact OH-O 2.9Å; Y9-F14 HydrophobicContact CD1-CB 4.4Å; Y9-F14 HydrophobicContact CE1-CB 3.63Å; Y9-F14 HydrophobicContact CE1-CD2 4.18Å; Y9-F14 HydrophobicContact CE1-CG 4.4Å; Y9-F14 WeakPolarHBondContact OH-CA 3.36Å | ||
| 10 | S | 60.4 | Low | 51 | Low | 40 Ų | 40 | 102.4 Ų | 102.4 | 28% | 0.28 | 53% | 0.526 | S | S | . | . | trans | -74 | 150.4 | -176 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | K8 L12 D13 F14 | K8-S10 PolarHBondContact O-N 3.47Å; K8-S10 VanDerWaalsContact O-N 3.13Å; S10-L12 PolarHBondContact O-N 3.3Å; S10-L12 PolarHBondContact OG-N 2.98Å; S10-D13 VanDerWaalsContact CB-OD2 3.3Å; S10-D13 WeakPolarHBondContact CB-OD2 3.34Å; S10-D13 PolarHBondContact N-OD2 2.85Å; S10-D13 WeakPolarHBondContact O-CB 3.27Å; S10-D13 PolarHBondContact O-N 3.28Å; S10-F14 PolarHBondContact O-N 3.12Å | ||
| 11 | W | 57.6 | Low | 51.7 | Low | 177 Ų | 177 | 100 Ų | 100 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -53.4 | -27.1 | 166.9 | -179.8 | 88.5 | 0 | 0 | 0 | 111.8 | F14 L15 | W11-F14 WeakPolarHBondContact O-CB 3.47Å; W11-F14 PolarHBondContact O-N 3.41Å; W11-L15 HydrophobicContact CH2-CD2 3.78Å; W11-L15 HydrophobicContact CZ3-CB 4.49Å; W11-L15 HydrophobicContact CZ3-CD2 3.81Å; W11-L15 WeakPolarHBondContact O-CB 3.27Å; W11-L15 PolarHBondContact O-N 3.46Å |
| 12 | L | 60.4 | Low | 53.7 | Low | 87 Ų | 87 | 92.4 Ų | 92.4 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 173.7 | -61.8 | 173.8 | 0 | 0 | 0 | 112.8 | S10 F14 L15 F16 | S10-L12 PolarHBondContact O-N 3.3Å; S10-L12 PolarHBondContact OG-N 2.98Å; L12-F14 VanDerWaalsContact C-N 3.29Å; L12-L15 PolarHBondContact O-N 3.2Å; L12-F16 WeakPolarHBondContact O-CB 3.5Å; L12-F16 VanDerWaalsContact O-CD2 3.26Å; L12-F16 WeakPolarHBondContact O-CD2 3.37Å; L12-F16 PolarHBondContact O-N 3.17Å |
| 13 | D | 61.8 | Low | 55.9 | Low | 63 Ų | 63 | 86 Ų | 86 | 34% | 0.337 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.7 | -36.4 | 178.1 | -56 | -38.6 | 0 | 0 | 0 | 109.9 | Y9 S10 S17 | Y9-D13 HydrophobicContact CD2-CB 3.89Å; Y9-D13 HydrophobicContact CE1-CB 4.43Å; Y9-D13 HydrophobicContact CE2-CB 3.62Å; Y9-D13 HydrophobicContact CG-CB 4.38Å; Y9-D13 PolarHBondContact OH-O 2.9Å; S10-D13 VanDerWaalsContact CB-OD2 3.3Å; S10-D13 WeakPolarHBondContact CB-OD2 3.34Å; S10-D13 PolarHBondContact N-OD2 2.85Å; S10-D13 WeakPolarHBondContact O-CB 3.27Å; S10-D13 PolarHBondContact O-N 3.28Å; D13-S17 WeakPolarHBondContact O-CB 3.4Å; D13-S17 PolarHBondContact O-N 3.22Å |
| 14 | F | 64.4 | Low | 57.9 | Low | 89 Ų | 89 | 82.8 Ų | 82.8 | 39% | 0.39 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.5 | -51.8 | 171.7 | -176.6 | -109.7 | 0 | 0 | 0 | 112.3 | Y9 S10 W11 L12 F16 S17 V18 | Y9-F14 HydrophobicContact CD1-CB 4.4Å; Y9-F14 HydrophobicContact CE1-CB 3.63Å; Y9-F14 HydrophobicContact CE1-CD2 4.18Å; Y9-F14 HydrophobicContact CE1-CG 4.4Å; Y9-F14 WeakPolarHBondContact OH-CA 3.36Å; S10-F14 PolarHBondContact O-N 3.12Å; W11-F14 WeakPolarHBondContact O-CB 3.47Å; W11-F14 PolarHBondContact O-N 3.41Å; L12-F14 VanDerWaalsContact C-N 3.29Å; F14-F16 VanDerWaalsContact C-N 3.31Å; F14-F16 PolarHBondContact O-N 2.99Å; F14-S17 WeakPolarHBondContact O-CB 3.2Å; F14-S17 PolarHBondContact O-N 3.36Å; F14-S17 VanDerWaalsContact O-N 3.16Å; F14-V18 HydrophobicContact CD1-CG2 4.29Å; F14-V18 HydrophobicContact CD2-CG2 4.42Å; F14-V18 HydrophobicContact CE1-CG2 3.89Å; F14-V18 HydrophobicContact CE2-CG2 4.04Å; F14-V18 HydrophobicContact CZ-CG2 3.76Å; F14-V18 WeakPolarHBondContact O-CG2 3.27Å; F14-V18 PolarHBondContact O-N 2.84Å |
| 15 | L | 65.8 | Low | 59.6 | Low | 71 Ų | 71 | 82.7 Ų | 82.7 | 37% | 0.372 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 179.6 | -178.2 | 67.8 | 0 | 0 | 0 | 111.5 | W11 L12 S17 V18 V19 | W11-L15 HydrophobicContact CH2-CD2 3.78Å; W11-L15 HydrophobicContact CZ3-CB 4.49Å; W11-L15 HydrophobicContact CZ3-CD2 3.81Å; W11-L15 WeakPolarHBondContact O-CB 3.27Å; W11-L15 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.2Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 3.02Å; L15-V18 PolarHBondContact O-N 2.9Å; L15-V19 HydrophobicContact CD1-CG2 4.48Å; L15-V19 VanDerWaalsContact O-CG2 3.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 3.32Å |
| 16 | F | 64.8 | Low | 61.7 | Low | 26 Ų | 26 | 80 Ų | 80 | 11% | 0.114 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.8 | -94.6 | -102.2 | 0 | 0 | 0 | 112.3 | L12 F14 V19 G20 W183 R190 | L12-F16 WeakPolarHBondContact O-CB 3.5Å; L12-F16 VanDerWaalsContact O-CD2 3.26Å; L12-F16 WeakPolarHBondContact O-CD2 3.37Å; L12-F16 PolarHBondContact O-N 3.17Å; F14-F16 VanDerWaalsContact C-N 3.31Å; F14-F16 PolarHBondContact O-N 2.99Å; F16-V19 PolarHBondContact O-N 3.33Å; F16-G20 PolarHBondContact O-N 3.29Å; F16-W183 HydrophobicContact CB-CZ2 4.33Å; F16-W183 AromaticContact CD1-CH2 3.24Å; F16-W183 HydrophobicContact CD1-CH2 3.24Å; F16-W183 AromaticContact CD1-CZ2 3.11Å; F16-W183 HydrophobicContact CD1-CZ2 3.11Å; F16-W183 HydrophobicContact CD1-CZ3 4.17Å; F16-W183 HydrophobicContact CD2-CH2 4.22Å; F16-W183 HydrophobicContact CE1-CE3 4.3Å; F16-W183 AromaticContact CE1-CH2 2.93Å; F16-W183 HydrophobicContact CE1-CH2 2.93Å; F16-W183 AromaticContact CE1-CZ2 3.34Å; F16-W183 HydrophobicContact CE1-CZ2 3.34Å; F16-W183 AromaticContact CE1-CZ3 3.47Å; F16-W183 HydrophobicContact CE1-CZ3 3.47Å; F16-W183 VanDerWaalsContact CE1-CZ3 3.47Å; F16-W183 AromaticContact CE2-CH2 3.99Å; F16-W183 HydrophobicContact CE2-CH2 3.99Å; F16-W183 AromaticContact CG-CH2 3.88Å; F16-W183 HydrophobicContact CG-CH2 3.88Å; F16-W183 AromaticContact CG-CZ2 3.77Å; F16-W183 HydrophobicContact CG-CZ2 3.77Å; F16-W183 AromaticContact CZ-CH2 3.33Å; F16-W183 HydrophobicContact CZ-CH2 3.33Å; F16-W183 HydrophobicContact CZ-CZ2 4.13Å; F16-W183 AromaticContact CZ-CZ3 3.8Å; F16-W183 HydrophobicContact CZ-CZ3 3.8Å; F16-R190 VanDerWaalsContact CE1-NH2 3.26Å; F16-R190 VanDerWaalsContact CE2-NH2 3.35Å; F16-R190 VanDerWaalsContact CZ-NH1 3.35Å |
| 17 | S | 62.8 | Low | 63.5 | Low | 60 Ų | 60 | 73.5 Ų | 73.5 | 42% | 0.42 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | D13 F14 L15 G20 V21 | D13-S17 WeakPolarHBondContact O-CB 3.4Å; D13-S17 PolarHBondContact O-N 3.22Å; F14-S17 WeakPolarHBondContact O-CB 3.2Å; F14-S17 PolarHBondContact O-N 3.36Å; F14-S17 VanDerWaalsContact O-N 3.16Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 3.02Å; S17-G20 PolarHBondContact O-N 3.11Å; S17-V21 WeakPolarHBondContact O-CG2 3.36Å; S17-V21 PolarHBondContact O-N 2.85Å |
| 18 | V | 67.8 | Low | 65 | Low | 57 Ų | 57 | 73.1 Ų | 73.1 | 35% | 0.345 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | F14 L15 G20 V21 C22 | F14-V18 HydrophobicContact CD1-CG2 4.29Å; F14-V18 HydrophobicContact CD2-CG2 4.42Å; F14-V18 HydrophobicContact CE1-CG2 3.89Å; F14-V18 HydrophobicContact CE2-CG2 4.04Å; F14-V18 HydrophobicContact CZ-CG2 3.76Å; F14-V18 WeakPolarHBondContact O-CG2 3.27Å; F14-V18 PolarHBondContact O-N 2.84Å; L15-V18 PolarHBondContact O-N 2.9Å; V18-G20 VanDerWaalsContact C-N 3.32Å; V18-G20 PolarHBondContact O-N 3.48Å; V18-V21 PolarHBondContact O-N 2.85Å; V18-C22 PolarHBondContact O-N 3.43Å; V18-C22 PolarHBondContact O-SG 3.11Å |
| 19 | V | 71.3 | Confident | 66.8 | Low | 49 Ų | 49 | 66.1 Ų | 66.1 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | L15 F16 V21 C22 T23 W183 | L15-V19 HydrophobicContact CD1-CG2 4.48Å; L15-V19 VanDerWaalsContact O-CG2 3.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 3.32Å; F16-V19 PolarHBondContact O-N 3.33Å; V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 PolarHBondContact O-N 3.1Å; V19-C22 PolarHBondContact O-N 3.46Å; V19-T23 HydrophobicContact CG1-CG2 4.28Å; V19-T23 WeakPolarHBondContact O-CG2 3.45Å; V19-T23 PolarHBondContact O-N 2.78Å; V19-T23 PolarHBondContact O-OG1 2.81Å; V19-W183 HydrophobicContact CB-CZ2 3.91Å; V19-W183 HydrophobicContact CG1-CD2 4.47Å; V19-W183 HydrophobicContact CG1-CH2 4.2Å; V19-W183 HydrophobicContact CG1-CZ2 3.61Å |
| 20 | G | 66.6 | Low | 68.3 | Low | 5 Ų | 5 | 61.4 Ų | 61.4 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.2 | -30.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F16 S17 V18 T23 F24 R141 | F16-G20 PolarHBondContact O-N 3.29Å; S17-G20 PolarHBondContact O-N 3.11Å; V18-G20 VanDerWaalsContact C-N 3.32Å; V18-G20 PolarHBondContact O-N 3.48Å; G20-T23 WeakPolarHBondContact CA-OG1 3.32Å; G20-T23 PolarHBondContact O-OG1 3.33Å; G20-F24 PolarHBondContact O-N 3.38Å; G20-R141 PolarHBondContact O-NH2 3.26Å |
| 21 | V | 66.9 | Low | 69.3 | Low | 53 Ų | 53 | 60.2 Ų | 60.2 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75.2 | -44.4 | 173.1 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | S17 V18 V19 T23 F24 L25 | S17-V21 WeakPolarHBondContact O-CG2 3.36Å; S17-V21 PolarHBondContact O-N 2.85Å; V18-V21 PolarHBondContact O-N 2.85Å; V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 PolarHBondContact O-N 3.1Å; V21-T23 PolarHBondContact O-N 3.49Å; V21-F24 WeakPolarHBondContact O-CB 3.43Å; V21-F24 PolarHBondContact O-N 3.16Å; V21-L25 HydrophobicContact CG1-CD1 4.26Å; V21-L25 WeakPolarHBondContact O-CG 3.38Å; V21-L25 PolarHBondContact O-N 2.95Å |
| 22 | C | 72.3 | Confident | 70.5 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177.4 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | V18 V19 F24 L25 F26 | V18-C22 PolarHBondContact O-N 3.43Å; V18-C22 PolarHBondContact O-SG 3.11Å; V19-C22 PolarHBondContact O-N 3.46Å; C22-F24 VanDerWaalsContact C-N 3.32Å; C22-F24 PolarHBondContact O-N 2.91Å; C22-L25 PolarHBondContact O-N 3.31Å; C22-F26 WeakPolarHBondContact O-CB 3.45Å; C22-F26 PolarHBondContact O-N 3.42Å |
| 23 | T | 70.9 | Confident | 71.7 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 18% | 0.184 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 176.8 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | V19 G20 V21 F26 D27 | V19-T23 HydrophobicContact CG1-CG2 4.28Å; V19-T23 WeakPolarHBondContact O-CG2 3.45Å; V19-T23 PolarHBondContact O-N 2.78Å; V19-T23 PolarHBondContact O-OG1 2.81Å; G20-T23 WeakPolarHBondContact CA-OG1 3.32Å; G20-T23 PolarHBondContact O-OG1 3.33Å; V21-T23 PolarHBondContact O-N 3.49Å; T23-F26 PolarHBondContact O-N 3.22Å; T23-D27 WeakPolarHBondContact O-CB 3.37Å; T23-D27 PolarHBondContact O-N 3.19Å |
| 24 | F | 68.9 | Low | 72.8 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -48 | 175.9 | 171.5 | -101.3 | 0 | 0 | 0 | 112.3 | G20 V21 C22 F26 D27 V28 | G20-F24 PolarHBondContact O-N 3.38Å; V21-F24 WeakPolarHBondContact O-CB 3.43Å; V21-F24 PolarHBondContact O-N 3.16Å; C22-F24 VanDerWaalsContact C-N 3.32Å; C22-F24 PolarHBondContact O-N 2.91Å; F24-F26 PolarHBondContact O-N 3.38Å; F24-D27 WeakPolarHBondContact O-CB 3.26Å; F24-D27 PolarHBondContact O-N 3.24Å; F24-V28 HydrophobicContact CE1-CG2 4.26Å; F24-V28 HydrophobicContact CE2-CG2 4.08Å; F24-V28 HydrophobicContact CZ-CG2 3.93Å; F24-V28 WeakPolarHBondContact O-CG2 3.26Å; F24-V28 PolarHBondContact O-N 3.27Å; F24-V28 VanDerWaalsContact O-N 3.11Å |
| 25 | L | 71.1 | Confident | 73.9 | Confident | 110 Ų | 110 | 56.1 Ų | 56.1 | 58% | 0.576 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.1 | -36.6 | 177.4 | -68.6 | 175.3 | 0 | 0 | 0 | 111.8 | V21 C22 G29 | V21-L25 HydrophobicContact CG1-CD1 4.26Å; V21-L25 WeakPolarHBondContact O-CG 3.38Å; V21-L25 PolarHBondContact O-N 2.95Å; C22-L25 PolarHBondContact O-N 3.31Å; L25-G29 PolarHBondContact O-N 3.46Å |
| 26 | F | 74.1 | Confident | 74.9 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.7 | -177.5 | -94.5 | 0 | 0 | 0 | 111.9 | C22 T23 F24 G29 S30 | C22-F26 WeakPolarHBondContact O-CB 3.45Å; C22-F26 PolarHBondContact O-N 3.42Å; T23-F26 PolarHBondContact O-N 3.22Å; F24-F26 PolarHBondContact O-N 3.38Å; F26-G29 PolarHBondContact O-N 3.32Å; F26-S30 WeakPolarHBondContact O-CB 3.38Å; F26-S30 PolarHBondContact O-N 2.82Å; F26-S30 PolarHBondContact O-OG 3.42Å |
| 27 | D | 73.6 | Confident | 75.9 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 14% | 0.139 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.9 | -53.8 | 178.9 | -151.3 | 51.7 | 0 | 0 | 0 | 110.9 | T23 F24 G29 S30 D31 S149 | T23-D27 WeakPolarHBondContact O-CB 3.37Å; T23-D27 PolarHBondContact O-N 3.19Å; F24-D27 WeakPolarHBondContact O-CB 3.26Å; F24-D27 PolarHBondContact O-N 3.24Å; D27-G29 VanDerWaalsContact C-N 3.32Å; D27-G29 PolarHBondContact O-N 2.92Å; D27-S30 WeakPolarHBondContact CA-OG 3.35Å; D27-S30 PolarHBondContact O-N 3.42Å; D27-S30 PolarHBondContact O-OG 2.86Å; D27-D31 PolarHBondContact O-N 3.47Å; D27-S149 PolarHBondContact OD2-OG 3.43Å |
| 28 | V | 74 | Confident | 77 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57 | -44.9 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | F24 D31 I32 | F24-V28 HydrophobicContact CE1-CG2 4.26Å; F24-V28 HydrophobicContact CE2-CG2 4.08Å; F24-V28 HydrophobicContact CZ-CG2 3.93Å; F24-V28 WeakPolarHBondContact O-CG2 3.26Å; F24-V28 PolarHBondContact O-N 3.27Å; F24-V28 VanDerWaalsContact O-N 3.11Å; V28-D31 PolarHBondContact O-N 3.07Å; V28-I32 HydrophobicContact CG1-CD1 4.06Å; V28-I32 WeakPolarHBondContact O-CG1 3.22Å; V28-I32 PolarHBondContact O-N 3.25Å |
| 29 | G | 78.8 | Confident | 78.1 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L25 F26 D27 W33 | L25-G29 PolarHBondContact O-N 3.46Å; F26-G29 PolarHBondContact O-N 3.32Å; D27-G29 VanDerWaalsContact C-N 3.32Å; D27-G29 PolarHBondContact O-N 2.92Å; G29-W33 WeakPolarHBondContact O-CB 3.23Å; G29-W33 PolarHBondContact O-N 2.96Å |
| 30 | S | 79.1 | Confident | 79 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 16% | 0.161 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 179.1 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | F26 D27 W33 V34 | F26-S30 WeakPolarHBondContact O-CB 3.38Å; F26-S30 PolarHBondContact O-N 2.82Å; F26-S30 PolarHBondContact O-OG 3.42Å; D27-S30 WeakPolarHBondContact CA-OG 3.35Å; D27-S30 PolarHBondContact O-N 3.42Å; D27-S30 PolarHBondContact O-OG 2.86Å; S30-W33 WeakPolarHBondContact O-CB 3.35Å; S30-W33 PolarHBondContact O-N 3.27Å; S30-V34 WeakPolarHBondContact O-CB 3.15Å; S30-V34 VanDerWaalsContact O-CG2 3.25Å; S30-V34 WeakPolarHBondContact O-CG2 3.13Å; S30-V34 PolarHBondContact O-N 2.77Å |
| 31 | D | 82 | Confident | 80 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 178.2 | -74.6 | -11.8 | 0 | 0 | 0 | 111.9 | D27 V28 W33 V34 A35 M54 Q152 | D27-D31 PolarHBondContact O-N 3.47Å; V28-D31 PolarHBondContact O-N 3.07Å; D31-W33 VanDerWaalsContact C-N 3.3Å; D31-W33 PolarHBondContact O-N 3.49Å; D31-V34 PolarHBondContact O-N 2.99Å; D31-A35 VanDerWaalsContact O-CB 3.31Å; D31-A35 WeakPolarHBondContact O-CB 3.4Å; D31-A35 PolarHBondContact O-N 3.38Å; D31-M54 HydrophobicContact CB-CE 3.74Å; D31-M54 HydrophobicContact CB-SD 4.49Å; D31-Q152 PolarHBondContact OD1-OE1 3.3Å; D31-Q152 PolarHBondContact OD2-NE2 3.29Å |
| 32 | I | 83.9 | Confident | 81 | Confident | 103 Ų | 103 | 66.6 Ų | 66.6 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.6 | -66.2 | 168.6 | 0 | 0 | 0 | 110.4 | V28 T36 | V28-I32 HydrophobicContact CG1-CD1 4.06Å; V28-I32 WeakPolarHBondContact O-CG1 3.22Å; V28-I32 PolarHBondContact O-N 3.25Å; I32-T36 WeakPolarHBondContact O-CB 3.35Å; I32-T36 PolarHBondContact O-N 2.8Å; I32-T36 PolarHBondContact O-OG1 3.42Å |
| 33 | W | 85.4 | Confident | 81.7 | Confident | 184 Ų | 184 | 66.4 Ų | 66.4 | 70% | 0.697 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.9 | -50.5 | 178.1 | 174.9 | -90 | 0 | 0 | 0 | 111.6 | G29 S30 D31 T36 E37 | G29-W33 WeakPolarHBondContact O-CB 3.23Å; G29-W33 PolarHBondContact O-N 2.96Å; S30-W33 WeakPolarHBondContact O-CB 3.35Å; S30-W33 PolarHBondContact O-N 3.27Å; D31-W33 VanDerWaalsContact C-N 3.3Å; D31-W33 PolarHBondContact O-N 3.49Å; W33-T36 PolarHBondContact O-N 2.93Å; W33-E37 WeakPolarHBondContact O-CB 3.27Å; W33-E37 PolarHBondContact O-N 3.34Å |
| 34 | V | 84.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 71 Ų | 71 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | -179.4 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | S30 D31 T36 E37 L38 L50 M156 | S30-V34 WeakPolarHBondContact O-CB 3.15Å; S30-V34 VanDerWaalsContact O-CG2 3.25Å; S30-V34 WeakPolarHBondContact O-CG2 3.13Å; S30-V34 PolarHBondContact O-N 2.77Å; D31-V34 PolarHBondContact O-N 2.99Å; V34-T36 VanDerWaalsContact C-N 3.32Å; V34-T36 PolarHBondContact O-N 3.06Å; V34-E37 PolarHBondContact O-N 2.69Å; V34-L38 HydrophobicContact CG1-CD1 4.07Å; V34-L38 HydrophobicContact CG1-CG 4.47Å; V34-L38 WeakPolarHBondContact O-CG 3.49Å; V34-L38 PolarHBondContact O-N 3.16Å; V34-L50 HydrophobicContact CB-CD2 4.38Å; V34-L50 HydrophobicContact CG1-CD2 3.7Å; V34-M156 HydrophobicContact CB-SD 4.44Å; V34-M156 HydrophobicContact CG1-CE 3.53Å; V34-M156 HydrophobicContact CG1-CG 4.43Å; V34-M156 HydrophobicContact CG1-SD 3.29Å; V34-M156 WeakPolarHBondContact CG1-SD 3.24Å; V34-M156 HydrophobicContact CG2-SD 4.27Å |
| 35 | A | 86.7 | Confident | 83.6 | Confident | 11 Ų | 11 | 76.3 Ų | 76.3 | 9% | 0.091 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D31 L38 Y39 F47 L50 I51 | D31-A35 VanDerWaalsContact O-CB 3.31Å; D31-A35 WeakPolarHBondContact O-CB 3.4Å; D31-A35 PolarHBondContact O-N 3.38Å; A35-L38 PolarHBondContact O-N 3.22Å; A35-Y39 WeakPolarHBondContact O-CB 3.23Å; A35-Y39 PolarHBondContact O-N 2.76Å; A35-F47 HydrophobicContact CB-CD2 4.43Å; A35-F47 HydrophobicContact CB-CE2 4.12Å; A35-F47 WeakPolarHBondContact O-CD2 3.48Å; A35-L50 HydrophobicContact CB-CD2 3.94Å; A35-I51 HydrophobicContact CB-CD1 4.34Å |
| 36 | T | 86.8 | Confident | 84.4 | Confident | 78 Ų | 78 | 74 Ų | 74 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.2 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | I32 W33 V34 S40 | I32-T36 WeakPolarHBondContact O-CB 3.35Å; I32-T36 PolarHBondContact O-N 2.8Å; I32-T36 PolarHBondContact O-OG1 3.42Å; W33-T36 PolarHBondContact O-N 2.93Å; V34-T36 VanDerWaalsContact C-N 3.32Å; V34-T36 PolarHBondContact O-N 3.06Å; T36-S40 VanDerWaalsContact O-CB 3.28Å; T36-S40 WeakPolarHBondContact O-CB 3.19Å; T36-S40 PolarHBondContact O-N 2.99Å; T36-S40 PolarHBondContact O-OG 2.89Å |
| 37 | E | 86.7 | Confident | 85.2 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 31% | 0.308 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 178.3 | -173.9 | 69.9 | -171.7 | 0 | 0 | 111.6 | W33 V34 Y39 S40 R41 | W33-E37 WeakPolarHBondContact O-CB 3.27Å; W33-E37 PolarHBondContact O-N 3.34Å; V34-E37 PolarHBondContact O-N 2.69Å; E37-Y39 PolarHBondContact O-N 2.9Å; E37-S40 PolarHBondContact O-N 3Å; E37-R41 WeakPolarHBondContact O-CB 3.22Å; E37-R41 VanDerWaalsContact O-CG 3.28Å; E37-R41 WeakPolarHBondContact O-CG 3.1Å; E37-R41 PolarHBondContact O-N 3.5Å; E37-R41 IonicContact OE1-CZ 2.81Å; E37-R41 IonicContact OE1-NE 3.23Å; E37-R41 PolarHBondContact OE1-NE 2.66Å; E37-R41 IonicContact OE1-NH2 3.34Å; E37-R41 PolarHBondContact OE1-NH2 3.15Å |
| 38 | L | 86.7 | Confident | 86 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.3 | -71.6 | 172.5 | 0 | 0 | 0 | 111.9 | V34 A35 R41 G42 D43 W46 F47 L50 M156 I159 | V34-L38 HydrophobicContact CG1-CD1 4.07Å; V34-L38 HydrophobicContact CG1-CG 4.47Å; V34-L38 WeakPolarHBondContact O-CG 3.49Å; V34-L38 PolarHBondContact O-N 3.16Å; A35-L38 PolarHBondContact O-N 3.22Å; L38-R41 PolarHBondContact O-N 2.91Å; L38-G42 PolarHBondContact O-N 3.32Å; L38-D43 HydrophobicContact CD2-CB 4.14Å; L38-D43 PolarHBondContact O-N 3.07Å; L38-W46 HydrophobicContact CD1-CB 4.41Å; L38-W46 HydrophobicContact CD2-CB 4.26Å; L38-F47 HydrophobicContact CB-CB 4.05Å; L38-F47 HydrophobicContact CB-CD2 4.46Å; L38-L50 HydrophobicContact CD1-CB 4.45Å; L38-L50 HydrophobicContact CD1-CD2 3.89Å; L38-M156 HydrophobicContact CD1-CE 4.36Å; L38-I159 HydrophobicContact CD2-CD1 4.21Å |
| 39 | Y | 90.6 | Very high | 86.8 | Confident | 138 Ų | 138 | 71.5 Ų | 71.5 | 54% | 0.541 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175.2 | -175 | -94.5 | 0 | 0 | 0 | 111.6 | A35 E37 R41 G42 F44 F47 | A35-Y39 WeakPolarHBondContact O-CB 3.23Å; A35-Y39 PolarHBondContact O-N 2.76Å; E37-Y39 PolarHBondContact O-N 2.9Å; Y39-R41 VanDerWaalsContact C-N 3.29Å; Y39-R41 PolarHBondContact O-N 3.47Å; Y39-G42 PolarHBondContact O-N 3.15Å; Y39-G42 VanDerWaalsContact O-N 3.09Å; Y39-F44 HydrophobicContact CD2-CD1 4.3Å; Y39-F44 AromaticContact CD2-CE1 3.89Å; Y39-F44 HydrophobicContact CD2-CE1 3.89Å; Y39-F44 HydrophobicContact CE2-CD1 4.43Å; Y39-F44 AromaticContact CE2-CE1 3.77Å; Y39-F44 HydrophobicContact CE2-CE1 3.77Å; Y39-F47 HydrophobicContact CD2-CE1 4.3Å; Y39-F47 HydrophobicContact CD2-CE2 4.43Å; Y39-F47 HydrophobicContact CD2-CZ 4.24Å |
| 40 | S | 90.3 | Very high | 87.3 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 60% | 0.601 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.8 | -30.1 | -178.8 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | T36 E37 G42 | T36-S40 VanDerWaalsContact O-CB 3.28Å; T36-S40 WeakPolarHBondContact O-CB 3.19Å; T36-S40 PolarHBondContact O-N 2.99Å; T36-S40 PolarHBondContact O-OG 2.89Å; E37-S40 PolarHBondContact O-N 3Å; S40-G42 VanDerWaalsContact C-N 3.31Å |
| 41 | R | 87.1 | Confident | 87.9 | Confident | 130 Ų | 130 | 71.4 Ų | 71.4 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -78.6 | -11.8 | 174.5 | -71.7 | 178.7 | -176.7 | -170.9 | 7.6 | 113.9 | E37 L38 Y39 D43 | E37-R41 WeakPolarHBondContact O-CB 3.22Å; E37-R41 VanDerWaalsContact O-CG 3.28Å; E37-R41 WeakPolarHBondContact O-CG 3.1Å; E37-R41 PolarHBondContact O-N 3.5Å; E37-R41 IonicContact OE1-CZ 2.81Å; E37-R41 IonicContact OE1-NE 3.23Å; E37-R41 PolarHBondContact OE1-NE 2.66Å; E37-R41 IonicContact OE1-NH2 3.34Å; E37-R41 PolarHBondContact OE1-NH2 3.15Å; L38-R41 PolarHBondContact O-N 2.91Å; Y39-R41 VanDerWaalsContact C-N 3.29Å; Y39-R41 PolarHBondContact O-N 3.47Å; R41-D43 VanDerWaalsContact C-N 3.34Å |
| 42 | G | 88.1 | Confident | 88.3 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 12.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L38 Y39 S40 F44 | L38-G42 PolarHBondContact O-N 3.32Å; Y39-G42 PolarHBondContact O-N 3.15Å; Y39-G42 VanDerWaalsContact O-N 3.09Å; S40-G42 VanDerWaalsContact C-N 3.31Å; G42-F44 VanDerWaalsContact O-CD2 3.24Å; G42-F44 WeakPolarHBondContact O-CD2 3.09Å; G42-F44 PolarHBondContact O-N 3.45Å |
| 43 | D | 86.9 | Confident | 88.6 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | trans | -80.1 | 58.5 | 178.9 | -72 | -40.2 | 0 | 0 | 0 | 111 | L38 R41 F45 W46 F47 | L38-D43 HydrophobicContact CD2-CB 4.14Å; L38-D43 PolarHBondContact O-N 3.07Å; R41-D43 VanDerWaalsContact C-N 3.34Å; D43-F45 PolarHBondContact O-N 3.46Å; D43-F45 VanDerWaalsContact O-N 3.16Å; D43-W46 PolarHBondContact O-N 2.83Å; D43-F47 PolarHBondContact O-N 3.29Å | ||
| 44 | F | 89.6 | Confident | 88.7 | Confident | 125 Ų | 125 | 62.8 Ų | 62.8 | 55% | 0.548 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -29.9 | -170.6 | -62.9 | -65 | 0 | 0 | 0 | 114.2 | Y39 G42 G48 | Y39-F44 HydrophobicContact CD2-CD1 4.3Å; Y39-F44 AromaticContact CD2-CE1 3.89Å; Y39-F44 HydrophobicContact CD2-CE1 3.89Å; Y39-F44 HydrophobicContact CE2-CD1 4.43Å; Y39-F44 AromaticContact CE2-CE1 3.77Å; Y39-F44 HydrophobicContact CE2-CE1 3.77Å; G42-F44 VanDerWaalsContact O-CD2 3.24Å; G42-F44 WeakPolarHBondContact O-CD2 3.09Å; G42-F44 PolarHBondContact O-N 3.45Å; F44-G48 PolarHBondContact O-N 3.29Å |
| 45 | F | 89.8 | Confident | 88.9 | Confident | 148 Ų | 148 | 64.5 Ų | 64.5 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.8 | -53.2 | 176 | 177.1 | -99.3 | 0 | 0 | 0 | 111.2 | D43 F47 G48 V49 | D43-F45 PolarHBondContact O-N 3.46Å; D43-F45 VanDerWaalsContact O-N 3.16Å; F45-F47 VanDerWaalsContact C-N 3.34Å; F45-F47 PolarHBondContact O-N 2.93Å; F45-G48 PolarHBondContact O-N 3.46Å; F45-G48 VanDerWaalsContact O-N 3.15Å; F45-V49 HydrophobicContact CD1-CG2 4.45Å; F45-V49 HydrophobicContact CE1-CG2 4.05Å; F45-V49 HydrophobicContact CZ-CG2 4.09Å; F45-V49 WeakPolarHBondContact O-CG2 3.42Å; F45-V49 PolarHBondContact O-N 2.84Å |
| 46 | W | 87.8 | Confident | 89.1 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 24% | 0.235 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.1 | -33.9 | -179.9 | -64.8 | 119.5 | 0 | 0 | 0 | 112.4 | L38 D43 V49 L50 L155 H158 I159 P233 | L38-W46 HydrophobicContact CD1-CB 4.41Å; L38-W46 HydrophobicContact CD2-CB 4.26Å; D43-W46 PolarHBondContact O-N 2.83Å; W46-V49 HydrophobicContact CE3-CG2 4.48Å; W46-V49 PolarHBondContact O-N 3.35Å; W46-L50 WeakPolarHBondContact O-CB 3.38Å; W46-L50 PolarHBondContact O-N 2.95Å; W46-L155 HydrophobicContact CD2-CD1 4.21Å; W46-L155 HydrophobicContact CE3-CD1 3.26Å; W46-L155 HydrophobicContact CH2-CD1 4.35Å; W46-L155 HydrophobicContact CZ3-CD1 3.34Å; W46-H158 AromaticContact CH2-CD2 3.62Å; W46-H158 AromaticContact CH2-NE2 3.31Å; W46-H158 VanDerWaalsContact CH2-NE2 3.31Å; W46-H158 WeakPolarHBondContact CH2-NE2 3.3Å; W46-H158 AromaticContact CZ2-CD2 3.9Å; W46-H158 AromaticContact CZ2-NE2 3.29Å; W46-H158 VanDerWaalsContact CZ2-NE2 3.29Å; W46-H158 WeakPolarHBondContact CZ2-NE2 3.35Å; W46-I159 HydrophobicContact CB-CD1 4.36Å; W46-I159 HydrophobicContact CG-CD1 4.44Å; W46-P233 HydrophobicContact CH2-CB 4.14Å |
| 47 | F | 89.9 | Confident | 89.3 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 168 | 174.1 | -99 | 0 | 0 | 0 | 111.4 | A35 L38 Y39 D43 F45 V49 L50 I51 | A35-F47 HydrophobicContact CB-CD2 4.43Å; A35-F47 HydrophobicContact CB-CE2 4.12Å; A35-F47 WeakPolarHBondContact O-CD2 3.48Å; L38-F47 HydrophobicContact CB-CB 4.05Å; L38-F47 HydrophobicContact CB-CD2 4.46Å; Y39-F47 HydrophobicContact CD2-CE1 4.3Å; Y39-F47 HydrophobicContact CD2-CE2 4.43Å; Y39-F47 HydrophobicContact CD2-CZ 4.24Å; D43-F47 PolarHBondContact O-N 3.29Å; F45-F47 VanDerWaalsContact C-N 3.34Å; F45-F47 PolarHBondContact O-N 2.93Å; F47-V49 PolarHBondContact O-N 3.39Å; F47-L50 PolarHBondContact O-N 2.8Å; F47-I51 HydrophobicContact CD1-CG1 4.44Å; F47-I51 HydrophobicContact CD2-CG1 4.32Å; F47-I51 HydrophobicContact CE1-CG1 4.03Å; F47-I51 HydrophobicContact CE2-CD1 4.18Å; F47-I51 HydrophobicContact CE2-CG1 3.9Å; F47-I51 HydrophobicContact CZ-CD1 4.23Å; F47-I51 HydrophobicContact CZ-CG1 3.74Å; F47-I51 WeakPolarHBondContact O-CG1 3.39Å; F47-I51 PolarHBondContact O-N 3.43Å |
| 48 | G | 91.1 | Very high | 89.3 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F44 F45 G52 | F44-G48 PolarHBondContact O-N 3.29Å; F45-G48 PolarHBondContact O-N 3.46Å; F45-G48 VanDerWaalsContact O-N 3.15Å; G48-G52 PolarHBondContact O-N 3.05Å |
| 49 | V | 90.6 | Very high | 89.4 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | F45 W46 F47 G52 L53 L155 | F45-V49 HydrophobicContact CD1-CG2 4.45Å; F45-V49 HydrophobicContact CE1-CG2 4.05Å; F45-V49 HydrophobicContact CZ-CG2 4.09Å; F45-V49 WeakPolarHBondContact O-CG2 3.42Å; F45-V49 PolarHBondContact O-N 2.84Å; W46-V49 HydrophobicContact CE3-CG2 4.48Å; W46-V49 PolarHBondContact O-N 3.35Å; F47-V49 PolarHBondContact O-N 3.39Å; V49-G52 PolarHBondContact O-N 3.04Å; V49-L53 HydrophobicContact CG1-CD1 4.34Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.11Å; V49-L155 HydrophobicContact CG1-CD2 4.07Å |
| 50 | L | 90.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -53.3 | 178.7 | 177.2 | 64.4 | 0 | 0 | 0 | 111.7 | V34 A35 L38 W46 F47 G52 L53 M54 Q152 L155 M156 | V34-L50 HydrophobicContact CB-CD2 4.38Å; V34-L50 HydrophobicContact CG1-CD2 3.7Å; A35-L50 HydrophobicContact CB-CD2 3.94Å; L38-L50 HydrophobicContact CD1-CB 4.45Å; L38-L50 HydrophobicContact CD1-CD2 3.89Å; W46-L50 WeakPolarHBondContact O-CB 3.38Å; W46-L50 PolarHBondContact O-N 2.95Å; F47-L50 PolarHBondContact O-N 2.8Å; L50-G52 VanDerWaalsContact C-N 3.26Å; L50-G52 PolarHBondContact O-N 3.31Å; L50-L53 WeakPolarHBondContact O-CB 3.44Å; L50-L53 PolarHBondContact O-N 2.89Å; L50-L53 VanDerWaalsContact O-N 3.17Å; L50-M54 WeakPolarHBondContact O-CG 3.42Å; L50-M54 PolarHBondContact O-N 2.88Å; L50-M54 VanDerWaalsContact O-N 3.08Å; L50-Q152 HydrophobicContact CD1-CB 4.44Å; L50-Q152 HydrophobicContact CD1-CG 3.7Å; L50-L155 HydrophobicContact CB-CD2 4.28Å; L50-M156 HydrophobicContact CD1-CE 4.21Å |
| 51 | I | 90.9 | Very high | 89.3 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 178.2 | -63.4 | -60.6 | 0 | 0 | 0 | 110.9 | A35 F47 L53 M54 V55 | A35-I51 HydrophobicContact CB-CD1 4.34Å; F47-I51 HydrophobicContact CD1-CG1 4.44Å; F47-I51 HydrophobicContact CD2-CG1 4.32Å; F47-I51 HydrophobicContact CE1-CG1 4.03Å; F47-I51 HydrophobicContact CE2-CD1 4.18Å; F47-I51 HydrophobicContact CE2-CG1 3.9Å; F47-I51 HydrophobicContact CZ-CD1 4.23Å; F47-I51 HydrophobicContact CZ-CG1 3.74Å; F47-I51 WeakPolarHBondContact O-CG1 3.39Å; F47-I51 PolarHBondContact O-N 3.43Å; I51-L53 PolarHBondContact O-N 3.07Å; I51-M54 HydrophobicContact CD1-SD 4.14Å; I51-M54 PolarHBondContact O-N 2.89Å; I51-V55 HydrophobicContact CG2-CG2 4.18Å; I51-V55 WeakPolarHBondContact O-CB 3.4Å; I51-V55 VanDerWaalsContact O-CG2 3.32Å; I51-V55 WeakPolarHBondContact O-CG2 3.4Å; I51-V55 PolarHBondContact O-N 2.9Å |
| 52 | G | 90.9 | Very high | 89.2 | Confident | 38 Ų | 38 | 50.9 Ų | 50.9 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G48 V49 L50 L56 | G48-G52 PolarHBondContact O-N 3.05Å; V49-G52 PolarHBondContact O-N 3.04Å; L50-G52 VanDerWaalsContact C-N 3.26Å; L50-G52 PolarHBondContact O-N 3.31Å; G52-L56 WeakPolarHBondContact O-CB 3.28Å; G52-L56 PolarHBondContact O-N 3.23Å |
| 53 | L | 90.6 | Very high | 89.2 | Confident | 37 Ų | 37 | 53 Ų | 53 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 174.7 | -70.6 | 170.9 | 0 | 0 | 0 | 111.7 | V49 L50 I51 L56 S57 P151 Q152 | V49-L53 HydrophobicContact CG1-CD1 4.34Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.11Å; L50-L53 WeakPolarHBondContact O-CB 3.44Å; L50-L53 PolarHBondContact O-N 2.89Å; L50-L53 VanDerWaalsContact O-N 3.17Å; I51-L53 PolarHBondContact O-N 3.07Å; L53-L56 PolarHBondContact O-N 3.36Å; L53-S57 WeakPolarHBondContact O-CB 3.43Å; L53-S57 PolarHBondContact O-N 3.3Å; L53-P151 HydrophobicContact CD1-CB 3.94Å; L53-P151 HydrophobicContact CD2-CB 3.86Å; L53-P151 HydrophobicContact CG-CB 4.49Å; L53-Q152 HydrophobicContact CD1-CG 4.38Å |
| 54 | M | 87.4 | Confident | 89.2 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 177.4 | -62.5 | -179.3 | 84.7 | 0 | 0 | 111.6 | D31 L50 I51 S57 S58 E148 | D31-M54 HydrophobicContact CB-CE 3.74Å; D31-M54 HydrophobicContact CB-SD 4.49Å; L50-M54 WeakPolarHBondContact O-CG 3.42Å; L50-M54 PolarHBondContact O-N 2.88Å; L50-M54 VanDerWaalsContact O-N 3.08Å; I51-M54 HydrophobicContact CD1-SD 4.14Å; I51-M54 PolarHBondContact O-N 2.89Å; M54-S57 PolarHBondContact O-N 2.9Å; M54-S58 VanDerWaalsContact O-CB 3.27Å; M54-S58 WeakPolarHBondContact O-CB 3.43Å; M54-S58 PolarHBondContact O-N 3.03Å; M54-E148 WeakPolarHBondContact CG-OE1 3.34Å |
| 55 | V | 88.3 | Confident | 89 | Confident | 68 Ų | 68 | 43.6 Ų | 43.6 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | I51 S58 V59 | I51-V55 HydrophobicContact CG2-CG2 4.18Å; I51-V55 WeakPolarHBondContact O-CB 3.4Å; I51-V55 VanDerWaalsContact O-CG2 3.32Å; I51-V55 WeakPolarHBondContact O-CG2 3.4Å; I51-V55 PolarHBondContact O-N 2.9Å; V55-S58 PolarHBondContact O-N 2.81Å; V55-V59 VanDerWaalsContact O-CG2 3.32Å; V55-V59 WeakPolarHBondContact O-CG2 3.32Å; V55-V59 PolarHBondContact O-N 3.03Å |
| 56 | L | 90.8 | Very high | 88.7 | Confident | 109 Ų | 109 | 39.1 Ų | 39.1 | 57% | 0.571 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.4 | -47.4 | 178.8 | 179.2 | 62.1 | 0 | 0 | 0 | 111.5 | G52 L53 V59 V60 | G52-L56 WeakPolarHBondContact O-CB 3.28Å; G52-L56 PolarHBondContact O-N 3.23Å; L53-L56 PolarHBondContact O-N 3.36Å; L56-V59 PolarHBondContact O-N 3.45Å; L56-V60 WeakPolarHBondContact O-CG2 3.33Å; L56-V60 PolarHBondContact O-N 2.9Å |
| 57 | S | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 175 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | L53 M54 V59 V60 V61 C147 E148 | L53-S57 WeakPolarHBondContact O-CB 3.43Å; L53-S57 PolarHBondContact O-N 3.3Å; M54-S57 PolarHBondContact O-N 2.9Å; S57-V59 VanDerWaalsContact C-N 3.31Å; S57-V59 PolarHBondContact O-N 3.44Å; S57-V60 PolarHBondContact O-N 3.46Å; S57-V61 WeakPolarHBondContact O-CG2 3.35Å; S57-V61 PolarHBondContact O-N 3.49Å; S57-C147 WeakPolarHBondContact OG-CB 3.42Å; S57-E148 WeakPolarHBondContact CB-OE2 3.22Å; S57-E148 WeakPolarHBondContact OG-CB 3.49Å; S57-E148 PolarHBondContact OG-OE2 2.92Å; S57-E148 VanDerWaalsContact OG-OE2 3.13Å |
| 58 | S | 86.9 | Confident | 88.3 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.5 | -46.2 | 177.5 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | M54 V55 V60 V61 Q62 | M54-S58 VanDerWaalsContact O-CB 3.27Å; M54-S58 WeakPolarHBondContact O-CB 3.43Å; M54-S58 PolarHBondContact O-N 3.03Å; V55-S58 PolarHBondContact O-N 2.81Å; S58-V60 PolarHBondContact O-N 3.25Å; S58-V61 PolarHBondContact O-N 2.77Å; S58-Q62 VanDerWaalsContact O-CB 3.3Å; S58-Q62 WeakPolarHBondContact O-CB 3.47Å; S58-Q62 WeakPolarHBondContact O-CG 3.4Å; S58-Q62 PolarHBondContact O-N 3.05Å |
| 59 | V | 88.4 | Confident | 87.6 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 39% | 0.394 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.1 | -47 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | V55 L56 S57 Q62 M63 | V55-V59 VanDerWaalsContact O-CG2 3.32Å; V55-V59 WeakPolarHBondContact O-CG2 3.32Å; V55-V59 PolarHBondContact O-N 3.03Å; L56-V59 PolarHBondContact O-N 3.45Å; S57-V59 VanDerWaalsContact C-N 3.31Å; S57-V59 PolarHBondContact O-N 3.44Å; V59-Q62 PolarHBondContact O-N 3.27Å; V59-M63 HydrophobicContact CG1-CG 4.44Å; V59-M63 HydrophobicContact CG1-SD 4.09Å; V59-M63 VanDerWaalsContact O-CG 3.27Å; V59-M63 WeakPolarHBondContact O-CG 3.32Å; V59-M63 PolarHBondContact O-N 2.96Å |
| 60 | V | 90.6 | Very high | 87.2 | Confident | 20 Ų | 20 | 37.1 Ų | 37.1 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -50.8 | 178.9 | 172.4 | 0 | 0 | 0 | 0 | 111 | L56 S57 S58 Q62 M63 F64 I143 | L56-V60 WeakPolarHBondContact O-CG2 3.33Å; L56-V60 PolarHBondContact O-N 2.9Å; S57-V60 PolarHBondContact O-N 3.46Å; S58-V60 PolarHBondContact O-N 3.25Å; V60-Q62 VanDerWaalsContact C-N 3.32Å; V60-Q62 PolarHBondContact O-N 2.89Å; V60-M63 WeakPolarHBondContact O-CB 3.49Å; V60-M63 PolarHBondContact O-N 3.49Å; V60-F64 HydrophobicContact CG1-CD2 3.89Å; V60-F64 HydrophobicContact CG1-CE2 3.67Å; V60-F64 VanDerWaalsContact O-CD2 3.25Å; V60-F64 WeakPolarHBondContact O-CD2 3.27Å; V60-F64 PolarHBondContact O-N 3.21Å; V60-I143 HydrophobicContact CG1-CG2 3.98Å |
| 61 | V | 87.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 179.6 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | S57 S58 F64 S65 F105 L140 I143 E144 | S57-V61 WeakPolarHBondContact O-CG2 3.35Å; S57-V61 PolarHBondContact O-N 3.49Å; S58-V61 PolarHBondContact O-N 2.77Å; V61-F64 PolarHBondContact O-N 2.89Å; V61-S65 WeakPolarHBondContact O-CB 3.48Å; V61-S65 PolarHBondContact O-N 2.99Å; V61-F105 HydrophobicContact CG1-CB 4.26Å; V61-F105 HydrophobicContact CG1-CD1 4.37Å; V61-F105 HydrophobicContact CG1-CD2 3.44Å; V61-F105 VanDerWaalsContact CG1-CD2 3.44Å; V61-F105 HydrophobicContact CG1-CE2 3.78Å; V61-F105 HydrophobicContact CG1-CG 3.78Å; V61-F105 HydrophobicContact CG1-CZ 4.36Å; V61-L140 HydrophobicContact CG1-CD2 4.3Å; V61-I143 HydrophobicContact CG2-CG2 4.27Å; V61-E144 HydrophobicContact CG2-CB 3.74Å; V61-E144 HydrophobicContact CG2-CG 4.3Å |
| 62 | Q | 86 | Confident | 86.3 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.9 | -35.1 | 177.3 | -66.6 | -69.2 | 18.8 | 0 | 0 | 112.4 | S58 V59 V60 S65 W66 H99 Q102 F105 | S58-Q62 VanDerWaalsContact O-CB 3.3Å; S58-Q62 WeakPolarHBondContact O-CB 3.47Å; S58-Q62 WeakPolarHBondContact O-CG 3.4Å; S58-Q62 PolarHBondContact O-N 3.05Å; V59-Q62 PolarHBondContact O-N 3.27Å; V60-Q62 VanDerWaalsContact C-N 3.32Å; V60-Q62 PolarHBondContact O-N 2.89Å; Q62-S65 PolarHBondContact O-N 3.43Å; Q62-W66 VanDerWaalsContact O-CB 3.23Å; Q62-W66 WeakPolarHBondContact O-CB 3.25Å; Q62-W66 PolarHBondContact O-N 3.37Å; Q62-H99 PolarHBondContact O-CD2 3.39Å; Q62-H99 PolarHBondContact OE1-CD2 3.34Å; Q62-Q102 PolarHBondContact NE2-O 2.9Å; Q62-F105 VanDerWaalsContact NE2-N 3.11Å |
| 63 | M | 87.4 | Confident | 85.6 | Confident | 78 Ų | 78 | 36.2 Ų | 36.2 | 38% | 0.384 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 172.9 | -73.2 | 177.4 | 74.4 | 0 | 0 | 111.4 | V59 V60 W66 F67 L267 | V59-M63 HydrophobicContact CG1-CG 4.44Å; V59-M63 HydrophobicContact CG1-SD 4.09Å; V59-M63 VanDerWaalsContact O-CG 3.27Å; V59-M63 WeakPolarHBondContact O-CG 3.32Å; V59-M63 PolarHBondContact O-N 2.96Å; V60-M63 WeakPolarHBondContact O-CB 3.49Å; V60-M63 PolarHBondContact O-N 3.49Å; M63-W66 PolarHBondContact O-N 2.98Å; M63-F67 HydrophobicContact CB-CE2 4.48Å; M63-F67 HydrophobicContact CE-CE2 4.3Å; M63-F67 WeakPolarHBondContact O-CD2 3.32Å; M63-F67 WeakPolarHBondContact O-CG 3.27Å; M63-F67 PolarHBondContact O-N 2.98Å; M63-L267 HydrophobicContact CB-CD2 3.66Å; M63-L267 HydrophobicContact CE-CD1 4.44Å; M63-L267 HydrophobicContact CE-CD2 4.13Å; M63-L267 HydrophobicContact SD-CD2 4.5Å |
| 64 | F | 87.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 174 | -80.9 | -77.1 | 0 | 0 | 0 | 111.8 | V60 V61 W66 F67 W68 L140 I143 M259 L267 Y268 T271 | V60-F64 HydrophobicContact CG1-CD2 3.89Å; V60-F64 HydrophobicContact CG1-CE2 3.67Å; V60-F64 VanDerWaalsContact O-CD2 3.25Å; V60-F64 WeakPolarHBondContact O-CD2 3.27Å; V60-F64 PolarHBondContact O-N 3.21Å; V61-F64 PolarHBondContact O-N 2.89Å; F64-W66 VanDerWaalsContact C-N 3.28Å; F64-W66 PolarHBondContact O-N 3.43Å; F64-F67 PolarHBondContact O-N 2.9Å; F64-W68 HydrophobicContact CB-CZ2 4.49Å; F64-W68 AromaticContact CD1-CZ2 3.99Å; F64-W68 HydrophobicContact CD1-CZ2 3.99Å; F64-W68 VanDerWaalsContact O-CG 3.32Å; F64-W68 PolarHBondContact O-N 3.31Å; F64-L140 HydrophobicContact CB-CD2 3.56Å; F64-I143 HydrophobicContact CD1-CD1 4.04Å; F64-I143 HydrophobicContact CD2-CD1 3.82Å; F64-I143 HydrophobicContact CD2-CG2 4.07Å; F64-I143 HydrophobicContact CE1-CD1 4.1Å; F64-I143 HydrophobicContact CE2-CD1 3.88Å; F64-I143 HydrophobicContact CE2-CG2 4.04Å; F64-I143 HydrophobicContact CG-CD1 3.92Å; F64-I143 HydrophobicContact CZ-CD1 4.03Å; F64-M259 HydrophobicContact CD1-CE 3.4Å; F64-M259 HydrophobicContact CD1-SD 4.46Å; F64-M259 HydrophobicContact CE1-CE 3.66Å; F64-M259 HydrophobicContact CG-CE 4.45Å; F64-L267 HydrophobicContact CD2-CD2 4.04Å; F64-L267 HydrophobicContact CD2-CG 4.49Å; F64-L267 HydrophobicContact CE1-CD2 4.4Å; F64-L267 HydrophobicContact CE1-CG 4.49Å; F64-L267 HydrophobicContact CE2-CD1 4.47Å; F64-L267 HydrophobicContact CE2-CD2 3.88Å; F64-L267 HydrophobicContact CE2-CG 3.84Å; F64-L267 HydrophobicContact CG-CD2 4.34Å; F64-L267 HydrophobicContact CZ-CD2 4.07Å; F64-L267 HydrophobicContact CZ-CG 3.83Å; F64-Y268 HydrophobicContact CE1-CD2 4.27Å; F64-T271 HydrophobicContact CE2-CG2 4.03Å; F64-T271 WeakPolarHBondContact CE2-OG1 3.46Å; F64-T271 HydrophobicContact CZ-CG2 4.21Å |
| 65 | S | 84.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -42.1 | 178.3 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | V61 Q62 F69 H99 | V61-S65 WeakPolarHBondContact O-CB 3.48Å; V61-S65 PolarHBondContact O-N 2.99Å; Q62-S65 PolarHBondContact O-N 3.43Å; S65-F69 VanDerWaalsContact O-CB 3.26Å; S65-F69 WeakPolarHBondContact O-CB 3.48Å; S65-F69 PolarHBondContact O-N 3.23Å; S65-H99 PolarHBondContact OG-NE2 3.22Å |
| 66 | W | 83.4 | Confident | 83.5 | Confident | 53 Ų | 53 | 48 Ų | 48 | 20% | 0.201 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -46.8 | 177.3 | 174.4 | -107.8 | 0 | 0 | 0 | 112.8 | Q62 M63 F64 W68 F69 K70 V92 F96 | Q62-W66 VanDerWaalsContact O-CB 3.23Å; Q62-W66 WeakPolarHBondContact O-CB 3.25Å; Q62-W66 PolarHBondContact O-N 3.37Å; M63-W66 PolarHBondContact O-N 2.98Å; F64-W66 VanDerWaalsContact C-N 3.28Å; F64-W66 PolarHBondContact O-N 3.43Å; W66-W68 VanDerWaalsContact C-N 3.33Å; W66-W68 PolarHBondContact O-N 3.42Å; W66-F69 HydrophobicContact CE3-CD1 4.14Å; W66-F69 AromaticContact CZ3-CD1 3.86Å; W66-F69 HydrophobicContact CZ3-CD1 3.86Å; W66-F69 HydrophobicContact CZ3-CE1 4.2Å; W66-F69 PolarHBondContact O-N 3.41Å; W66-K70 PolarHBondContact O-N 2.71Å; W66-V92 HydrophobicContact CH2-CG1 3.86Å; W66-F96 HydrophobicContact CD2-CD2 4.25Å; W66-F96 AromaticContact CE2-CD2 3.89Å; W66-F96 HydrophobicContact CE3-CB 4.5Å; W66-F96 HydrophobicContact CE3-CD2 4.36Å; W66-F96 HydrophobicContact CH2-CB 3.61Å; W66-F96 AromaticContact CH2-CD2 3.84Å; W66-F96 HydrophobicContact CH2-CD2 3.84Å; W66-F96 HydrophobicContact CH2-CG 4.17Å; W66-F96 HydrophobicContact CZ2-CB 4.32Å; W66-F96 AromaticContact CZ2-CD2 3.68Å; W66-F96 HydrophobicContact CZ2-CD2 3.68Å; W66-F96 HydrophobicContact CZ2-CG 4.41Å; W66-F96 HydrophobicContact CZ3-CB 3.71Å; W66-F96 HydrophobicContact CZ3-CD2 4.18Å; W66-F96 HydrophobicContact CZ3-CG 4.47Å |
| 67 | F | 85.6 | Confident | 82.4 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 178 | -78.7 | -51.9 | 0 | 0 | 0 | 111.2 | M63 F64 K70 Y71 M259 L267 | M63-F67 HydrophobicContact CB-CE2 4.48Å; M63-F67 HydrophobicContact CE-CE2 4.3Å; M63-F67 WeakPolarHBondContact O-CD2 3.32Å; M63-F67 WeakPolarHBondContact O-CG 3.27Å; M63-F67 PolarHBondContact O-N 2.98Å; F64-F67 PolarHBondContact O-N 2.9Å; F67-K70 WeakPolarHBondContact O-CB 3.44Å; F67-K70 PolarHBondContact O-N 2.97Å; F67-Y71 HydrophobicContact CB-CE2 3.86Å; F67-Y71 WeakPolarHBondContact O-CD2 3.39Å; F67-Y71 PolarHBondContact O-N 2.87Å; F67-M259 HydrophobicContact CB-CE 3.89Å; F67-M259 HydrophobicContact CD2-CE 4.08Å; F67-M259 HydrophobicContact CG-CE 4.32Å; F67-L267 HydrophobicContact CD2-CD2 4.19Å; F67-L267 HydrophobicContact CE2-CD2 4.04Å |
| 68 | W | 83.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 176.6 | -62.6 | -15.3 | 0 | 0 | 0 | 112 | F64 W66 K70 Y71 D72 D136 M139 L140 F258 M259 | F64-W68 HydrophobicContact CB-CZ2 4.49Å; F64-W68 AromaticContact CD1-CZ2 3.99Å; F64-W68 HydrophobicContact CD1-CZ2 3.99Å; F64-W68 VanDerWaalsContact O-CG 3.32Å; F64-W68 PolarHBondContact O-N 3.31Å; W66-W68 VanDerWaalsContact C-N 3.33Å; W66-W68 PolarHBondContact O-N 3.42Å; W68-K70 PolarHBondContact O-N 2.83Å; W68-Y71 PolarHBondContact O-N 3.4Å; W68-D72 WeakPolarHBondContact O-CB 3.3Å; W68-D72 PolarHBondContact O-N 3.37Å; W68-D72 VanDerWaalsContact O-OD1 3.09Å; W68-D136 VanDerWaalsContact CE3-OD2 3.31Å; W68-D136 HydrophobicContact CZ3-CB 4.43Å; W68-D136 VanDerWaalsContact CZ3-O 3.32Å; W68-D136 WeakPolarHBondContact CZ3-O 3.18Å; W68-M139 HydrophobicContact CH2-CB 3.87Å; W68-M139 HydrophobicContact CH2-CG 3.65Å; W68-M139 HydrophobicContact CZ2-CG 4.22Å; W68-M139 HydrophobicContact CZ3-CB 4.48Å; W68-L140 HydrophobicContact CE3-CD1 4.3Å; W68-L140 HydrophobicContact CE3-CD2 4.1Å; W68-L140 HydrophobicContact CE3-CG 4.11Å; W68-L140 HydrophobicContact CH2-CD2 3.87Å; W68-L140 HydrophobicContact CH2-CG 3.99Å; W68-L140 HydrophobicContact CZ3-CD1 4.02Å; W68-L140 HydrophobicContact CZ3-CD2 3.6Å; W68-L140 HydrophobicContact CZ3-CG 3.42Å; W68-L140 VanDerWaalsContact CZ3-CG 3.42Å; W68-F258 AromaticContact CZ2-CE1 3.83Å; W68-F258 HydrophobicContact CZ2-CE1 3.83Å; W68-F258 AromaticContact CZ2-CZ 3.98Å; W68-F258 HydrophobicContact CZ2-CZ 3.98Å; W68-M259 PolarHBondContact NE1-SD 3.22Å |
| 69 | F | 78.1 | Confident | 80.4 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.9 | -38.3 | 173.1 | 178.7 | -99.3 | 0 | 0 | 0 | 112.3 | S65 W66 R73 T82 S95 | S65-F69 VanDerWaalsContact O-CB 3.26Å; S65-F69 WeakPolarHBondContact O-CB 3.48Å; S65-F69 PolarHBondContact O-N 3.23Å; W66-F69 HydrophobicContact CE3-CD1 4.14Å; W66-F69 AromaticContact CZ3-CD1 3.86Å; W66-F69 HydrophobicContact CZ3-CD1 3.86Å; W66-F69 HydrophobicContact CZ3-CE1 4.2Å; W66-F69 PolarHBondContact O-N 3.41Å; F69-R73 HydrophobicContact CZ-CG 4.5Å; F69-R73 VanDerWaalsContact O-CG 3.32Å; F69-R73 WeakPolarHBondContact O-CG 3.37Å; F69-R73 PolarHBondContact O-N 3.48Å; F69-T82 HydrophobicContact CE2-CG2 3.99Å; F69-S95 WeakPolarHBondContact CE1-OG 3.25Å; F69-S95 WeakPolarHBondContact CZ-OG 3.46Å |
| 70 | K | 81.7 | Confident | 79.4 | Confident | 105 Ų | 105 | 51 Ų | 51 | 46% | 0.457 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.2 | -52.3 | 176.4 | -170.2 | -168 | 170.3 | -165.1 | 0 | 111.7 | W66 F67 W68 D72 R73 | W66-K70 PolarHBondContact O-N 2.71Å; F67-K70 WeakPolarHBondContact O-CB 3.44Å; F67-K70 PolarHBondContact O-N 2.97Å; W68-K70 PolarHBondContact O-N 2.83Å; K70-D72 VanDerWaalsContact C-N 3.31Å; K70-D72 PolarHBondContact O-N 2.82Å; K70-R73 PolarHBondContact O-N 3.22Å |
| 71 | Y | 82.6 | Confident | 78.2 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -40.2 | -178.4 | -54 | -32.4 | 0 | 0 | 0 | 111.8 | F67 W68 R73 E74 M259 D260 S261 | F67-Y71 HydrophobicContact CB-CE2 3.86Å; F67-Y71 WeakPolarHBondContact O-CD2 3.39Å; F67-Y71 PolarHBondContact O-N 2.87Å; W68-Y71 PolarHBondContact O-N 3.4Å; Y71-R73 VanDerWaalsContact C-N 3.26Å; Y71-R73 PolarHBondContact O-N 2.94Å; Y71-E74 WeakPolarHBondContact O-CB 3.14Å; Y71-E74 PolarHBondContact O-N 3.41Å; Y71-M259 HydrophobicContact CE2-CB 4.42Å; Y71-M259 HydrophobicContact CE2-SD 4.09Å; Y71-D260 HydrophobicContact CD1-CB 4.08Å; Y71-D260 HydrophobicContact CD2-CB 4.41Å; Y71-D260 HydrophobicContact CE1-CB 4.05Å; Y71-D260 HydrophobicContact CE2-CB 4.37Å; Y71-D260 HydrophobicContact CG-CB 4.29Å; Y71-S261 VanDerWaalsContact OH-CB 3.27Å; Y71-S261 WeakPolarHBondContact OH-CB 3.4Å; Y71-S261 PolarHBondContact OH-N 3.22Å; Y71-S261 PolarHBondContact OH-OG 3.26Å |
| 72 | D | 79.5 | Confident | 77.2 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.9 | -29.7 | -176.4 | -62 | -3.1 | 0 | 0 | 0 | 111.3 | W68 K70 E74 L75 F78 Y132 R390 | W68-D72 WeakPolarHBondContact O-CB 3.3Å; W68-D72 PolarHBondContact O-N 3.37Å; W68-D72 VanDerWaalsContact O-OD1 3.09Å; K70-D72 VanDerWaalsContact C-N 3.31Å; K70-D72 PolarHBondContact O-N 2.82Å; D72-E74 VanDerWaalsContact C-N 3.28Å; D72-E74 PolarHBondContact O-N 2.85Å; D72-L75 WeakPolarHBondContact O-CB 3.25Å; D72-L75 PolarHBondContact O-N 2.92Å; D72-F78 HydrophobicContact CB-CD1 3.89Å; D72-F78 HydrophobicContact CB-CE1 3.83Å; D72-F78 WeakPolarHBondContact O-CB 3.36Å; D72-F78 WeakPolarHBondContact O-CG 3.29Å; D72-Y132 PolarHBondContact OD1-OH 3.43Å; D72-Y132 WeakPolarHBondContact OD2-CE1 3.4Å; D72-Y132 PolarHBondContact OD2-OH 2.81Å; D72-R390 IonicContact OD1-CZ 3.04Å; D72-R390 IonicContact OD1-NH1 2.99Å; D72-R390 PolarHBondContact OD1-NH1 2.89Å; D72-R390 IonicContact OD1-NH2 2.99Å; D72-R390 PolarHBondContact OD1-NH2 3.39Å; D72-R390 IonicContact OD2-NH2 2.91Å; D72-R390 PolarHBondContact OD2-NH2 3.23Å |
| 73 | R | 75.2 | Confident | 76.1 | Confident | 59 Ų | 59 | 55 Ų | 55 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71 | -21.5 | 173.9 | -76.4 | 179.8 | 65.2 | 117.3 | 13.3 | 114 | F69 K70 Y71 D79 G89 | F69-R73 HydrophobicContact CZ-CG 4.5Å; F69-R73 VanDerWaalsContact O-CG 3.32Å; F69-R73 WeakPolarHBondContact O-CG 3.37Å; F69-R73 PolarHBondContact O-N 3.48Å; K70-R73 PolarHBondContact O-N 3.22Å; Y71-R73 VanDerWaalsContact C-N 3.26Å; Y71-R73 PolarHBondContact O-N 2.94Å; R73-D79 IonicContact CZ-OD1 3.9Å; R73-D79 IonicContact CZ-OD2 3.03Å; R73-D79 IonicContact NE-OD1 3.83Å; R73-D79 PolarHBondContact NE-OD1 3.49Å; R73-D79 IonicContact NH1-OD1 3.71Å; R73-D79 PolarHBondContact NH1-OD1 2.94Å; R73-D79 IonicContact NH2-OD1 3.35Å; R73-D79 PolarHBondContact NH2-OD1 3.12Å; R73-D79 IonicContact NH2-OD2 3.72Å; R73-D79 PolarHBondContact NH2-OD2 3.43Å; R73-G89 PolarHBondContact NH1-O 3.4Å |
| 74 | E | 77.3 | Confident | 75.1 | Confident | 133 Ų | 133 | 59.4 Ų | 59.4 | 62% | 0.621 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.9 | 176 | -63.8 | 172.3 | -171.9 | 0 | 0 | 111.2 | Y71 D72 | Y71-E74 WeakPolarHBondContact O-CB 3.14Å; Y71-E74 PolarHBondContact O-N 3.41Å; D72-E74 VanDerWaalsContact C-N 3.28Å; D72-E74 PolarHBondContact O-N 2.85Å |
| 75 | L | 76.8 | Confident | 73.9 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -78 | 135.1 | 174.9 | -61.1 | 170.4 | 0 | 0 | 0 | 111.9 | D72 G77 F78 | D72-L75 WeakPolarHBondContact O-CB 3.25Å; D72-L75 PolarHBondContact O-N 2.92Å; L75-G77 PolarHBondContact O-N 2.97Å; L75-F78 HydrophobicContact CB-CB 3.88Å; L75-F78 HydrophobicContact CB-CD2 4.19Å; L75-F78 HydrophobicContact CB-CG 4.31Å; L75-F78 HydrophobicContact CD1-CD2 3.93Å; L75-F78 HydrophobicContact CD1-CE2 4.28Å; L75-F78 HydrophobicContact CD1-CG 4.47Å; L75-F78 WeakPolarHBondContact O-CB 3.44Å; L75-F78 PolarHBondContact O-N 2.84Å; L75-F78 VanDerWaalsContact O-N 3.17Å |
| 76 | E | 68.6 | Low | 73 | Confident | 184 Ų | 184 | 61.4 Ų | 61.4 | 86% | 0.86 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 127.6 | 179.3 | -66.2 | -172.1 | 166.3 | 0 | 0 | 112.3 | F78 | E76-F78 PolarHBondContact O-N 3.38Š|
| 77 | G | 67.8 | Low | 71.9 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -5.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L75 Q81 | L75-G77 PolarHBondContact O-N 2.97Å; G77-Q81 PolarHBondContact O-N 3.49Å |
| 78 | F | 69.6 | Low | 70.6 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.6 | -31.4 | -178.9 | -141.8 | -82.9 | 0 | 0 | 0 | 112.7 | D72 L75 E76 Q81 T82 Y129 Y132 F386 | D72-F78 HydrophobicContact CB-CD1 3.89Å; D72-F78 HydrophobicContact CB-CE1 3.83Å; D72-F78 WeakPolarHBondContact O-CB 3.36Å; D72-F78 WeakPolarHBondContact O-CG 3.29Å; L75-F78 HydrophobicContact CB-CB 3.88Å; L75-F78 HydrophobicContact CB-CD2 4.19Å; L75-F78 HydrophobicContact CB-CG 4.31Å; L75-F78 HydrophobicContact CD1-CD2 3.93Å; L75-F78 HydrophobicContact CD1-CE2 4.28Å; L75-F78 HydrophobicContact CD1-CG 4.47Å; L75-F78 WeakPolarHBondContact O-CB 3.44Å; L75-F78 PolarHBondContact O-N 2.84Å; L75-F78 VanDerWaalsContact O-N 3.17Å; E76-F78 PolarHBondContact O-N 3.38Å; F78-Q81 PolarHBondContact O-N 3.1Å; F78-T82 WeakPolarHBondContact CD1-OG1 3.48Å; F78-T82 WeakPolarHBondContact O-CB 3.48Å; F78-T82 PolarHBondContact O-N 2.89Å; F78-T82 PolarHBondContact O-OG1 3.49Å; F78-Y129 HydrophobicContact CD1-CE2 4.06Å; F78-Y129 HydrophobicContact CE1-CD2 4.08Å; F78-Y129 AromaticContact CE1-CE2 3.46Å; F78-Y129 HydrophobicContact CE1-CE2 3.46Å; F78-Y129 VanDerWaalsContact CE1-CE2 3.46Å; F78-Y129 HydrophobicContact CE2-CD2 4.32Å; F78-Y129 HydrophobicContact CE2-CE2 4.48Å; F78-Y129 AromaticContact CZ-CD2 3.82Å; F78-Y129 HydrophobicContact CZ-CD2 3.82Å; F78-Y129 AromaticContact CZ-CE2 3.67Å; F78-Y129 HydrophobicContact CZ-CE2 3.67Å; F78-Y132 HydrophobicContact CE1-CE1 4.3Å; F78-Y132 HydrophobicContact CE2-CD1 4.3Å; F78-Y132 HydrophobicContact CE2-CD2 4.33Å; F78-Y132 HydrophobicContact CE2-CE1 4.26Å; F78-Y132 HydrophobicContact CE2-CE2 4.25Å; F78-Y132 HydrophobicContact CE2-CG 4.36Å; F78-Y132 AromaticContact CZ-CD1 3.59Å; F78-Y132 HydrophobicContact CZ-CD1 3.59Å; F78-Y132 HydrophobicContact CZ-CD2 4.4Å; F78-Y132 AromaticContact CZ-CE1 3.55Å; F78-Y132 HydrophobicContact CZ-CE1 3.55Å; F78-Y132 HydrophobicContact CZ-CE2 4.33Å; F78-Y132 HydrophobicContact CZ-CG 4.05Å; F78-Y132 AromaticContact CZ-CZ 3.94Å; F78-F386 HydrophobicContact CB-CE1 4.09Å; F78-F386 HydrophobicContact CD2-CB 4.5Å; F78-F386 AromaticContact CD2-CD1 3.11Å; F78-F386 HydrophobicContact CD2-CD1 3.11Å; F78-F386 HydrophobicContact CD2-CD2 4.43Å; F78-F386 AromaticContact CD2-CE1 3.17Å; F78-F386 HydrophobicContact CD2-CE1 3.17Å; F78-F386 HydrophobicContact CD2-CE2 4.48Å; F78-F386 AromaticContact CD2-CG 3.78Å; F78-F386 HydrophobicContact CD2-CG 3.78Å; F78-F386 AromaticContact CD2-CZ 3.9Å; F78-F386 HydrophobicContact CD2-CZ 3.9Å; F78-F386 HydrophobicContact CE2-CB 3.84Å; F78-F386 AromaticContact CE2-CD1 3.32Å; F78-F386 HydrophobicContact CE2-CD1 3.32Å; F78-F386 HydrophobicContact CE2-CD2 4.15Å; F78-F386 AromaticContact CE2-CE1 3.83Å; F78-F386 HydrophobicContact CE2-CE1 3.83Å; F78-F386 AromaticContact CE2-CG 3.49Å; F78-F386 HydrophobicContact CE2-CG 3.49Å; F78-F386 VanDerWaalsContact CE2-CG 3.49Å; F78-F386 HydrophobicContact CE2-CZ 4.42Å; F78-F386 HydrophobicContact CG-CD1 4.28Å; F78-F386 AromaticContact CG-CE1 3.97Å; F78-F386 HydrophobicContact CG-CE1 3.97Å; F78-F386 HydrophobicContact CG-CZ 4.45Å |
| 79 | D | 67.2 | Low | 69.5 | Low | 60 Ų | 60 | 66.6 Ų | 66.6 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 179.9 | -161.9 | 31.9 | 0 | 0 | 0 | 111.5 | R73 Q81 T82 A83 | R73-D79 IonicContact CZ-OD1 3.9Å; R73-D79 IonicContact CZ-OD2 3.03Å; R73-D79 IonicContact NE-OD1 3.83Å; R73-D79 PolarHBondContact NE-OD1 3.49Å; R73-D79 IonicContact NH1-OD1 3.71Å; R73-D79 PolarHBondContact NH1-OD1 2.94Å; R73-D79 IonicContact NH2-OD1 3.35Å; R73-D79 PolarHBondContact NH2-OD1 3.12Å; R73-D79 IonicContact NH2-OD2 3.72Å; R73-D79 PolarHBondContact NH2-OD2 3.43Å; D79-Q81 PolarHBondContact O-N 3.27Å; D79-T82 PolarHBondContact O-N 3.11Å; D79-A83 VanDerWaalsContact O-CB 3.27Å; D79-A83 WeakPolarHBondContact O-CB 3.21Å; D79-A83 PolarHBondContact O-N 2.93Å |
| 80 | E | 67.3 | Low | 68.7 | Low | 160 Ų | 160 | 67.9 Ų | 67.9 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 174.9 | -66.6 | -172.3 | 170.3 | 0 | 0 | 111.9 | T82 K84 | E80-T82 VanDerWaalsContact C-N 3.33Å; E80-T82 PolarHBondContact O-N 2.84Å; E80-K84 WeakPolarHBondContact O-CB 3.45Å; E80-K84 PolarHBondContact O-N 3.44Å; E80-K84 VanDerWaalsContact O-N 3.11Å |
| 81 | Q | 65.7 | Low | 68.2 | Low | 57 Ų | 57 | 65.8 Ų | 65.8 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 178.4 | -159.3 | 87.7 | -3.5 | 0 | 0 | 111.3 | G77 F78 D79 N85 Y129 F386 | G77-Q81 PolarHBondContact O-N 3.49Å; F78-Q81 PolarHBondContact O-N 3.1Å; D79-Q81 PolarHBondContact O-N 3.27Å; Q81-N85 VanDerWaalsContact O-CB 3.27Å; Q81-N85 WeakPolarHBondContact O-CB 3.34Å; Q81-N85 PolarHBondContact O-N 3.47Å; Q81-N85 VanDerWaalsContact O-N 3.1Å; Q81-N85 PolarHBondContact O-ND2 3.06Å; Q81-Y129 HydrophobicContact CB-CD2 4.28Å; Q81-Y129 HydrophobicContact CB-CE2 4.27Å; Q81-Y129 HydrophobicContact CG-CD1 4.35Å; Q81-Y129 HydrophobicContact CG-CD2 3.57Å; Q81-Y129 HydrophobicContact CG-CE2 3.94Å; Q81-Y129 HydrophobicContact CG-CG 3.78Å; Q81-F386 HydrophobicContact CB-CE2 4.48Å; Q81-F386 HydrophobicContact CB-CZ 4.39Å; Q81-F386 HydrophobicContact CG-CE2 4.06Å; Q81-F386 HydrophobicContact CG-CZ 4.46Å |
| 82 | T | 64.6 | Low | 67.7 | Low | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -74.1 | -43.6 | 179.9 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | F69 F78 D79 E80 K84 N85 V86 Y129 | F69-T82 HydrophobicContact CE2-CG2 3.99Å; F78-T82 WeakPolarHBondContact CD1-OG1 3.48Å; F78-T82 WeakPolarHBondContact O-CB 3.48Å; F78-T82 PolarHBondContact O-N 2.89Å; F78-T82 PolarHBondContact O-OG1 3.49Å; D79-T82 PolarHBondContact O-N 3.11Å; E80-T82 VanDerWaalsContact C-N 3.33Å; E80-T82 PolarHBondContact O-N 2.84Å; T82-K84 PolarHBondContact O-N 3.25Å; T82-N85 PolarHBondContact O-N 2.86Å; T82-V86 HydrophobicContact CG2-CB 4.12Å; T82-V86 HydrophobicContact CG2-CG2 4.02Å; T82-V86 WeakPolarHBondContact O-CB 3.26Å; T82-V86 PolarHBondContact O-N 3.25Å; T82-Y129 PolarHBondContact OG1-OH 2.99Å |
| 83 | A | 63.6 | Low | 67.5 | Low | 51 Ų | 51 | 76.4 Ų | 76.4 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.4 | -34 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D79 | D79-A83 VanDerWaalsContact O-CB 3.27Å; D79-A83 WeakPolarHBondContact O-CB 3.21Å; D79-A83 PolarHBondContact O-N 2.93Å |
| 84 | K | 66.4 | Low | 67.4 | Low | 171 Ų | 171 | 76.7 Ų | 76.7 | 74% | 0.743 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -80.4 | -32.1 | 179.7 | -171.4 | 174.5 | -178.5 | 177.7 | 0 | 114.1 | E80 T82 | E80-K84 WeakPolarHBondContact O-CB 3.45Å; E80-K84 PolarHBondContact O-N 3.44Å; E80-K84 VanDerWaalsContact O-N 3.11Å; T82-K84 PolarHBondContact O-N 3.25Å |
| 85 | N | 63.5 | Low | 67.1 | Low | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.102 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -113.4 | -23.1 | -167.1 | -63.4 | -51.8 | 0 | 0 | 0 | 114.5 | Q81 T82 Q115 R118 Y129 | Q81-N85 VanDerWaalsContact O-CB 3.27Å; Q81-N85 WeakPolarHBondContact O-CB 3.34Å; Q81-N85 PolarHBondContact O-N 3.47Å; Q81-N85 VanDerWaalsContact O-N 3.1Å; Q81-N85 PolarHBondContact O-ND2 3.06Å; T82-N85 PolarHBondContact O-N 2.86Å; N85-Q115 HydrophobicContact CB-CG 4.39Å; N85-Q115 PolarHBondContact O-NE2 2.89Å; N85-R118 PolarHBondContact OD1-NH1 3.31Å; N85-R118 PolarHBondContact OD1-NH2 3.32Å; N85-Y129 HydrophobicContact CB-CE1 3.98Å |
| 86 | V | 64.6 | Low | 67 | Low | 23 Ų | 23 | 72 Ų | 72 | 14% | 0.139 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -99.4 | 132.1 | 179.8 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | T82 F88 G89 Y129 | T82-V86 HydrophobicContact CG2-CB 4.12Å; T82-V86 HydrophobicContact CG2-CG2 4.02Å; T82-V86 WeakPolarHBondContact O-CB 3.26Å; T82-V86 PolarHBondContact O-N 3.25Å; V86-F88 PolarHBondContact O-N 3.38Å; V86-F88 VanDerWaalsContact O-N 3.11Å; V86-G89 PolarHBondContact O-N 3.17Å; V86-Y129 VanDerWaalsContact CG2-OH 3.22Å; V86-Y129 WeakPolarHBondContact CG2-OH 3.39Å |
| 87 | L | 60.7 | Low | 67.3 | Low | 89 Ų | 89 | 67.4 Ų | 67.4 | 47% | 0.466 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 117.6 | 173.3 | -108.4 | 147.9 | 0 | 0 | 0 | 109.4 | G89 I110 S111 | L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 2.9Å; L87-I110 HydrophobicContact CD1-CG2 4.46Å; L87-S111 PolarHBondContact N-OG 3.07Å; L87-S111 VanDerWaalsContact N-OG 3.16Å |
| 88 | F | 59.3 | Low | 67.7 | Low | 111 Ų | 111 | 66.6 Ų | 66.6 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 15.4 | -177.9 | -47.6 | -72.1 | 0 | 0 | 0 | 116.2 | V86 G90 C91 L94 L98 | V86-F88 PolarHBondContact O-N 3.38Å; V86-F88 VanDerWaalsContact O-N 3.11Å; F88-G90 VanDerWaalsContact C-N 3.27Å; F88-G90 PolarHBondContact O-N 3.05Å; F88-C91 PolarHBondContact O-N 3.04Å; F88-L94 HydrophobicContact CB-CD2 3.92Å; F88-L94 HydrophobicContact CB-CG 4.37Å; F88-L94 HydrophobicContact CD1-CD2 3.56Å; F88-L94 HydrophobicContact CE1-CD2 4.38Å; F88-L94 HydrophobicContact CG-CD2 3.98Å; F88-L98 HydrophobicContact CB-CD1 3.93Å; F88-L98 HydrophobicContact CD2-CD1 3.86Å; F88-L98 HydrophobicContact CG-CD1 4.12Å |
| 89 | G | 59.3 | Low | 68 | Low | 2 Ų | 2 | 67.3 Ų | 67.3 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R73 V86 L87 C91 | R73-G89 PolarHBondContact NH1-O 3.4Å; V86-G89 PolarHBondContact O-N 3.17Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 2.9Å; G89-C91 PolarHBondContact O-N 3.07Å |
| 90 | G | 61.5 | Low | 68.3 | Low | 49 Ų | 49 | 68.7 Ų | 68.7 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F88 | F88-G90 VanDerWaalsContact C-N 3.27Å; F88-G90 PolarHBondContact O-N 3.05Å |
| 91 | C | 71.4 | Confident | 68.6 | Low | 60 Ų | 60 | 65.9 Ų | 65.9 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | trans | -114.9 | 106.1 | -175.4 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | F88 G89 K93 L94 S95 | F88-C91 PolarHBondContact O-N 3.04Å; G89-C91 PolarHBondContact O-N 3.07Å; C91-K93 VanDerWaalsContact C-N 3.28Å; C91-K93 PolarHBondContact O-N 3.22Å; C91-L94 HydrophobicContact CB-CB 3.87Å; C91-L94 PolarHBondContact O-N 3.25Å; C91-L94 VanDerWaalsContact O-N 3.12Å; C91-S95 PolarHBondContact O-N 2.9Å | ||
| 92 | V | 72.9 | Confident | 69 | Low | 64 Ų | 64 | 66.8 Ų | 66.8 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.3 | -42.2 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | W66 L94 S95 F96 | W66-V92 HydrophobicContact CH2-CG1 3.86Å; V92-L94 VanDerWaalsContact C-N 3.35Å; V92-L94 PolarHBondContact O-N 3.44Å; V92-S95 PolarHBondContact O-N 3.38Å; V92-F96 WeakPolarHBondContact O-CB 3.33Å; V92-F96 PolarHBondContact O-N 3.36Å |
| 93 | K | 74.9 | Confident | 69.2 | Low | 179 Ų | 179 | 70.5 Ų | 70.5 | 78% | 0.778 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.9 | -38.9 | -179.8 | -68.8 | -177.2 | -179.7 | 178.5 | 0 | 112.2 | C91 L97 | C91-K93 VanDerWaalsContact C-N 3.28Å; C91-K93 PolarHBondContact O-N 3.22Å; K93-L97 WeakPolarHBondContact O-CB 3.39Å; K93-L97 PolarHBondContact O-N 2.88Å |
| 94 | L | 73.4 | Confident | 69.2 | Low | 65 Ų | 65 | 68.3 Ų | 68.3 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -74 | -40.3 | 178.1 | -172.6 | 61.3 | 0 | 0 | 0 | 111.2 | F88 C91 V92 L97 L98 | F88-L94 HydrophobicContact CB-CD2 3.92Å; F88-L94 HydrophobicContact CB-CG 4.37Å; F88-L94 HydrophobicContact CD1-CD2 3.56Å; F88-L94 HydrophobicContact CE1-CD2 4.38Å; F88-L94 HydrophobicContact CG-CD2 3.98Å; C91-L94 HydrophobicContact CB-CB 3.87Å; C91-L94 PolarHBondContact O-N 3.25Å; C91-L94 VanDerWaalsContact O-N 3.12Å; V92-L94 VanDerWaalsContact C-N 3.35Å; V92-L94 PolarHBondContact O-N 3.44Å; L94-L97 HydrophobicContact CD1-CD2 4.38Å; L94-L97 PolarHBondContact O-N 2.86Å; L94-L98 HydrophobicContact CG-CD1 4.42Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.35Å; L94-L98 PolarHBondContact O-N 3.23Å |
| 95 | S | 70.9 | Confident | 69.3 | Low | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 172.9 | -177 | 0 | 0 | 0 | 0 | 111.5 | F69 C91 V92 L98 H99 | F69-S95 WeakPolarHBondContact CE1-OG 3.25Å; F69-S95 WeakPolarHBondContact CZ-OG 3.46Å; C91-S95 PolarHBondContact O-N 2.9Å; V92-S95 PolarHBondContact O-N 3.38Å; S95-L98 PolarHBondContact O-N 3.07Å; S95-H99 PolarHBondContact O-N 2.96Å; S95-H99 PolarHBondContact O-ND1 3.45Å |
| 96 | F | 73.1 | Confident | 69.5 | Low | 108 Ų | 108 | 64.6 Ų | 64.6 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 173.7 | -179.2 | -105.3 | 0 | 0 | 0 | 111.5 | W66 V92 L98 H99 V100 | W66-F96 HydrophobicContact CD2-CD2 4.25Å; W66-F96 AromaticContact CE2-CD2 3.89Å; W66-F96 HydrophobicContact CE3-CB 4.5Å; W66-F96 HydrophobicContact CE3-CD2 4.36Å; W66-F96 HydrophobicContact CH2-CB 3.61Å; W66-F96 AromaticContact CH2-CD2 3.84Å; W66-F96 HydrophobicContact CH2-CD2 3.84Å; W66-F96 HydrophobicContact CH2-CG 4.17Å; W66-F96 HydrophobicContact CZ2-CB 4.32Å; W66-F96 AromaticContact CZ2-CD2 3.68Å; W66-F96 HydrophobicContact CZ2-CD2 3.68Å; W66-F96 HydrophobicContact CZ2-CG 4.41Å; W66-F96 HydrophobicContact CZ3-CB 3.71Å; W66-F96 HydrophobicContact CZ3-CD2 4.18Å; W66-F96 HydrophobicContact CZ3-CG 4.47Å; V92-F96 WeakPolarHBondContact O-CB 3.33Å; V92-F96 PolarHBondContact O-N 3.36Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 PolarHBondContact O-N 3.41Å; F96-H99 PolarHBondContact O-N 2.87Å; F96-H99 VanDerWaalsContact O-N 3.16Å; F96-V100 HydrophobicContact CD1-CG2 4.16Å; F96-V100 HydrophobicContact CE1-CG2 3.76Å; F96-V100 HydrophobicContact CE2-CG2 4.19Å; F96-V100 HydrophobicContact CZ-CG2 3.78Å; F96-V100 WeakPolarHBondContact O-CG2 3.34Å; F96-V100 PolarHBondContact O-N 3.4Å |
| 97 | L | 76.1 | Confident | 69.5 | Low | 86 Ų | 86 | 64.5 Ų | 64.5 | 45% | 0.45 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 177.1 | -175.3 | 67.6 | 0 | 0 | 0 | 111.7 | K93 L94 H99 V100 L101 | K93-L97 WeakPolarHBondContact O-CB 3.39Å; K93-L97 PolarHBondContact O-N 2.88Å; L94-L97 HydrophobicContact CD1-CD2 4.38Å; L94-L97 PolarHBondContact O-N 2.86Å; L97-H99 PolarHBondContact O-N 2.82Å; L97-V100 PolarHBondContact O-N 2.93Å; L97-L101 HydrophobicContact CD1-CD1 4.28Å; L97-L101 HydrophobicContact CD1-CG 4.4Å; L97-L101 HydrophobicContact CG-CD1 3.96Å; L97-L101 HydrophobicContact CG-CG 4.42Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.38Å; L97-L101 PolarHBondContact O-N 3.37Å |
| 98 | L | 75.6 | Confident | 69.8 | Low | 25 Ų | 25 | 61.4 Ų | 61.4 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 176.5 | -72.6 | 169.4 | 0 | 0 | 0 | 112.1 | F88 L94 S95 F96 L101 Q102 L103 G104 | F88-L98 HydrophobicContact CB-CD1 3.93Å; F88-L98 HydrophobicContact CD2-CD1 3.86Å; F88-L98 HydrophobicContact CG-CD1 4.12Å; L94-L98 HydrophobicContact CG-CD1 4.42Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.35Å; L94-L98 PolarHBondContact O-N 3.23Å; S95-L98 PolarHBondContact O-N 3.07Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 PolarHBondContact O-N 3.41Å; L98-L101 CarbonylContact O-C 3.52Å; L98-L101 PolarHBondContact O-N 3.12Å; L98-Q102 PolarHBondContact O-N 2.92Å; L98-L103 HydrophobicContact CB-CB 4.46Å; L98-L103 HydrophobicContact CD2-CB 3.91Å; L98-L103 CarbonylContact O-C 3.57Å; L98-L103 WeakPolarHBondContact O-CA 3.35Å; L98-L103 PolarHBondContact O-N 3.36Å; L98-G104 PolarHBondContact O-N 3.31Å |
| 99 | H | 75.1 | Confident | 70.1 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 9% | 0.088 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.7 | -40 | 174.7 | -73.9 | 80.7 | 0 | 0 | 0 | 111.7 | Q62 S65 S95 F96 L97 L101 Q102 | Q62-H99 PolarHBondContact O-CD2 3.39Å; Q62-H99 PolarHBondContact OE1-CD2 3.34Å; S65-H99 PolarHBondContact OG-NE2 3.22Å; S95-H99 PolarHBondContact O-N 2.96Å; S95-H99 PolarHBondContact O-ND1 3.45Å; F96-H99 PolarHBondContact O-N 2.87Å; F96-H99 VanDerWaalsContact O-N 3.16Å; L97-H99 PolarHBondContact O-N 2.82Å; H99-L101 VanDerWaalsContact C-N 3.32Å; H99-L101 PolarHBondContact O-N 3.47Å; H99-Q102 PolarHBondContact O-N 3.44Å; H99-Q102 VanDerWaalsContact O-N 3.11Å |
| 100 | V | 74.3 | Confident | 70.5 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | F96 L97 Q102 | F96-V100 HydrophobicContact CD1-CG2 4.16Å; F96-V100 HydrophobicContact CE1-CG2 3.76Å; F96-V100 HydrophobicContact CE2-CG2 4.19Å; F96-V100 HydrophobicContact CZ-CG2 3.78Å; F96-V100 WeakPolarHBondContact O-CG2 3.34Å; F96-V100 PolarHBondContact O-N 3.4Å; L97-V100 PolarHBondContact O-N 2.93Å; V100-Q102 PolarHBondContact O-N 3.4Å |
| 101 | L | 73.3 | Confident | 70.6 | Confident | 101 Ų | 101 | 59 Ų | 59 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 13 | 175.6 | -64.3 | 175.6 | 0 | 0 | 0 | 113.5 | L97 L98 H99 L103 | L97-L101 HydrophobicContact CD1-CD1 4.28Å; L97-L101 HydrophobicContact CD1-CG 4.4Å; L97-L101 HydrophobicContact CG-CD1 3.96Å; L97-L101 HydrophobicContact CG-CG 4.42Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.38Å; L97-L101 PolarHBondContact O-N 3.37Å; L98-L101 CarbonylContact O-C 3.52Å; L98-L101 PolarHBondContact O-N 3.12Å; H99-L101 VanDerWaalsContact C-N 3.32Å; H99-L101 PolarHBondContact O-N 3.47Å; L101-L103 HydrophobicContact CB-CD1 3.89Å; L101-L103 PolarHBondContact O-N 3.11Å |
| 102 | Q | 73.9 | Confident | 70.2 | Confident | 76 Ų | 76 | 56.8 Ų | 56.8 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 11.6 | -179.1 | -59.2 | -177.6 | -29.1 | 0 | 0 | 115.8 | Q62 L98 H99 V100 F106 | Q62-Q102 PolarHBondContact NE2-O 2.9Å; L98-Q102 PolarHBondContact O-N 2.92Å; H99-Q102 PolarHBondContact O-N 3.44Å; H99-Q102 VanDerWaalsContact O-N 3.11Å; V100-Q102 PolarHBondContact O-N 3.4Å; Q102-F106 WeakPolarHBondContact O-CD2 3.42Å |
| 103 | L | 69.8 | Low | 69.8 | Low | 85 Ų | 85 | 58 Ų | 58 | 45% | 0.445 | 29% | 0.29 | S | S | . | . | trans | -90.2 | -14.5 | 177.5 | -77.2 | 137.1 | 0 | 0 | 0 | 113.5 | L98 L101 F105 F106 C107 | L98-L103 HydrophobicContact CB-CB 4.46Å; L98-L103 HydrophobicContact CD2-CB 3.91Å; L98-L103 CarbonylContact O-C 3.57Å; L98-L103 WeakPolarHBondContact O-CA 3.35Å; L98-L103 PolarHBondContact O-N 3.36Å; L101-L103 HydrophobicContact CB-CD1 3.89Å; L101-L103 PolarHBondContact O-N 3.11Å; L103-F105 PolarHBondContact O-N 3.21Å; L103-F106 PolarHBondContact O-N 3.4Å; L103-C107 PolarHBondContact O-N 2.8Å; L103-C107 PolarHBondContact O-SG 3.29Å; L103-C107 VanDerWaalsContact O-SG 3.38Å | ||
| 104 | G | 64 | Low | 69.4 | Low | 4 Ų | 4 | 57.8 Ų | 57.8 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.3 | -56.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L98 F106 C107 R108 | L98-G104 PolarHBondContact O-N 3.31Å; G104-F106 PolarHBondContact O-N 2.97Å; G104-C107 PolarHBondContact O-N 2.9Å; G104-R108 PolarHBondContact O-N 3.2Å |
| 105 | F | 67.8 | Low | 68.7 | Low | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.3 | -49.1 | 173.6 | 179.7 | -113 | 0 | 0 | 0 | 113.3 | V61 Q62 L103 C107 R108 H109 L140 E144 | V61-F105 HydrophobicContact CG1-CB 4.26Å; V61-F105 HydrophobicContact CG1-CD1 4.37Å; V61-F105 HydrophobicContact CG1-CD2 3.44Å; V61-F105 VanDerWaalsContact CG1-CD2 3.44Å; V61-F105 HydrophobicContact CG1-CE2 3.78Å; V61-F105 HydrophobicContact CG1-CG 3.78Å; V61-F105 HydrophobicContact CG1-CZ 4.36Å; Q62-F105 VanDerWaalsContact NE2-N 3.11Å; L103-F105 PolarHBondContact O-N 3.21Å; F105-C107 PolarHBondContact O-N 3.35Å; F105-R108 PolarHBondContact O-N 2.86Å; F105-H109 WeakPolarHBondContact O-CB 3.5Å; F105-H109 PolarHBondContact O-N 2.85Å; F105-L140 HydrophobicContact CD2-CD1 4.2Å; F105-L140 HydrophobicContact CE2-CB 3.92Å; F105-L140 HydrophobicContact CE2-CD1 4.24Å; F105-E144 WeakPolarHBondContact CE1-OE1 3.43Å; F105-E144 WeakPolarHBondContact CZ-OE2 3.48Å |
| 106 | F | 66.9 | Low | 68.2 | Low | 103 Ų | 103 | 55.6 Ų | 55.6 | 45% | 0.452 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.7 | -73.5 | -77.8 | 0 | 0 | 0 | 112.1 | Q102 L103 G104 R108 H109 I110 | Q102-F106 WeakPolarHBondContact O-CD2 3.42Å; L103-F106 PolarHBondContact O-N 3.4Å; G104-F106 PolarHBondContact O-N 2.97Å; F106-R108 VanDerWaalsContact C-N 3.33Å; F106-R108 PolarHBondContact O-N 3.5Å; F106-H109 PolarHBondContact O-N 3.35Å; F106-I110 WeakPolarHBondContact O-CB 3.44Å; F106-I110 VanDerWaalsContact O-CG1 3.28Å; F106-I110 WeakPolarHBondContact O-CG1 3.49Å; F106-I110 PolarHBondContact O-N 3.46Å |
| 107 | C | 64.5 | Low | 67.7 | Low | 21 Ų | 21 | 55.9 Ų | 55.9 | 14% | 0.142 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 177 | -71.4 | 0 | 0 | 0 | 0 | 112.2 | L103 G104 F105 S111 | L103-C107 PolarHBondContact O-N 2.8Å; L103-C107 PolarHBondContact O-SG 3.29Å; L103-C107 VanDerWaalsContact O-SG 3.38Å; G104-C107 PolarHBondContact O-N 2.9Å; F105-C107 PolarHBondContact O-N 3.35Å; C107-S111 VanDerWaalsContact O-CB 3.23Å; C107-S111 WeakPolarHBondContact O-CB 3.36Å; C107-S111 PolarHBondContact O-N 2.94Å; C107-S111 PolarHBondContact O-OG 2.87Å |
| 108 | R | 67.1 | Low | 67.1 | Low | 24 Ų | 24 | 55.6 Ų | 55.6 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 177.3 | -169.7 | 170.1 | 126.2 | 124 | -7.2 | 111.7 | G104 F105 F106 S111 A112 L133 D136 L137 L140 | G104-R108 PolarHBondContact O-N 3.2Å; F105-R108 PolarHBondContact O-N 2.86Å; F106-R108 VanDerWaalsContact C-N 3.33Å; F106-R108 PolarHBondContact O-N 3.5Å; R108-S111 PolarHBondContact O-N 3.22Å; R108-A112 PolarHBondContact O-N 2.9Å; R108-L133 HydrophobicContact CG-CD1 4.19Å; R108-D136 IonicContact CZ-OD2 2.67Å; R108-D136 IonicContact NH1-OD2 3.59Å; R108-D136 PolarHBondContact NH1-OD2 2.77Å; R108-D136 VanDerWaalsContact NH2-CG 3.35Å; R108-D136 IonicContact NH2-OD2 3.08Å; R108-D136 PolarHBondContact NH2-OD2 2.85Å; R108-L137 HydrophobicContact CG-CD2 4.46Å; R108-L140 VanDerWaalsContact NH2-CD1 3.32Å |
| 109 | H | 67.1 | Low | 66.4 | Low | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.069 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -49.1 | 176.2 | -157.9 | 96.9 | 0 | 0 | 0 | 111.8 | F105 F106 S111 A112 I113 | F105-H109 WeakPolarHBondContact O-CB 3.5Å; F105-H109 PolarHBondContact O-N 2.85Å; F106-H109 PolarHBondContact O-N 3.35Å; H109-S111 VanDerWaalsContact C-N 3.31Å; H109-S111 PolarHBondContact O-N 3.39Å; H109-A112 PolarHBondContact O-N 3.41Å; H109-I113 VanDerWaalsContact CD2-CD1 3.44Å; H109-I113 WeakPolarHBondContact CD2-CD1 3.38Å; H109-I113 WeakPolarHBondContact O-CG1 3.42Å; H109-I113 PolarHBondContact O-N 2.85Å |
| 110 | I | 65.9 | Low | 65.7 | Low | 94 Ų | 94 | 61.1 Ų | 61.1 | 48% | 0.482 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 175.2 | -68.2 | 168.7 | 0 | 0 | 0 | 110.5 | L87 F106 A112 I113 W114 | L87-I110 HydrophobicContact CD1-CG2 4.46Å; F106-I110 WeakPolarHBondContact O-CB 3.44Å; F106-I110 VanDerWaalsContact O-CG1 3.28Å; F106-I110 WeakPolarHBondContact O-CG1 3.49Å; F106-I110 PolarHBondContact O-N 3.46Å; I110-A112 VanDerWaalsContact C-N 3.33Å; I110-A112 PolarHBondContact O-N 3.47Å; I110-I113 PolarHBondContact O-N 2.91Å; I110-W114 VanDerWaalsContact O-CB 3.24Å; I110-W114 WeakPolarHBondContact O-CB 3.31Å; I110-W114 PolarHBondContact O-N 3.3Å |
| 111 | S | 64.4 | Low | 64.7 | Low | 4 Ų | 4 | 65.5 Ų | 65.5 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | L87 C107 R108 H109 W114 Q115 | L87-S111 PolarHBondContact N-OG 3.07Å; L87-S111 VanDerWaalsContact N-OG 3.16Å; C107-S111 VanDerWaalsContact O-CB 3.23Å; C107-S111 WeakPolarHBondContact O-CB 3.36Å; C107-S111 PolarHBondContact O-N 2.94Å; C107-S111 PolarHBondContact O-OG 2.87Å; R108-S111 PolarHBondContact O-N 3.22Å; H109-S111 VanDerWaalsContact C-N 3.31Å; H109-S111 PolarHBondContact O-N 3.39Å; S111-W114 PolarHBondContact O-N 2.91Å; S111-Q115 WeakPolarHBondContact O-CB 3.33Å; S111-Q115 WeakPolarHBondContact O-CG 3.48Å; S111-Q115 PolarHBondContact O-N 3.31Å |
| 112 | A | 63.4 | Low | 63.8 | Low | 13 Ų | 13 | 68.5 Ų | 68.5 | 11% | 0.107 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R108 H109 I110 W114 Q115 G116 L133 L137 | R108-A112 PolarHBondContact O-N 2.9Å; H109-A112 PolarHBondContact O-N 3.41Å; I110-A112 VanDerWaalsContact C-N 3.33Å; I110-A112 PolarHBondContact O-N 3.47Å; A112-W114 VanDerWaalsContact C-N 3.32Å; A112-Q115 PolarHBondContact O-N 2.87Å; A112-G116 PolarHBondContact O-N 3.29Å; A112-L133 HydrophobicContact CB-CD2 3.53Å; A112-L133 HydrophobicContact CB-CG 3.81Å; A112-L137 HydrophobicContact CB-CD1 3.03Å; A112-L137 HydrophobicContact CB-CG 4.39Å |
| 113 | I | 64 | Low | 62.8 | Low | 88 Ų | 88 | 73.7 Ų | 73.7 | 45% | 0.451 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 173.2 | -68.5 | 175.4 | 0 | 0 | 0 | 109.7 | H109 I110 Q115 G116 F117 | H109-I113 VanDerWaalsContact CD2-CD1 3.44Å; H109-I113 WeakPolarHBondContact CD2-CD1 3.38Å; H109-I113 WeakPolarHBondContact O-CG1 3.42Å; H109-I113 PolarHBondContact O-N 2.85Å; I110-I113 PolarHBondContact O-N 2.91Å; I113-Q115 PolarHBondContact O-N 3.3Å; I113-G116 PolarHBondContact O-N 3.08Å; I113-F117 WeakPolarHBondContact O-CB 3.4Å; I113-F117 PolarHBondContact O-N 2.8Å |
| 114 | W | 65.9 | Low | 61.9 | Low | 175 Ų | 175 | 74.7 Ų | 74.7 | 66% | 0.663 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 178.9 | -173.5 | -94.8 | 0 | 0 | 0 | 112.3 | I110 S111 A112 F117 R118 | I110-W114 VanDerWaalsContact O-CB 3.24Å; I110-W114 WeakPolarHBondContact O-CB 3.31Å; I110-W114 PolarHBondContact O-N 3.3Å; S111-W114 PolarHBondContact O-N 2.91Å; A112-W114 VanDerWaalsContact C-N 3.32Å; W114-F117 PolarHBondContact O-N 3.39Å; W114-R118 WeakPolarHBondContact O-CB 3.38Å; W114-R118 PolarHBondContact O-N 3.4Å |
| 115 | Q | 60.3 | Low | 61 | Low | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 176.7 | -72.4 | 171.3 | 32.2 | 0 | 0 | 112.2 | N85 S111 A112 I113 F117 R118 V119 V130 | N85-Q115 HydrophobicContact CB-CG 4.39Å; N85-Q115 PolarHBondContact O-NE2 2.89Å; S111-Q115 WeakPolarHBondContact O-CB 3.33Å; S111-Q115 WeakPolarHBondContact O-CG 3.48Å; S111-Q115 PolarHBondContact O-N 3.31Å; A112-Q115 PolarHBondContact O-N 2.87Å; I113-Q115 PolarHBondContact O-N 3.3Å; Q115-F117 VanDerWaalsContact C-N 3.34Å; Q115-R118 PolarHBondContact O-N 3.37Å; Q115-V119 WeakPolarHBondContact O-CG2 3.3Å; Q115-V119 PolarHBondContact O-N 2.96Å; Q115-V130 HydrophobicContact CB-CG2 4.13Å |
| 116 | G | 59.6 | Low | 60.3 | Low | 28 Ų | 28 | 84.9 Ų | 84.9 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A112 I113 V119 W120 | A112-G116 PolarHBondContact O-N 3.29Å; I113-G116 PolarHBondContact O-N 3.08Å; G116-V119 PolarHBondContact O-N 3.13Å; G116-W120 WeakPolarHBondContact O-CB 3.43Å; G116-W120 PolarHBondContact O-N 3.16Å |
| 117 | F | 62.1 | Low | 59.9 | Low | 114 Ų | 114 | 82 Ų | 82 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 173.7 | -174.3 | -99 | 0 | 0 | 0 | 112 | I113 W114 Q115 V119 W120 W121 | I113-F117 WeakPolarHBondContact O-CB 3.4Å; I113-F117 PolarHBondContact O-N 2.8Å; W114-F117 PolarHBondContact O-N 3.39Å; Q115-F117 VanDerWaalsContact C-N 3.34Å; F117-V119 PolarHBondContact O-N 3.47Å; F117-W120 HydrophobicContact CD2-CE3 4.06Å; F117-W120 HydrophobicContact CD2-CZ3 4.35Å; F117-W120 AromaticContact CE2-CE3 3.97Å; F117-W120 HydrophobicContact CE2-CE3 3.97Å; F117-W120 AromaticContact CE2-CZ3 3.84Å; F117-W120 HydrophobicContact CE2-CZ3 3.84Å; F117-W120 PolarHBondContact O-N 3.17Å; F117-W121 HydrophobicContact CZ-CE3 4.21Å; F117-W121 WeakPolarHBondContact O-CB 3.49Å; F117-W121 PolarHBondContact O-N 2.95Å |
| 118 | R | 64.7 | Low | 59.7 | Low | 79 Ų | 79 | 82.5 Ų | 82.5 | 30% | 0.298 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.5 | -169.5 | 177.7 | 76.8 | -171.2 | 1.3 | 112.3 | N85 W114 Q115 R122 | N85-R118 PolarHBondContact OD1-NH1 3.31Å; N85-R118 PolarHBondContact OD1-NH2 3.32Å; W114-R118 WeakPolarHBondContact O-CB 3.38Å; W114-R118 PolarHBondContact O-N 3.4Å; Q115-R118 PolarHBondContact O-N 3.37Å; R118-R122 WeakPolarHBondContact O-CB 3.4Å; R118-R122 PolarHBondContact O-N 2.89Å |
| 119 | V | 60.8 | Low | 59.6 | Low | 27 Ų | 27 | 81.7 Ų | 81.7 | 16% | 0.164 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 177.4 | 169.3 | 0 | 0 | 0 | 0 | 111 | Q115 G116 F117 Q123 V130 | Q115-V119 WeakPolarHBondContact O-CG2 3.3Å; Q115-V119 PolarHBondContact O-N 2.96Å; G116-V119 PolarHBondContact O-N 3.13Å; F117-V119 PolarHBondContact O-N 3.47Å; V119-Q123 PolarHBondContact O-N 2.87Å; V119-Q123 VanDerWaalsContact O-N 3.12Å; V119-V130 HydrophobicContact CG2-CG2 3.89Å |
| 120 | W | 59.3 | Low | 59.4 | Low | 133 Ų | 133 | 81.9 Ų | 81.9 | 50% | 0.504 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 176.4 | 178.8 | 71.1 | 0 | 0 | 0 | 112.2 | G116 F117 | G116-W120 WeakPolarHBondContact O-CB 3.43Å; G116-W120 PolarHBondContact O-N 3.16Å; F117-W120 HydrophobicContact CD2-CE3 4.06Å; F117-W120 HydrophobicContact CD2-CZ3 4.35Å; F117-W120 AromaticContact CE2-CE3 3.97Å; F117-W120 HydrophobicContact CE2-CE3 3.97Å; F117-W120 AromaticContact CE2-CZ3 3.84Å; F117-W120 HydrophobicContact CE2-CZ3 3.84Å; F117-W120 PolarHBondContact O-N 3.17Å |
| 121 | W | 53.1 | Low | 59.5 | Low | 182 Ų | 182 | 80.9 Ų | 80.9 | 69% | 0.689 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70 | -35.6 | -178.7 | -171.4 | -96.8 | 0 | 0 | 0 | 113.3 | F117 | F117-W121 HydrophobicContact CZ-CE3 4.21Å; F117-W121 WeakPolarHBondContact O-CB 3.49Å; F117-W121 PolarHBondContact O-N 2.95Å |
| 122 | R | 55.4 | Low | 59.7 | Low | 164 Ų | 164 | 81.1 Ų | 81.1 | 62% | 0.619 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -93 | -3.7 | -177.4 | -70.2 | -171.9 | 175.7 | -169.2 | -2.4 | 115 | R118 E124 | R118-R122 WeakPolarHBondContact O-CB 3.4Å; R118-R122 PolarHBondContact O-N 2.89Å; R122-E124 HydrophobicContact CB-CG 4.27Å; R122-E124 PolarHBondContact O-N 3.07Å |
| 123 | Q | 52.1 | Low | 59.8 | Low | 184 Ų | 184 | 80.9 Ų | 80.9 | 86% | 0.86 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 24.6 | -174 | -82.4 | -169 | -8.4 | 0 | 0 | 114.1 | V119 Q125 | V119-Q123 PolarHBondContact O-N 2.87Å; V119-Q123 VanDerWaalsContact O-N 3.12Å; Q123-Q125 PolarHBondContact O-N 3.43Å |
| 124 | E | 52.4 | Low | 60 | Low | 106 Ų | 106 | 79.9 Ų | 79.9 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | trans | -66.7 | 133.8 | 172.1 | -78.1 | 175.5 | -178.7 | 0 | 0 | 108.2 | R122 G126 | R122-E124 HydrophobicContact CB-CG 4.27Å; R122-E124 PolarHBondContact O-N 3.07Å; E124-G126 PolarHBondContact O-N 3.23Å | ||
| 125 | Q | 44.6 | Very low | 60.4 | Low | 182 Ų | 182 | 72.1 Ų | 72.1 | 85% | 0.85 | 36% | 0.357 | S | S | * | . | trans | -51.8 | 116.6 | 171.5 | -76.6 | -176.5 | -7 | 0 | 0 | 107.6 | Q123 S127 | Q123-Q125 PolarHBondContact O-N 3.43Å; Q125-S127 PolarHBondContact O-N 3.08Å | ||
| 126 | G | 52.2 | Low | 61.2 | Low | 46 Ų | 46 | 72.1 Ų | 72.1 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | trans | -48.4 | 110.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 111 | E124 G128 | E124-G126 PolarHBondContact O-N 3.23Å; G126-G128 PolarHBondContact O-N 3.25Å | ||
| 127 | S | 57.9 | Low | 61.9 | Low | 42 Ų | 42 | 71.6 Ų | 71.6 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | trans | -54.1 | 130.2 | 178.4 | 69.6 | 0 | 0 | 0 | 0 | 107.4 | Q125 Y129 V130 | Q125-S127 PolarHBondContact O-N 3.08Å; S127-Y129 PolarHBondContact O-N 3.13Å; S127-V130 PolarHBondContact O-N 3.1Å | ||
| 128 | G | 61.8 | Low | 62.8 | Low | 32 Ų | 32 | 66.4 Ų | 66.4 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -49.8 | -22.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G126 V131 Y132 | G126-G128 PolarHBondContact O-N 3.25Å; G128-V131 PolarHBondContact O-N 3.46Å; G128-Y132 WeakPolarHBondContact O-CB 3.39Å; G128-Y132 PolarHBondContact O-N 2.9Å |
| 129 | Y | 63.9 | Low | 63.7 | Low | 6 Ų | 6 | 62.8 Ų | 62.8 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.6 | -42.7 | 170 | -171.3 | -101.7 | 0 | 0 | 0 | 115.2 | F78 Q81 T82 N85 V86 S127 Y132 L133 F386 | F78-Y129 HydrophobicContact CD1-CE2 4.06Å; F78-Y129 HydrophobicContact CE1-CD2 4.08Å; F78-Y129 AromaticContact CE1-CE2 3.46Å; F78-Y129 HydrophobicContact CE1-CE2 3.46Å; F78-Y129 VanDerWaalsContact CE1-CE2 3.46Å; F78-Y129 HydrophobicContact CE2-CD2 4.32Å; F78-Y129 HydrophobicContact CE2-CE2 4.48Å; F78-Y129 AromaticContact CZ-CD2 3.82Å; F78-Y129 HydrophobicContact CZ-CD2 3.82Å; F78-Y129 AromaticContact CZ-CE2 3.67Å; F78-Y129 HydrophobicContact CZ-CE2 3.67Å; Q81-Y129 HydrophobicContact CB-CD2 4.28Å; Q81-Y129 HydrophobicContact CB-CE2 4.27Å; Q81-Y129 HydrophobicContact CG-CD1 4.35Å; Q81-Y129 HydrophobicContact CG-CD2 3.57Å; Q81-Y129 HydrophobicContact CG-CE2 3.94Å; Q81-Y129 HydrophobicContact CG-CG 3.78Å; T82-Y129 PolarHBondContact OG1-OH 2.99Å; N85-Y129 HydrophobicContact CB-CE1 3.98Å; V86-Y129 VanDerWaalsContact CG2-OH 3.22Å; V86-Y129 WeakPolarHBondContact CG2-OH 3.39Å; S127-Y129 PolarHBondContact O-N 3.13Å; Y129-Y132 WeakPolarHBondContact O-CB 3.34Å; Y129-Y132 PolarHBondContact O-N 3.18Å; Y129-L133 HydrophobicContact CE1-CD2 4.5Å; Y129-L133 WeakPolarHBondContact O-CB 3.48Å; Y129-L133 PolarHBondContact O-N 2.66Å; Y129-F386 HydrophobicContact CD2-CD2 4.27Å; Y129-F386 HydrophobicContact CD2-CE2 4.28Å |
| 130 | V | 64.2 | Low | 64.7 | Low | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.6 | -38.4 | -178.8 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | Q115 V119 S127 L133 T134 | Q115-V130 HydrophobicContact CB-CG2 4.13Å; V119-V130 HydrophobicContact CG2-CG2 3.89Å; S127-V130 PolarHBondContact O-N 3.1Å; V130-L133 PolarHBondContact O-N 2.85Å; V130-T134 WeakPolarHBondContact O-CB 3.22Å; V130-T134 PolarHBondContact O-N 2.92Å; V130-T134 PolarHBondContact O-OG1 3.31Å |
| 131 | V | 67.2 | Low | 65.9 | Low | 73 Ų | 73 | 56.6 Ų | 56.6 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 172.6 | 175 | 0 | 0 | 0 | 0 | 109.9 | G128 L133 T134 H135 | G128-V131 PolarHBondContact O-N 3.46Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 3.1Å; V131-T134 PolarHBondContact O-N 3.11Å; V131-H135 WeakPolarHBondContact CG1-NE2 3.42Å; V131-H135 PolarHBondContact O-CD2 3.22Å; V131-H135 PolarHBondContact O-N 2.75Å; V131-H135 VanDerWaalsContact O-N 3.11Å |
| 132 | Y | 67.8 | Low | 67.6 | Low | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.3 | -49.1 | 174.2 | -177.3 | -76.9 | 0 | 0 | 0 | 112.2 | D72 F78 G128 Y129 T134 H135 D136 F386 N388 R390 | D72-Y132 PolarHBondContact OD1-OH 3.43Å; D72-Y132 WeakPolarHBondContact OD2-CE1 3.4Å; D72-Y132 PolarHBondContact OD2-OH 2.81Å; F78-Y132 HydrophobicContact CE1-CE1 4.3Å; F78-Y132 HydrophobicContact CE2-CD1 4.3Å; F78-Y132 HydrophobicContact CE2-CD2 4.33Å; F78-Y132 HydrophobicContact CE2-CE1 4.26Å; F78-Y132 HydrophobicContact CE2-CE2 4.25Å; F78-Y132 HydrophobicContact CE2-CG 4.36Å; F78-Y132 AromaticContact CZ-CD1 3.59Å; F78-Y132 HydrophobicContact CZ-CD1 3.59Å; F78-Y132 HydrophobicContact CZ-CD2 4.4Å; F78-Y132 AromaticContact CZ-CE1 3.55Å; F78-Y132 HydrophobicContact CZ-CE1 3.55Å; F78-Y132 HydrophobicContact CZ-CE2 4.33Å; F78-Y132 HydrophobicContact CZ-CG 4.05Å; F78-Y132 AromaticContact CZ-CZ 3.94Å; G128-Y132 WeakPolarHBondContact O-CB 3.39Å; G128-Y132 PolarHBondContact O-N 2.9Å; Y129-Y132 WeakPolarHBondContact O-CB 3.34Å; Y129-Y132 PolarHBondContact O-N 3.18Å; Y132-T134 VanDerWaalsContact C-N 3.33Å; Y132-T134 PolarHBondContact O-N 3.38Å; Y132-H135 WeakPolarHBondContact O-CB 3.48Å; Y132-H135 PolarHBondContact O-N 2.99Å; Y132-D136 WeakPolarHBondContact O-CB 3.47Å; Y132-D136 PolarHBondContact O-N 3.18Å; Y132-F386 HydrophobicContact CD2-CB 4.18Å; Y132-N388 HydrophobicContact CD2-CB 3.58Å; Y132-N388 HydrophobicContact CE2-CB 3.63Å; Y132-N388 HydrophobicContact CG-CB 4.37Å; Y132-R390 PolarHBondContact OH-NH2 3.22Å |
| 133 | L | 66.4 | Low | 69.2 | Low | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.9 | -33.5 | -178.4 | -174.1 | 60.4 | 0 | 0 | 0 | 112.7 | R108 A112 Y129 V130 V131 L137 | R108-L133 HydrophobicContact CG-CD1 4.19Å; A112-L133 HydrophobicContact CB-CD2 3.53Å; A112-L133 HydrophobicContact CB-CG 3.81Å; Y129-L133 HydrophobicContact CE1-CD2 4.5Å; Y129-L133 WeakPolarHBondContact O-CB 3.48Å; Y129-L133 PolarHBondContact O-N 2.66Å; V130-L133 PolarHBondContact O-N 2.85Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 3.1Å; L133-L137 HydrophobicContact CG-CD1 4.43Å; L133-L137 WeakPolarHBondContact O-CB 3.4Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.07Å |
| 134 | T | 68.3 | Low | 71 | Confident | 66 Ų | 66 | 32.8 Ų | 32.8 | 41% | 0.405 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.7 | -43.5 | 179.3 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | V130 V131 Y132 L137 S138 | V130-T134 WeakPolarHBondContact O-CB 3.22Å; V130-T134 PolarHBondContact O-N 2.92Å; V130-T134 PolarHBondContact O-OG1 3.31Å; V131-T134 PolarHBondContact O-N 3.11Å; Y132-T134 VanDerWaalsContact C-N 3.33Å; Y132-T134 PolarHBondContact O-N 3.38Å; T134-L137 PolarHBondContact O-N 3.02Å; T134-S138 PolarHBondContact O-N 3.4Å; T134-S138 PolarHBondContact O-OG 3.39Å |
| 135 | H | 74.6 | Confident | 72.8 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 6% | 0.06 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.9 | -54.3 | 172.2 | -75.1 | -20.4 | 0 | 0 | 0 | 112.3 | V131 Y132 L137 S138 M139 S191 S194 F195 M391 | V131-H135 WeakPolarHBondContact CG1-NE2 3.42Å; V131-H135 PolarHBondContact O-CD2 3.22Å; V131-H135 PolarHBondContact O-N 2.75Å; V131-H135 VanDerWaalsContact O-N 3.11Å; Y132-H135 WeakPolarHBondContact O-CB 3.48Å; Y132-H135 PolarHBondContact O-N 2.99Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-L137 PolarHBondContact O-N 3.43Å; H135-S138 PolarHBondContact O-N 3.47Å; H135-M139 PolarHBondContact O-N 3.24Å; H135-M139 VanDerWaalsContact O-N 3.11Å; H135-S191 PolarHBondContact CE1-O 3.44Å; H135-S191 PolarHBondContact ND1-O 2.94Å; H135-S194 PolarHBondContact CE1-OG 3.49Å; H135-S194 PolarHBondContact NE2-OG 3.11Å; H135-F195 AromaticContact CD2-CE2 3.74Å; H135-F195 AromaticContact CD2-CZ 3.53Å; H135-F195 AromaticContact CG-CE2 3.93Å; H135-F195 AromaticContact NE2-CE2 3.85Å; H135-F195 AromaticContact NE2-CZ 3.92Å; H135-M391 WeakPolarHBondContact CA-SD 3.44Å; H135-M391 HydrophobicContact CB-CE 4.46Å; H135-M391 HydrophobicContact CB-CG 4.21Å; H135-M391 HydrophobicContact CB-SD 3.25Å; H135-M391 WeakPolarHBondContact CB-SD 3.5Å |
| 136 | D | 77.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.7 | -39.7 | 179.9 | -122 | 48 | 0 | 0 | 0 | 111.3 | W68 R108 Y132 M139 L140 N388 R390 | W68-D136 VanDerWaalsContact CE3-OD2 3.31Å; W68-D136 HydrophobicContact CZ3-CB 4.43Å; W68-D136 VanDerWaalsContact CZ3-O 3.32Å; W68-D136 WeakPolarHBondContact CZ3-O 3.18Å; R108-D136 IonicContact CZ-OD2 2.67Å; R108-D136 IonicContact NH1-OD2 3.59Å; R108-D136 PolarHBondContact NH1-OD2 2.77Å; R108-D136 VanDerWaalsContact NH2-CG 3.35Å; R108-D136 IonicContact NH2-OD2 3.08Å; R108-D136 PolarHBondContact NH2-OD2 2.85Å; Y132-D136 WeakPolarHBondContact O-CB 3.47Å; Y132-D136 PolarHBondContact O-N 3.18Å; D136-M139 PolarHBondContact O-N 3.35Å; D136-L140 PolarHBondContact O-N 2.99Å; D136-L140 VanDerWaalsContact O-N 3.08Å; D136-N388 PolarHBondContact OD1-ND2 2.85Å; D136-R390 IonicContact OD1-CZ 3.3Å; D136-R390 IonicContact OD1-NE 3.34Å; D136-R390 IonicContact OD1-NH2 3.46Å; D136-R390 PolarHBondContact OD1-NH2 3.27Å; D136-R390 IonicContact OD2-NH2 2.74Å; D136-R390 PolarHBondContact OD2-NH2 3.29Å |
| 137 | L | 74.8 | Confident | 77 | Confident | 16 Ų | 16 | 17.8 Ų | 17.8 | 8% | 0.084 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69 | -41.4 | 174 | -78 | 173.7 | 0 | 0 | 0 | 114 | R108 A112 L133 T134 H135 M139 L140 R141 | R108-L137 HydrophobicContact CG-CD2 4.46Å; A112-L137 HydrophobicContact CB-CD1 3.03Å; A112-L137 HydrophobicContact CB-CG 4.39Å; L133-L137 HydrophobicContact CG-CD1 4.43Å; L133-L137 WeakPolarHBondContact O-CB 3.4Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.07Å; T134-L137 PolarHBondContact O-N 3.02Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-L137 PolarHBondContact O-N 3.43Å; L137-M139 PolarHBondContact O-N 3.24Å; L137-L140 HydrophobicContact CD2-CD1 4.43Å; L137-L140 PolarHBondContact O-N 3.36Å; L137-R141 WeakPolarHBondContact O-CB 3.34Å; L137-R141 VanDerWaalsContact O-CG 3.3Å; L137-R141 WeakPolarHBondContact O-CG 3.41Å; L137-R141 PolarHBondContact O-N 3.03Å |
| 138 | S | 79.1 | Confident | 78.6 | Confident | 6 Ų | 6 | 16.7 Ų | 16.7 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.2 | -36 | 175.5 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | T134 H135 L142 D187 S191 | T134-S138 PolarHBondContact O-N 3.4Å; T134-S138 PolarHBondContact O-OG 3.39Å; H135-S138 PolarHBondContact O-N 3.47Å; S138-L142 PolarHBondContact O-N 3.49Å; S138-L142 VanDerWaalsContact O-N 3.1Å; S138-D187 WeakPolarHBondContact CB-OD2 3.46Å; S138-D187 PolarHBondContact OG-OD2 3.17Å; S138-S191 WeakPolarHBondContact CB-OG 3.48Å; S138-S191 PolarHBondContact OG-OG 3.38Å |
| 139 | M | 83.6 | Confident | 79.9 | Confident | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.7 | -43.1 | 175.3 | -173.1 | 66.1 | -177.8 | 0 | 0 | 112.6 | W68 H135 D136 L137 R141 L142 I143 Y188 F258 Y268 F281 | W68-M139 HydrophobicContact CH2-CB 3.87Å; W68-M139 HydrophobicContact CH2-CG 3.65Å; W68-M139 HydrophobicContact CZ2-CG 4.22Å; W68-M139 HydrophobicContact CZ3-CB 4.48Å; H135-M139 PolarHBondContact O-N 3.24Å; H135-M139 VanDerWaalsContact O-N 3.11Å; D136-M139 PolarHBondContact O-N 3.35Å; L137-M139 PolarHBondContact O-N 3.24Å; M139-R141 VanDerWaalsContact C-N 3.33Å; M139-R141 PolarHBondContact O-N 2.93Å; M139-L142 WeakPolarHBondContact O-CB 3.49Å; M139-L142 PolarHBondContact O-N 3.45Å; M139-L142 HydrophobicContact SD-CD2 4.24Å; M139-I143 HydrophobicContact CE-CD1 4.28Å; M139-I143 HydrophobicContact CE-CG1 4.49Å; M139-I143 HydrophobicContact CG-CD1 4.36Å; M139-I143 WeakPolarHBondContact O-CG1 3.27Å; M139-I143 PolarHBondContact O-N 3.03Å; M139-I143 VanDerWaalsContact O-N 3.07Å; M139-Y188 HydrophobicContact CB-CD2 4.5Å; M139-Y188 HydrophobicContact CB-CE2 4.44Å; M139-Y188 HydrophobicContact SD-CD2 3.94Å; M139-Y188 HydrophobicContact SD-CE2 3.38Å; M139-Y188 WeakPolarHBondContact SD-CE2 3.3Å; M139-F258 HydrophobicContact CE-CZ 4.21Å; M139-F258 HydrophobicContact CG-CZ 4.49Å; M139-Y268 HydrophobicContact CE-CE2 4.07Å; M139-F281 HydrophobicContact CE-CE1 4.35Å; M139-F281 HydrophobicContact CE-CZ 4Å; M139-F281 HydrophobicContact SD-CZ 4.26Å |
| 140 | L | 83.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.3 | -72.5 | 170.1 | 0 | 0 | 0 | 111.9 | V61 F64 W68 F105 R108 D136 L137 L142 I143 E144 | V61-L140 HydrophobicContact CG1-CD2 4.3Å; F64-L140 HydrophobicContact CB-CD2 3.56Å; W68-L140 HydrophobicContact CE3-CD1 4.3Å; W68-L140 HydrophobicContact CE3-CD2 4.1Å; W68-L140 HydrophobicContact CE3-CG 4.11Å; W68-L140 HydrophobicContact CH2-CD2 3.87Å; W68-L140 HydrophobicContact CH2-CG 3.99Å; W68-L140 HydrophobicContact CZ3-CD1 4.02Å; W68-L140 HydrophobicContact CZ3-CD2 3.6Å; W68-L140 HydrophobicContact CZ3-CG 3.42Å; W68-L140 VanDerWaalsContact CZ3-CG 3.42Å; F105-L140 HydrophobicContact CD2-CD1 4.2Å; F105-L140 HydrophobicContact CE2-CB 3.92Å; F105-L140 HydrophobicContact CE2-CD1 4.24Å; R108-L140 VanDerWaalsContact NH2-CD1 3.32Å; D136-L140 PolarHBondContact O-N 2.99Å; D136-L140 VanDerWaalsContact O-N 3.08Å; L137-L140 HydrophobicContact CD2-CD1 4.43Å; L137-L140 PolarHBondContact O-N 3.36Å; L140-L142 VanDerWaalsContact C-N 3.29Å; L140-L142 PolarHBondContact O-N 3.22Å; L140-I143 WeakPolarHBondContact O-CB 3.44Å; L140-I143 PolarHBondContact O-N 3Å; L140-I143 VanDerWaalsContact O-N 3.16Å; L140-E144 WeakPolarHBondContact O-CB 3.39Å; L140-E144 PolarHBondContact O-N 2.91Å |
| 141 | R | 83.2 | Confident | 82.7 | Confident | 30 Ų | 30 | 15.5 Ų | 15.5 | 11% | 0.113 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | 177.3 | -71 | 179.1 | 75.2 | 155.9 | 3.4 | 111.7 | G20 L137 M139 T145 M184 | G20-R141 PolarHBondContact O-NH2 3.26Å; L137-R141 WeakPolarHBondContact O-CB 3.34Å; L137-R141 VanDerWaalsContact O-CG 3.3Å; L137-R141 WeakPolarHBondContact O-CG 3.41Å; L137-R141 PolarHBondContact O-N 3.03Å; M139-R141 VanDerWaalsContact C-N 3.33Å; M139-R141 PolarHBondContact O-N 2.93Å; R141-T145 VanDerWaalsContact O-CB 3.3Å; R141-T145 WeakPolarHBondContact O-CB 3.47Å; R141-T145 PolarHBondContact O-N 3.35Å; R141-T145 PolarHBondContact O-OG1 3.49Å; R141-M184 HydrophobicContact CB-SD 4.36Å |
| 142 | L | 88.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 173.7 | -172.8 | 74.8 | 0 | 0 | 0 | 111.2 | S138 M139 L140 T145 F146 V185 Y188 F281 | S138-L142 PolarHBondContact O-N 3.49Å; S138-L142 VanDerWaalsContact O-N 3.1Å; M139-L142 WeakPolarHBondContact O-CB 3.49Å; M139-L142 PolarHBondContact O-N 3.45Å; M139-L142 HydrophobicContact SD-CD2 4.24Å; L140-L142 VanDerWaalsContact C-N 3.29Å; L140-L142 PolarHBondContact O-N 3.22Å; L142-T145 PolarHBondContact O-N 3.16Å; L142-F146 HydrophobicContact CD1-CD2 4.15Å; L142-F146 HydrophobicContact CD1-CE2 3.7Å; L142-F146 HydrophobicContact CG-CD2 4.23Å; L142-F146 HydrophobicContact CG-CE2 4.22Å; L142-F146 VanDerWaalsContact O-CD2 3.31Å; L142-F146 WeakPolarHBondContact O-CD2 3.36Å; L142-F146 PolarHBondContact O-N 3.33Å; L142-V185 HydrophobicContact CD1-CB 4.4Å; L142-V185 HydrophobicContact CD1-CG2 3.98Å; L142-Y188 HydrophobicContact CD2-CD1 3.98Å; L142-Y188 HydrophobicContact CD2-CD2 4Å; L142-Y188 HydrophobicContact CD2-CE1 4.38Å; L142-Y188 HydrophobicContact CD2-CE2 4.38Å; L142-Y188 HydrophobicContact CD2-CG 3.77Å; L142-F281 HydrophobicContact CD2-CD2 3.97Å; L142-F281 HydrophobicContact CD2-CE2 3.45Å; L142-F281 VanDerWaalsContact CD2-CE2 3.45Å; L142-F281 HydrophobicContact CD2-CZ 4.14Å |
| 143 | I | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.8 | -50.7 | 178 | -68.6 | 166 | 0 | 0 | 0 | 110.6 | V60 V61 F64 M139 L140 T145 F146 C147 T271 | V60-I143 HydrophobicContact CG1-CG2 3.98Å; V61-I143 HydrophobicContact CG2-CG2 4.27Å; F64-I143 HydrophobicContact CD1-CD1 4.04Å; F64-I143 HydrophobicContact CD2-CD1 3.82Å; F64-I143 HydrophobicContact CD2-CG2 4.07Å; F64-I143 HydrophobicContact CE1-CD1 4.1Å; F64-I143 HydrophobicContact CE2-CD1 3.88Å; F64-I143 HydrophobicContact CE2-CG2 4.04Å; F64-I143 HydrophobicContact CG-CD1 3.92Å; F64-I143 HydrophobicContact CZ-CD1 4.03Å; M139-I143 HydrophobicContact CE-CD1 4.28Å; M139-I143 HydrophobicContact CE-CG1 4.49Å; M139-I143 HydrophobicContact CG-CD1 4.36Å; M139-I143 WeakPolarHBondContact O-CG1 3.27Å; M139-I143 PolarHBondContact O-N 3.03Å; M139-I143 VanDerWaalsContact O-N 3.07Å; L140-I143 WeakPolarHBondContact O-CB 3.44Å; L140-I143 PolarHBondContact O-N 3Å; L140-I143 VanDerWaalsContact O-N 3.16Å; I143-T145 PolarHBondContact O-N 3.3Å; I143-F146 PolarHBondContact O-N 2.9Å; I143-C147 WeakPolarHBondContact O-CB 3.36Å; I143-C147 PolarHBondContact O-N 2.95Å; I143-C147 PolarHBondContact O-SG 3.36Å; I143-T271 HydrophobicContact CB-CG2 4.41Å; I143-T271 HydrophobicContact CG1-CG2 4.07Å; I143-T271 HydrophobicContact CG2-CG2 3.73Å |
| 144 | E | 89.1 | Confident | 86.3 | Confident | 30 Ų | 30 | 12.2 Ų | 12.2 | 14% | 0.14 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -52.5 | -51.7 | 175.3 | -175.9 | -179.3 | -160.6 | 0 | 0 | 111 | V61 F105 L140 F146 C147 E148 | V61-E144 HydrophobicContact CG2-CB 3.74Å; V61-E144 HydrophobicContact CG2-CG 4.3Å; F105-E144 WeakPolarHBondContact CE1-OE1 3.43Å; F105-E144 WeakPolarHBondContact CZ-OE2 3.48Å; L140-E144 WeakPolarHBondContact O-CB 3.39Å; L140-E144 PolarHBondContact O-N 2.91Å; E144-F146 VanDerWaalsContact C-N 3.27Å; E144-F146 PolarHBondContact O-N 3.06Å; E144-F146 VanDerWaalsContact O-N 3.17Å; E144-C147 PolarHBondContact O-N 3.13Å; E144-C147 VanDerWaalsContact O-N 3.07Å; E144-E148 WeakPolarHBondContact O-CB 3.39Å; E144-E148 PolarHBondContact O-N 2.72Å |
| 145 | T | 90.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 9.8 Ų | 9.8 | 4% | 0.043 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -54.2 | -41 | -179.1 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | R141 L142 I143 S149 A150 I181 M184 | R141-T145 VanDerWaalsContact O-CB 3.3Å; R141-T145 WeakPolarHBondContact O-CB 3.47Å; R141-T145 PolarHBondContact O-N 3.35Å; R141-T145 PolarHBondContact O-OG1 3.49Å; L142-T145 PolarHBondContact O-N 3.16Å; I143-T145 PolarHBondContact O-N 3.3Å; T145-S149 WeakPolarHBondContact O-CB 3.39Å; T145-S149 PolarHBondContact O-N 3.37Å; T145-S149 VanDerWaalsContact O-N 3.17Å; T145-A150 PolarHBondContact O-N 3.17Å; T145-I181 HydrophobicContact CG2-CB 3.96Å; T145-I181 HydrophobicContact CG2-CG1 3.71Å; T145-I181 HydrophobicContact CG2-CG2 3.78Å; T145-M184 HydrophobicContact CG2-CB 4.2Å; T145-M184 HydrophobicContact CG2-CG 4.34Å; T145-M184 WeakPolarHBondContact OG1-CG 3.05Å |
| 146 | F | 93.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 11.2 Ų | 11.2 | 1% | 0.013 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -88.3 | -20.3 | -179.7 | -75.3 | -69.5 | 0 | 0 | 0 | 114 | L142 I143 E144 A150 P151 I181 V185 I218 I275 F278 | L142-F146 HydrophobicContact CD1-CD2 4.15Å; L142-F146 HydrophobicContact CD1-CE2 3.7Å; L142-F146 HydrophobicContact CG-CD2 4.23Å; L142-F146 HydrophobicContact CG-CE2 4.22Å; L142-F146 VanDerWaalsContact O-CD2 3.31Å; L142-F146 WeakPolarHBondContact O-CD2 3.36Å; L142-F146 PolarHBondContact O-N 3.33Å; I143-F146 PolarHBondContact O-N 2.9Å; E144-F146 VanDerWaalsContact C-N 3.27Å; E144-F146 PolarHBondContact O-N 3.06Å; E144-F146 VanDerWaalsContact O-N 3.17Å; F146-A150 HydrophobicContact CD1-CB 4.16Å; F146-P151 WeakPolarHBondContact O-CD 3.43Å; F146-I181 HydrophobicContact CE1-CG2 4.25Å; F146-I181 HydrophobicContact CZ-CG2 4.31Å; F146-V185 HydrophobicContact CE2-CG2 3.94Å; F146-V185 HydrophobicContact CZ-CG2 3.86Å; F146-I218 HydrophobicContact CE1-CD1 4.31Å; F146-I218 HydrophobicContact CZ-CD1 4.15Å; F146-I275 HydrophobicContact CB-CB 4.45Å; F146-I275 HydrophobicContact CB-CG1 3.71Å; F146-I275 HydrophobicContact CD2-CB 4.41Å; F146-I275 HydrophobicContact CD2-CG1 3.93Å; F146-I275 HydrophobicContact CD2-CG2 3.89Å; F146-I275 HydrophobicContact CE2-CG2 4.05Å; F146-I275 HydrophobicContact CG-CB 4.36Å; F146-I275 HydrophobicContact CG-CG1 3.96Å; F146-I275 HydrophobicContact CG-CG2 4.16Å; F146-I275 HydrophobicContact CZ-CG2 4.47Å; F146-F278 HydrophobicContact CD1-CB 3.84Å; F146-F278 HydrophobicContact CD1-CD2 4.35Å; F146-F278 HydrophobicContact CD1-CG 4.42Å; F146-F278 HydrophobicContact CE1-CB 3.87Å |
| 147 | C | 92 | Very high | 88.7 | Confident | 9 Ų | 9 | 11.6 Ų | 11.6 | 6% | 0.061 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -82.1 | -29.3 | 173.6 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | S57 I143 E144 L274 | S57-C147 WeakPolarHBondContact OG-CB 3.42Å; I143-C147 WeakPolarHBondContact O-CB 3.36Å; I143-C147 PolarHBondContact O-N 2.95Å; I143-C147 PolarHBondContact O-SG 3.36Å; E144-C147 PolarHBondContact O-N 3.13Å; E144-C147 VanDerWaalsContact O-N 3.07Å; C147-L274 HydrophobicContact CB-CD2 4.24Å; C147-L274 VanDerWaalsContact SG-CD2 3.59Å |
| 148 | E | 90.3 | Very high | 89.5 | Confident | 19 Ų | 19 | 11.2 Ų | 11.2 | 9% | 0.089 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -71.8 | -172.8 | -177.1 | 159.8 | -168.9 | 0 | 0 | 111.9 | M54 S57 E144 A150 P151 Q152 | M54-E148 WeakPolarHBondContact CG-OE1 3.34Å; S57-E148 WeakPolarHBondContact CB-OE2 3.22Å; S57-E148 WeakPolarHBondContact OG-CB 3.49Å; S57-E148 PolarHBondContact OG-OE2 2.92Å; S57-E148 VanDerWaalsContact OG-OE2 3.13Å; E144-E148 WeakPolarHBondContact O-CB 3.39Å; E144-E148 PolarHBondContact O-N 2.72Å; E148-A150 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 3.25Å; E148-P151 VanDerWaalsContact O-CD 3.27Å; E148-P151 WeakPolarHBondContact O-CD 3.48Å; E148-Q152 VanDerWaalsContact CG-CD 3.45Å; E148-Q152 HydrophobicContact CG-CG 4.37Å; E148-Q152 VanDerWaalsContact CG-OE1 3.29Å; E148-Q152 VanDerWaalsContact O-CB 3.31Å; E148-Q152 WeakPolarHBondContact O-CB 3.21Å; E148-Q152 WeakPolarHBondContact O-CG 3.24Å; E148-Q152 PolarHBondContact O-N 3.24Å |
| 149 | S | 90.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 12.1 Ų | 12.1 | 7% | 0.07 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | -168 | -38.9 | 0 | 0 | 0 | 0 | 112.7 | D27 T145 L153 | D27-S149 PolarHBondContact OD2-OG 3.43Å; T145-S149 WeakPolarHBondContact O-CB 3.39Å; T145-S149 PolarHBondContact O-N 3.37Å; T145-S149 VanDerWaalsContact O-N 3.17Å; S149-L153 WeakPolarHBondContact O-CB 3.38Å; S149-L153 PolarHBondContact O-N 3.1Å |
| 150 | A | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -70.4 | -50.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T145 F146 E148 L153 T154 I181 F278 | T145-A150 PolarHBondContact O-N 3.17Å; F146-A150 HydrophobicContact CD1-CB 4.16Å; E148-A150 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 3.25Å; A150-L153 PolarHBondContact O-N 3.17Å; A150-T154 PolarHBondContact O-N 2.84Å; A150-T154 PolarHBondContact O-OG1 2.48Å; A150-I181 HydrophobicContact CB-CD1 4.05Å; A150-F278 HydrophobicContact CB-CD1 4.16Å; A150-F278 HydrophobicContact CB-CD2 4.05Å; A150-F278 HydrophobicContact CB-CE1 4.28Å; A150-F278 HydrophobicContact CB-CE2 4.16Å; A150-F278 HydrophobicContact CB-CG 4.04Å; A150-F278 HydrophobicContact CB-CZ 4.28Å |
| 151 | P | 93.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 14.8 Ų | 14.8 | 14% | 0.143 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.9 | -43.3 | 168.9 | -28.6 | 35.1 | 0 | 0 | 0 | 113.8 | L53 F146 E148 T154 L155 F278 | L53-P151 HydrophobicContact CD1-CB 3.94Å; L53-P151 HydrophobicContact CD2-CB 3.86Å; L53-P151 HydrophobicContact CG-CB 4.49Å; F146-P151 WeakPolarHBondContact O-CD 3.43Å; E148-P151 VanDerWaalsContact O-CD 3.27Å; E148-P151 WeakPolarHBondContact O-CD 3.48Å; P151-T154 WeakPolarHBondContact O-CB 3.4Å; P151-T154 PolarHBondContact O-N 2.87Å; P151-L155 PolarHBondContact O-N 3.46Å; P151-F278 HydrophobicContact CG-CE2 3.87Å; P151-F278 HydrophobicContact CG-CZ 3.96Å |
| 152 | Q | 91.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 3% | 0.033 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 177.3 | -74.1 | 175 | -32.7 | 0 | 0 | 111.9 | D31 L50 L53 E148 T154 L155 M156 | D31-Q152 PolarHBondContact OD1-OE1 3.3Å; D31-Q152 PolarHBondContact OD2-NE2 3.29Å; L50-Q152 HydrophobicContact CD1-CB 4.44Å; L50-Q152 HydrophobicContact CD1-CG 3.7Å; L53-Q152 HydrophobicContact CD1-CG 4.38Å; E148-Q152 VanDerWaalsContact CG-CD 3.45Å; E148-Q152 HydrophobicContact CG-CG 4.37Å; E148-Q152 VanDerWaalsContact CG-OE1 3.29Å; E148-Q152 VanDerWaalsContact O-CB 3.31Å; E148-Q152 WeakPolarHBondContact O-CB 3.21Å; E148-Q152 WeakPolarHBondContact O-CG 3.24Å; E148-Q152 PolarHBondContact O-N 3.24Å; Q152-T154 VanDerWaalsContact C-N 3.26Å; Q152-T154 PolarHBondContact O-N 3.12Å; Q152-L155 CarbonylContact O-C 3.6Å; Q152-L155 WeakPolarHBondContact O-CB 3.4Å; Q152-L155 PolarHBondContact O-N 3.49Å; Q152-L155 VanDerWaalsContact O-N 3.13Å; Q152-M156 WeakPolarHBondContact O-CG 3.2Å; Q152-M156 PolarHBondContact O-N 2.99Å |
| 153 | L | 92.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 174.9 | 178.4 | 61.1 | 0 | 0 | 0 | 111.5 | S149 A150 M156 T157 V174 T178 I181 V222 | S149-L153 WeakPolarHBondContact O-CB 3.38Å; S149-L153 PolarHBondContact O-N 3.1Å; A150-L153 PolarHBondContact O-N 3.17Å; L153-M156 PolarHBondContact O-N 3.1Å; L153-T157 VanDerWaalsContact O-CB 3.27Å; L153-T157 WeakPolarHBondContact O-CB 3.31Å; L153-T157 PolarHBondContact O-N 2.87Å; L153-T157 PolarHBondContact O-OG1 3.02Å; L153-V174 HydrophobicContact CD1-CB 4.29Å; L153-V174 HydrophobicContact CD1-CG1 4.06Å; L153-V174 HydrophobicContact CD1-CG2 4.27Å; L153-T178 WeakPolarHBondContact CD2-OG1 3.47Å; L153-I181 HydrophobicContact CB-CD1 4.44Å; L153-I181 HydrophobicContact CD2-CD1 3.66Å; L153-V222 HydrophobicContact CD2-CG1 4.07Å; L153-V222 HydrophobicContact CG-CG1 3.9Å |
| 154 | T | 93.9 | Very high | 88.7 | Confident | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 175 | -55 | 0 | 0 | 0 | 0 | 110.8 | A150 P151 Q152 T157 H158 V225 A226 | A150-T154 PolarHBondContact O-N 2.84Å; A150-T154 PolarHBondContact O-OG1 2.48Å; P151-T154 WeakPolarHBondContact O-CB 3.4Å; P151-T154 PolarHBondContact O-N 2.87Å; Q152-T154 VanDerWaalsContact C-N 3.26Å; Q152-T154 PolarHBondContact O-N 3.12Å; T154-T157 PolarHBondContact O-N 3.33Å; T154-H158 WeakPolarHBondContact O-CB 3.36Å; T154-H158 PolarHBondContact O-N 3.04Å; T154-V225 HydrophobicContact CG2-CB 3.93Å; T154-V225 HydrophobicContact CG2-CG1 3.56Å; T154-A226 HydrophobicContact CG2-CB 4.33Å |
| 155 | L | 90.6 | Very high | 87.6 | Confident | 15 Ų | 15 | 32.2 Ų | 32.2 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.3 | 176.8 | 62.8 | 0 | 0 | 0 | 112 | W46 V49 L50 P151 Q152 T157 H158 I159 | W46-L155 HydrophobicContact CD2-CD1 4.21Å; W46-L155 HydrophobicContact CE3-CD1 3.26Å; W46-L155 HydrophobicContact CH2-CD1 4.35Å; W46-L155 HydrophobicContact CZ3-CD1 3.34Å; V49-L155 HydrophobicContact CG1-CD2 4.07Å; L50-L155 HydrophobicContact CB-CD2 4.28Å; P151-L155 PolarHBondContact O-N 3.46Å; Q152-L155 CarbonylContact O-C 3.6Å; Q152-L155 WeakPolarHBondContact O-CB 3.4Å; Q152-L155 PolarHBondContact O-N 3.49Å; Q152-L155 VanDerWaalsContact O-N 3.13Å; L155-T157 PolarHBondContact O-N 2.8Å; L155-H158 WeakPolarHBondContact O-CB 3.38Å; L155-H158 PolarHBondContact O-N 3.21Å; L155-I159 HydrophobicContact CD1-CD1 4.09Å; L155-I159 HydrophobicContact CD1-CG1 4.39Å; L155-I159 HydrophobicContact CG-CD1 4.03Å; L155-I159 WeakPolarHBondContact O-CG1 3.27Å; L155-I159 PolarHBondContact O-N 3.45Å |
| 156 | M | 89.3 | Confident | 86.3 | Confident | 43 Ų | 43 | 35.5 Ų | 35.5 | 21% | 0.212 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 179.1 | -68.8 | -47.9 | 119.9 | 0 | 0 | 112.2 | V34 L38 L50 Q152 L153 H158 I159 M160 | V34-M156 HydrophobicContact CB-SD 4.44Å; V34-M156 HydrophobicContact CG1-CE 3.53Å; V34-M156 HydrophobicContact CG1-CG 4.43Å; V34-M156 HydrophobicContact CG1-SD 3.29Å; V34-M156 WeakPolarHBondContact CG1-SD 3.24Å; V34-M156 HydrophobicContact CG2-SD 4.27Å; L38-M156 HydrophobicContact CD1-CE 4.36Å; L50-M156 HydrophobicContact CD1-CE 4.21Å; Q152-M156 WeakPolarHBondContact O-CG 3.2Å; Q152-M156 PolarHBondContact O-N 2.99Å; L153-M156 PolarHBondContact O-N 3.1Å; M156-H158 VanDerWaalsContact C-N 3.32Å; M156-H158 PolarHBondContact O-N 3.11Å; M156-I159 HydrophobicContact CE-CD1 3.96Å; M156-I159 PolarHBondContact O-N 3.5Å; M156-I159 HydrophobicContact SD-CD1 4.23Å; M156-M160 WeakPolarHBondContact O-CB 3.43Å; M156-M160 PolarHBondContact O-N 3.27Å |
| 157 | T | 90.6 | Very high | 85.4 | Confident | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.1 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | L153 T154 L155 M160 L161 A226 | L153-T157 VanDerWaalsContact O-CB 3.27Å; L153-T157 WeakPolarHBondContact O-CB 3.31Å; L153-T157 PolarHBondContact O-N 2.87Å; L153-T157 PolarHBondContact O-OG1 3.02Å; T154-T157 PolarHBondContact O-N 3.33Å; L155-T157 PolarHBondContact O-N 2.8Å; T157-M160 HydrophobicContact CG2-CE 4.42Å; T157-M160 PolarHBondContact O-N 3.13Å; T157-L161 HydrophobicContact CG2-CD1 3.95Å; T157-L161 HydrophobicContact CG2-CG 4.43Å; T157-L161 WeakPolarHBondContact O-CB 3.31Å; T157-L161 VanDerWaalsContact O-CG 3.23Å; T157-L161 WeakPolarHBondContact O-CG 3.37Å; T157-L161 PolarHBondContact O-N 3.22Å; T157-A226 HydrophobicContact CG2-CB 3.58Å |
| 158 | H | 90.1 | Very high | 84.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 173.4 | 162.5 | 69.4 | 0 | 0 | 0 | 112 | W46 T154 L155 M156 M160 L161 H162 A226 A229 T230 | W46-H158 AromaticContact CH2-CD2 3.62Å; W46-H158 AromaticContact CH2-NE2 3.31Å; W46-H158 VanDerWaalsContact CH2-NE2 3.31Å; W46-H158 WeakPolarHBondContact CH2-NE2 3.3Å; W46-H158 AromaticContact CZ2-CD2 3.9Å; W46-H158 AromaticContact CZ2-NE2 3.29Å; W46-H158 VanDerWaalsContact CZ2-NE2 3.29Å; W46-H158 WeakPolarHBondContact CZ2-NE2 3.35Å; T154-H158 WeakPolarHBondContact O-CB 3.36Å; T154-H158 PolarHBondContact O-N 3.04Å; L155-H158 WeakPolarHBondContact O-CB 3.38Å; L155-H158 PolarHBondContact O-N 3.21Å; M156-H158 VanDerWaalsContact C-N 3.32Å; M156-H158 PolarHBondContact O-N 3.11Å; H158-M160 VanDerWaalsContact C-N 3.31Å; H158-M160 PolarHBondContact O-N 2.86Å; H158-L161 PolarHBondContact O-N 2.89Å; H158-H162 VanDerWaalsContact O-CB 3.31Å; H158-H162 WeakPolarHBondContact O-CB 3.42Å; H158-H162 PolarHBondContact O-N 2.92Å; H158-A226 HydrophobicContact CB-CB 4.36Å; H158-A229 HydrophobicContact CB-CB 4.15Å; H158-A229 VanDerWaalsContact CE1-C 3.45Å; H158-A229 PolarHBondContact CE1-O 2.81Å; H158-A229 PolarHBondContact ND1-O 2.84Å; H158-T230 PolarHBondContact ND1-N 2.95Å |
| 159 | I | 86.4 | Confident | 83.8 | Confident | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 179.9 | -66.5 | 167 | 0 | 0 | 0 | 110.9 | L38 W46 L155 M156 T163 | L38-I159 HydrophobicContact CD2-CD1 4.21Å; W46-I159 HydrophobicContact CB-CD1 4.36Å; W46-I159 HydrophobicContact CG-CD1 4.44Å; L155-I159 HydrophobicContact CD1-CD1 4.09Å; L155-I159 HydrophobicContact CD1-CG1 4.39Å; L155-I159 HydrophobicContact CG-CD1 4.03Å; L155-I159 WeakPolarHBondContact O-CG1 3.27Å; L155-I159 PolarHBondContact O-N 3.45Å; M156-I159 HydrophobicContact CE-CD1 3.96Å; M156-I159 PolarHBondContact O-N 3.5Å; M156-I159 HydrophobicContact SD-CD1 4.23Å; I159-T163 WeakPolarHBondContact O-CB 3.32Å; I159-T163 WeakPolarHBondContact O-CG2 3.5Å; I159-T163 PolarHBondContact O-N 3.38Å; I159-T163 PolarHBondContact O-OG1 2.6Å |
| 160 | M | 86.4 | Confident | 83.3 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.9 | -177.6 | -174.5 | 68.2 | 0 | 0 | 111.9 | M156 T157 H158 T163 N164 Q170 V174 | M156-M160 WeakPolarHBondContact O-CB 3.43Å; M156-M160 PolarHBondContact O-N 3.27Å; T157-M160 HydrophobicContact CG2-CE 4.42Å; T157-M160 PolarHBondContact O-N 3.13Å; H158-M160 VanDerWaalsContact C-N 3.31Å; H158-M160 PolarHBondContact O-N 2.86Å; M160-T163 PolarHBondContact O-OG1 3.3Å; M160-N164 PolarHBondContact O-N 3.35Å; M160-Q170 HydrophobicContact CG-CB 4.21Å; M160-Q170 HydrophobicContact SD-CB 3.7Å; M160-V174 HydrophobicContact CE-CG2 4.1Å; M160-V174 HydrophobicContact SD-CG2 4.24Å |
| 161 | L | 86.1 | Confident | 82.8 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 17% | 0.173 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 179 | -70.9 | 168.7 | 0 | 0 | 0 | 111.8 | T157 H158 T163 N164 A226 L227 T230 | T157-L161 HydrophobicContact CG2-CD1 3.95Å; T157-L161 HydrophobicContact CG2-CG 4.43Å; T157-L161 WeakPolarHBondContact O-CB 3.31Å; T157-L161 VanDerWaalsContact O-CG 3.23Å; T157-L161 WeakPolarHBondContact O-CG 3.37Å; T157-L161 PolarHBondContact O-N 3.22Å; H158-L161 PolarHBondContact O-N 2.89Å; L161-T163 PolarHBondContact O-N 3.17Å; L161-N164 PolarHBondContact O-N 2.91Å; L161-A226 HydrophobicContact CD1-CB 4.21Å; L161-L227 HydrophobicContact CD1-CD2 3.8Å; L161-L227 HydrophobicContact CD1-CG 4.05Å; L161-L227 HydrophobicContact CD2-CD2 4.45Å; L161-T230 HydrophobicContact CB-CG2 3.64Å; L161-T230 HydrophobicContact CD1-CG2 4.39Å |
| 162 | H | 83.3 | Confident | 82.3 | Confident | 131 Ų | 131 | 62.2 Ų | 62.2 | 61% | 0.606 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 179.8 | -176.9 | -89.2 | 0 | 0 | 0 | 112.3 | H158 N164 | H158-H162 VanDerWaalsContact O-CB 3.31Å; H158-H162 WeakPolarHBondContact O-CB 3.42Å; H158-H162 PolarHBondContact O-N 2.92Å; H162-N164 PolarHBondContact O-N 3.02Å |
| 163 | T | 78.6 | Confident | 81.9 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 36% | 0.362 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -8 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | I159 M160 L161 K165 | I159-T163 WeakPolarHBondContact O-CB 3.32Å; I159-T163 WeakPolarHBondContact O-CG2 3.5Å; I159-T163 PolarHBondContact O-N 3.38Å; I159-T163 PolarHBondContact O-OG1 2.6Å; M160-T163 PolarHBondContact O-OG1 3.3Å; L161-T163 PolarHBondContact O-N 3.17Å; T163-K165 WeakPolarHBondContact O-CG 3.22Å; T163-K165 PolarHBondContact O-N 2.89Å |
| 164 | N | 71.8 | Confident | 81.7 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 25.5 | -178.9 | -148 | 10 | 0 | 0 | 0 | 114.3 | M160 L161 H162 L318 | M160-N164 PolarHBondContact O-N 3.35Å; L161-N164 PolarHBondContact O-N 2.91Å; H162-N164 PolarHBondContact O-N 3.02Å; N164-L318 PolarHBondContact ND2-O 2.7Å |
| 165 | K | 66.7 | Low | 81.4 | Confident | 160 Ų | 160 | 68.9 Ų | 68.9 | 70% | 0.696 | 38% | 0.375 | S | S | * | . | trans | -118.9 | 74.6 | 178.6 | -74.1 | 180 | -177.2 | 174.9 | 0 | 107.9 | T163 R167 Q170 | T163-K165 WeakPolarHBondContact O-CG 3.22Å; T163-K165 PolarHBondContact O-N 2.89Å; K165-R167 PolarHBondContact O-N 3.06Å; K165-Q170 PolarHBondContact O-OE1 2.94Å | ||
| 166 | A | 62.7 | Low | 81.2 | Confident | 77 Ų | 77 | 70 Ų | 70 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | trans | -72.6 | 79.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 167 | R | 73.2 | Confident | 81.2 | Confident | 181 Ų | 181 | 68.9 Ų | 68.9 | 68% | 0.683 | 38% | 0.383 | S | S | * | . | trans | -64.5 | 138.6 | 170.7 | -166 | 179.7 | -63.3 | -175.3 | 1.4 | 107.4 | K165 V169 Q170 C171 | K165-R167 PolarHBondContact O-N 3.06Å; R167-V169 PolarHBondContact O-N 2.91Å; R167-Q170 PolarHBondContact O-N 3.15Å; R167-C171 PolarHBondContact O-N 2.78Å | ||
| 168 | T | 76.4 | Confident | 81.3 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -48.2 | -38.2 | 179.7 | -47.5 | 0 | 0 | 0 | 0 | 112.4 | Q170 C171 V172 | T168-Q170 PolarHBondContact O-N 2.88Å; T168-C171 PolarHBondContact O-N 3.16Å; T168-V172 VanDerWaalsContact O-CG2 3.29Å; T168-V172 WeakPolarHBondContact O-CG2 3.44Å; T168-V172 PolarHBondContact O-N 3.18Å |
| 169 | V | 73.8 | Confident | 81.3 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 64% | 0.642 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 177.1 | -179 | 0 | 0 | 0 | 0 | 112.9 | R167 S173 | R167-V169 PolarHBondContact O-N 2.91Å; V169-S173 WeakPolarHBondContact O-CB 3.29Å; V169-S173 PolarHBondContact O-N 3.26Å |
| 170 | Q | 79.9 | Confident | 81.4 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.4 | -38.6 | 179.1 | -68.7 | 172.2 | -44.4 | 0 | 0 | 111.5 | M160 K165 R167 T168 V172 S173 V174 | M160-Q170 HydrophobicContact CG-CB 4.21Å; M160-Q170 HydrophobicContact SD-CB 3.7Å; K165-Q170 PolarHBondContact O-OE1 2.94Å; R167-Q170 PolarHBondContact O-N 3.15Å; T168-Q170 PolarHBondContact O-N 2.88Å; Q170-V172 VanDerWaalsContact C-N 3.35Å; Q170-S173 WeakPolarHBondContact O-CB 3.4Å; Q170-S173 PolarHBondContact O-N 3.49Å; Q170-V174 WeakPolarHBondContact O-CG2 3.3Å; Q170-V174 PolarHBondContact O-N 2.97Å |
| 171 | C | 81.4 | Confident | 81.6 | Confident | 68 Ų | 68 | 69.6 Ų | 69.6 | 46% | 0.459 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 173.7 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | R167 T168 S173 V174 V175 | R167-C171 PolarHBondContact O-N 2.78Å; T168-C171 PolarHBondContact O-N 3.16Å; C171-S173 VanDerWaalsContact C-N 3.3Å; C171-S173 PolarHBondContact O-N 2.93Å; C171-V174 PolarHBondContact O-N 3.4Å; C171-V175 WeakPolarHBondContact O-CG2 3.35Å; C171-V175 PolarHBondContact O-N 2.82Å |
| 172 | V | 82.3 | Confident | 81.9 | Confident | 92 Ų | 92 | 68 Ų | 68 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.7 | -41.6 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | T168 Q170 V175 A176 | T168-V172 VanDerWaalsContact O-CG2 3.29Å; T168-V172 WeakPolarHBondContact O-CG2 3.44Å; T168-V172 PolarHBondContact O-N 3.18Å; Q170-V172 VanDerWaalsContact C-N 3.35Å; V172-V175 PolarHBondContact O-N 3.07Å; V172-A176 VanDerWaalsContact O-CB 3.26Å; V172-A176 WeakPolarHBondContact O-CB 3.5Å; V172-A176 PolarHBondContact O-N 3.25Å |
| 173 | S | 83.6 | Confident | 82 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.9 | 172 | 0 | 0 | 0 | 0 | 112.6 | V169 Q170 C171 V175 A176 S177 | V169-S173 WeakPolarHBondContact O-CB 3.29Å; V169-S173 PolarHBondContact O-N 3.26Å; Q170-S173 WeakPolarHBondContact O-CB 3.4Å; Q170-S173 PolarHBondContact O-N 3.49Å; C171-S173 VanDerWaalsContact C-N 3.3Å; C171-S173 PolarHBondContact O-N 2.93Å; S173-V175 PolarHBondContact O-N 2.91Å; S173-A176 PolarHBondContact O-N 3.47Å; S173-S177 WeakPolarHBondContact O-CB 3.47Å; S173-S177 PolarHBondContact O-N 2.9Å; S173-S177 PolarHBondContact O-OG 3.43Å |
| 174 | V | 87.8 | Confident | 82.4 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L153 M160 Q170 C171 S177 T178 | L153-V174 HydrophobicContact CD1-CB 4.29Å; L153-V174 HydrophobicContact CD1-CG1 4.06Å; L153-V174 HydrophobicContact CD1-CG2 4.27Å; M160-V174 HydrophobicContact CE-CG2 4.1Å; M160-V174 HydrophobicContact SD-CG2 4.24Å; Q170-V174 WeakPolarHBondContact O-CG2 3.3Å; Q170-V174 PolarHBondContact O-N 2.97Å; C171-V174 PolarHBondContact O-N 3.4Å; V174-S177 PolarHBondContact O-N 3.17Å; V174-T178 WeakPolarHBondContact O-CB 3.42Å; V174-T178 PolarHBondContact O-N 2.88Å; V174-T178 PolarHBondContact O-OG1 3.23Å |
| 175 | V | 88.5 | Confident | 83.3 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | C171 V172 S173 T178 T179 | C171-V175 WeakPolarHBondContact O-CG2 3.35Å; C171-V175 PolarHBondContact O-N 2.82Å; V172-V175 PolarHBondContact O-N 3.07Å; S173-V175 PolarHBondContact O-N 2.91Å; V175-T178 PolarHBondContact O-N 3.03Å; V175-T179 VanDerWaalsContact O-CB 3.31Å; V175-T179 WeakPolarHBondContact O-CB 3.28Å; V175-T179 PolarHBondContact O-N 3.15Å; V175-T179 PolarHBondContact O-OG1 3.17Å |
| 176 | A | 86.6 | Confident | 84.2 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V172 S173 T179 S180 | V172-A176 VanDerWaalsContact O-CB 3.26Å; V172-A176 WeakPolarHBondContact O-CB 3.5Å; V172-A176 PolarHBondContact O-N 3.25Å; S173-A176 PolarHBondContact O-N 3.47Å; A176-T179 WeakPolarHBondContact O-CB 3.35Å; A176-T179 PolarHBondContact O-N 3.25Å; A176-S180 PolarHBondContact O-N 3.05Å |
| 177 | S | 89.8 | Confident | 85.1 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 178.6 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | S173 V174 T179 S180 I181 | S173-S177 WeakPolarHBondContact O-CB 3.47Å; S173-S177 PolarHBondContact O-N 2.9Å; S173-S177 PolarHBondContact O-OG 3.43Å; V174-S177 PolarHBondContact O-N 3.17Å; S177-T179 VanDerWaalsContact C-N 3.3Å; S177-T179 PolarHBondContact O-N 3.43Å; S177-S180 WeakPolarHBondContact O-CB 3.28Å; S177-S180 PolarHBondContact O-N 3.09Å; S177-S180 VanDerWaalsContact O-N 3.16Å; S177-I181 WeakPolarHBondContact O-CG1 3.48Å; S177-I181 PolarHBondContact O-N 3.28Å |
| 178 | T | 91.6 | Very high | 85.6 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 176.2 | -43.4 | 0 | 0 | 0 | 0 | 111.6 | L153 V174 V175 I181 A182 L215 I218 A219 | L153-T178 WeakPolarHBondContact CD2-OG1 3.47Å; V174-T178 WeakPolarHBondContact O-CB 3.42Å; V174-T178 PolarHBondContact O-N 2.88Å; V174-T178 PolarHBondContact O-OG1 3.23Å; V175-T178 PolarHBondContact O-N 3.03Å; T178-I181 PolarHBondContact O-N 3.37Å; T178-A182 PolarHBondContact O-N 3.49Å; T178-L215 HydrophobicContact CG2-CD1 3.84Å; T178-I218 HydrophobicContact CG2-CG2 4.35Å; T178-A219 HydrophobicContact CG2-CB 3.85Å |
| 179 | T | 90.3 | Very high | 85.9 | Confident | 50 Ų | 50 | 35.1 Ų | 35.1 | 31% | 0.307 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 174.2 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | V175 A176 S177 A182 W183 F211 | V175-T179 VanDerWaalsContact O-CB 3.31Å; V175-T179 WeakPolarHBondContact O-CB 3.28Å; V175-T179 PolarHBondContact O-N 3.15Å; V175-T179 PolarHBondContact O-OG1 3.17Å; A176-T179 WeakPolarHBondContact O-CB 3.35Å; A176-T179 PolarHBondContact O-N 3.25Å; S177-T179 VanDerWaalsContact C-N 3.3Å; S177-T179 PolarHBondContact O-N 3.43Å; T179-A182 PolarHBondContact O-N 3.47Å; T179-W183 VanDerWaalsContact O-CB 3.32Å; T179-W183 WeakPolarHBondContact O-CB 3.46Å; T179-W183 PolarHBondContact O-N 3.42Å; T179-F211 HydrophobicContact CG2-CE2 4.06Å; T179-F211 HydrophobicContact CG2-CZ 3.61Å |
| 180 | S | 87.9 | Confident | 86.1 | Confident | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 175.6 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | A176 S177 A182 W183 M184 | A176-S180 PolarHBondContact O-N 3.05Å; S177-S180 WeakPolarHBondContact O-CB 3.28Å; S177-S180 PolarHBondContact O-N 3.09Å; S177-S180 VanDerWaalsContact O-N 3.16Å; S180-A182 PolarHBondContact O-N 3.43Å; S180-W183 WeakPolarHBondContact O-CB 3.25Å; S180-W183 PolarHBondContact O-N 3.25Å; S180-W183 VanDerWaalsContact O-N 3.16Å; S180-M184 WeakPolarHBondContact O-CG 3.48Å; S180-M184 PolarHBondContact O-N 2.65Å |
| 181 | I | 91.4 | Very high | 85.8 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -50.5 | 176.4 | -64.9 | 166.5 | 0 | 0 | 0 | 110.7 | T145 F146 A150 L153 S177 T178 W183 M184 V185 I218 | T145-I181 HydrophobicContact CG2-CB 3.96Å; T145-I181 HydrophobicContact CG2-CG1 3.71Å; T145-I181 HydrophobicContact CG2-CG2 3.78Å; F146-I181 HydrophobicContact CE1-CG2 4.25Å; F146-I181 HydrophobicContact CZ-CG2 4.31Å; A150-I181 HydrophobicContact CB-CD1 4.05Å; L153-I181 HydrophobicContact CB-CD1 4.44Å; L153-I181 HydrophobicContact CD2-CD1 3.66Å; S177-I181 WeakPolarHBondContact O-CG1 3.48Å; S177-I181 PolarHBondContact O-N 3.28Å; T178-I181 PolarHBondContact O-N 3.37Å; I181-W183 PolarHBondContact O-N 3.47Å; I181-M184 PolarHBondContact O-N 3.03Å; I181-M184 VanDerWaalsContact O-N 3.17Å; I181-V185 WeakPolarHBondContact O-CG2 3.44Å; I181-V185 PolarHBondContact O-N 3.04Å; I181-I218 HydrophobicContact CG2-CD1 3.85Å; I181-I218 HydrophobicContact CG2-CG2 4.23Å |
| 182 | A | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -34.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T178 T179 S180 V185 V186 F211 N214 L215 | T178-A182 PolarHBondContact O-N 3.49Å; T179-A182 PolarHBondContact O-N 3.47Å; S180-A182 PolarHBondContact O-N 3.43Å; A182-V185 PolarHBondContact O-N 3.4Å; A182-V186 WeakPolarHBondContact O-CG2 3.46Å; A182-V186 PolarHBondContact O-N 2.89Å; A182-F211 HydrophobicContact CB-CD2 3.97Å; A182-F211 HydrophobicContact CB-CE2 3.67Å; A182-F211 HydrophobicContact CB-CZ 4.36Å; A182-N214 HydrophobicContact CB-CB 4.36Å; A182-L215 HydrophobicContact CB-CB 4.03Å; A182-L215 HydrophobicContact CB-CD1 4.28Å |
| 183 | W | 86.9 | Confident | 84.9 | Confident | 43 Ų | 43 | 23.3 Ų | 23.3 | 16% | 0.163 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 175.1 | -175.6 | -99.1 | 0 | 0 | 0 | 112.5 | F16 V19 T179 S180 I181 V185 V186 D187 F211 | F16-W183 HydrophobicContact CB-CZ2 4.33Å; F16-W183 AromaticContact CD1-CH2 3.24Å; F16-W183 HydrophobicContact CD1-CH2 3.24Å; F16-W183 AromaticContact CD1-CZ2 3.11Å; F16-W183 HydrophobicContact CD1-CZ2 3.11Å; F16-W183 HydrophobicContact CD1-CZ3 4.17Å; F16-W183 HydrophobicContact CD2-CH2 4.22Å; F16-W183 HydrophobicContact CE1-CE3 4.3Å; F16-W183 AromaticContact CE1-CH2 2.93Å; F16-W183 HydrophobicContact CE1-CH2 2.93Å; F16-W183 AromaticContact CE1-CZ2 3.34Å; F16-W183 HydrophobicContact CE1-CZ2 3.34Å; F16-W183 AromaticContact CE1-CZ3 3.47Å; F16-W183 HydrophobicContact CE1-CZ3 3.47Å; F16-W183 VanDerWaalsContact CE1-CZ3 3.47Å; F16-W183 AromaticContact CE2-CH2 3.99Å; F16-W183 HydrophobicContact CE2-CH2 3.99Å; F16-W183 AromaticContact CG-CH2 3.88Å; F16-W183 HydrophobicContact CG-CH2 3.88Å; F16-W183 AromaticContact CG-CZ2 3.77Å; F16-W183 HydrophobicContact CG-CZ2 3.77Å; F16-W183 AromaticContact CZ-CH2 3.33Å; F16-W183 HydrophobicContact CZ-CH2 3.33Å; F16-W183 HydrophobicContact CZ-CZ2 4.13Å; F16-W183 AromaticContact CZ-CZ3 3.8Å; F16-W183 HydrophobicContact CZ-CZ3 3.8Å; V19-W183 HydrophobicContact CB-CZ2 3.91Å; V19-W183 HydrophobicContact CG1-CD2 4.47Å; V19-W183 HydrophobicContact CG1-CH2 4.2Å; V19-W183 HydrophobicContact CG1-CZ2 3.61Å; T179-W183 VanDerWaalsContact O-CB 3.32Å; T179-W183 WeakPolarHBondContact O-CB 3.46Å; T179-W183 PolarHBondContact O-N 3.42Å; S180-W183 WeakPolarHBondContact O-CB 3.25Å; S180-W183 PolarHBondContact O-N 3.25Å; S180-W183 VanDerWaalsContact O-N 3.16Å; I181-W183 PolarHBondContact O-N 3.47Å; W183-V185 VanDerWaalsContact C-N 3.27Å; W183-V185 PolarHBondContact O-N 3.31Å; W183-V186 WeakPolarHBondContact O-CB 3.49Å; W183-V186 PolarHBondContact O-N 3.33Å; W183-D187 PolarHBondContact O-N 2.99Å; W183-F211 HydrophobicContact CB-CE2 4.39Å; W183-F211 HydrophobicContact CE3-CD2 4.46Å |
| 184 | M | 86.9 | Confident | 84.2 | Confident | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.039 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -35.9 | 174.9 | -68 | -65.2 | 97.7 | 0 | 0 | 112.2 | R141 T145 S180 I181 D187 Y188 | R141-M184 HydrophobicContact CB-SD 4.36Å; T145-M184 HydrophobicContact CG2-CB 4.2Å; T145-M184 HydrophobicContact CG2-CG 4.34Å; T145-M184 WeakPolarHBondContact OG1-CG 3.05Å; S180-M184 WeakPolarHBondContact O-CG 3.48Å; S180-M184 PolarHBondContact O-N 2.65Å; I181-M184 PolarHBondContact O-N 3.03Å; I181-M184 VanDerWaalsContact O-N 3.17Å; M184-D187 PolarHBondContact O-N 2.9Å; M184-Y188 PolarHBondContact O-N 3.34Å |
| 185 | V | 89.3 | Confident | 83 | Confident | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 173.7 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | L142 F146 I181 A182 W183 H189 Y210 N214 I218 | L142-V185 HydrophobicContact CD1-CB 4.4Å; L142-V185 HydrophobicContact CD1-CG2 3.98Å; F146-V185 HydrophobicContact CE2-CG2 3.94Å; F146-V185 HydrophobicContact CZ-CG2 3.86Å; I181-V185 WeakPolarHBondContact O-CG2 3.44Å; I181-V185 PolarHBondContact O-N 3.04Å; A182-V185 PolarHBondContact O-N 3.4Å; W183-V185 VanDerWaalsContact C-N 3.27Å; W183-V185 PolarHBondContact O-N 3.31Å; V185-H189 WeakPolarHBondContact O-CB 3.4Å; V185-H189 PolarHBondContact O-N 2.95Å; V185-Y210 HydrophobicContact CG1-CE1 3.98Å; V185-N214 VanDerWaalsContact CG1-ND2 3.32Å; V185-N214 WeakPolarHBondContact CG1-ND2 3.47Å; V185-I218 HydrophobicContact CG2-CD1 4.45Å |
| 186 | V | 85.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.7 | -43.2 | 175.2 | 176 | 0 | 0 | 0 | 0 | 111.2 | A182 W183 H189 R190 Y210 F211 | A182-V186 WeakPolarHBondContact O-CG2 3.46Å; A182-V186 PolarHBondContact O-N 2.89Å; W183-V186 WeakPolarHBondContact O-CB 3.49Å; W183-V186 PolarHBondContact O-N 3.33Å; V186-H189 PolarHBondContact O-N 3.12Å; V186-H189 VanDerWaalsContact O-N 3.16Å; V186-R190 WeakPolarHBondContact O-CG 3.4Å; V186-R190 PolarHBondContact O-N 2.94Å; V186-Y210 HydrophobicContact CB-CD1 4.46Å; V186-Y210 HydrophobicContact CG2-CD1 3.88Å; V186-F211 HydrophobicContact CG2-CB 3.77Å; V186-F211 HydrophobicContact CG2-CD2 4.12Å; V186-F211 HydrophobicContact CG2-CG 4.47Å |
| 187 | D | 80.9 | Confident | 80.3 | Confident | 38 Ų | 38 | 24.1 Ų | 24.1 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.1 | -49.6 | 177.3 | -174.9 | 72.9 | 0 | 0 | 0 | 110.9 | S138 W183 M184 H189 R190 S191 | S138-D187 WeakPolarHBondContact CB-OD2 3.46Å; S138-D187 PolarHBondContact OG-OD2 3.17Å; W183-D187 PolarHBondContact O-N 2.99Å; M184-D187 PolarHBondContact O-N 2.9Å; D187-H189 VanDerWaalsContact C-N 3.33Å; D187-H189 PolarHBondContact O-N 2.97Å; D187-R190 PolarHBondContact O-N 3.38Å; D187-S191 PolarHBondContact O-N 3.16Å |
| 188 | Y | 83.8 | Confident | 78.6 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.5 | -47 | 172.3 | 168.8 | -97.3 | 0 | 0 | 0 | 112.4 | M139 L142 M184 R190 S191 L192 F281 M391 H394 | M139-Y188 HydrophobicContact CB-CD2 4.5Å; M139-Y188 HydrophobicContact CB-CE2 4.44Å; M139-Y188 HydrophobicContact SD-CD2 3.94Å; M139-Y188 HydrophobicContact SD-CE2 3.38Å; M139-Y188 WeakPolarHBondContact SD-CE2 3.3Å; L142-Y188 HydrophobicContact CD2-CD1 3.98Å; L142-Y188 HydrophobicContact CD2-CD2 4Å; L142-Y188 HydrophobicContact CD2-CE1 4.38Å; L142-Y188 HydrophobicContact CD2-CE2 4.38Å; L142-Y188 HydrophobicContact CD2-CG 3.77Å; M184-Y188 PolarHBondContact O-N 3.34Å; Y188-R190 VanDerWaalsContact C-N 3.28Å; Y188-R190 PolarHBondContact O-N 3.36Å; Y188-S191 WeakPolarHBondContact O-CB 3.35Å; Y188-S191 PolarHBondContact O-N 3.16Å; Y188-L192 HydrophobicContact CE1-CD2 4.28Å; Y188-L192 PolarHBondContact O-N 2.9Å; Y188-F281 HydrophobicContact CD1-CE2 4.04Å; Y188-F281 HydrophobicContact CE1-CD2 4.36Å; Y188-F281 AromaticContact CE1-CE2 3.36Å; Y188-F281 HydrophobicContact CE1-CE2 3.36Å; Y188-F281 HydrophobicContact CE1-CZ 4.01Å; Y188-F281 HydrophobicContact CE2-CE2 4.41Å; Y188-F281 HydrophobicContact CE2-CZ 4.47Å; Y188-F281 AromaticContact CZ-CE2 3.57Å; Y188-F281 AromaticContact CZ-CZ 3.72Å; Y188-F281 WeakPolarHBondContact OH-CZ 3.47Å; Y188-M391 HydrophobicContact CD2-CE 4.35Å; Y188-M391 HydrophobicContact CE2-CE 3.96Å; Y188-H394 WeakPolarHBondContact OH-CB 3.3Å; Y188-H394 PolarHBondContact OH-ND1 3.34Å |
| 189 | H | 82.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -34.7 | -179 | -176.3 | 71.9 | 0 | 0 | 0 | 112.8 | V185 V186 D187 L192 R193 Y210 Y344 F398 Y399 | V185-H189 WeakPolarHBondContact O-CB 3.4Å; V185-H189 PolarHBondContact O-N 2.95Å; V186-H189 PolarHBondContact O-N 3.12Å; V186-H189 VanDerWaalsContact O-N 3.16Å; D187-H189 VanDerWaalsContact C-N 3.33Å; D187-H189 PolarHBondContact O-N 2.97Å; H189-L192 WeakPolarHBondContact O-CB 3.38Å; H189-L192 PolarHBondContact O-N 3.36Å; H189-R193 WeakPolarHBondContact O-CB 3.4Å; H189-R193 PolarHBondContact O-N 2.72Å; H189-Y210 HydrophobicContact CB-CD1 4.04Å; H189-Y210 HydrophobicContact CB-CE1 3.37Å; H189-Y210 HydrophobicContact CB-CE2 4.33Å; H189-Y210 AromaticContact CD2-CE2 3.99Å; H189-Y210 AromaticContact CE1-CE2 3.75Å; H189-Y210 AromaticContact CG-CE1 3.62Å; H189-Y210 AromaticContact CG-CE2 3.69Å; H189-Y210 AromaticContact CG-CZ 3.41Å; H189-Y210 VanDerWaalsContact CG-CZ 3.41Å; H189-Y210 AromaticContact ND1-CE2 3.55Å; H189-Y210 AromaticContact ND1-CZ 3.51Å; H189-Y344 PolarHBondContact CE1-OH 3.32Å; H189-Y344 AromaticContact NE2-CZ 3.97Å; H189-Y344 PolarHBondContact NE2-OH 2.95Å; H189-F398 AromaticContact CE1-CE1 3.47Å; H189-F398 VanDerWaalsContact CE1-CE1 3.47Å; H189-F398 WeakPolarHBondContact CE1-CE1 3.45Å; H189-F398 AromaticContact CE1-CZ 3.79Å; H189-Y399 AromaticContact CE1-CZ 3.87Å; H189-Y399 PolarHBondContact CE1-OH 2.9Å; H189-Y399 PolarHBondContact NE2-OH 3.27Å |
| 190 | R | 77.9 | Confident | 75.3 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 18% | 0.181 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.3 | -43.8 | 173.5 | -76.3 | -177.8 | 171.8 | -163.7 | 3.1 | 112.1 | F16 V186 D187 Y188 L192 R193 S194 | F16-R190 VanDerWaalsContact CE1-NH2 3.26Å; F16-R190 VanDerWaalsContact CE2-NH2 3.35Å; F16-R190 VanDerWaalsContact CZ-NH1 3.35Å; V186-R190 WeakPolarHBondContact O-CG 3.4Å; V186-R190 PolarHBondContact O-N 2.94Å; D187-R190 PolarHBondContact O-N 3.38Å; Y188-R190 VanDerWaalsContact C-N 3.28Å; Y188-R190 PolarHBondContact O-N 3.36Å; R190-L192 PolarHBondContact O-N 2.9Å; R190-R193 PolarHBondContact O-N 3.43Å; R190-R193 VanDerWaalsContact O-N 3.12Å; R190-S194 PolarHBondContact O-N 3.33Å; R190-S194 VanDerWaalsContact O-N 3.16Å |
| 191 | S | 75.1 | Confident | 74 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.5 | -39.3 | 172.4 | -76.9 | 0 | 0 | 0 | 0 | 110.8 | H135 S138 D187 Y188 S194 | H135-S191 PolarHBondContact CE1-O 3.44Å; H135-S191 PolarHBondContact ND1-O 2.94Å; S138-S191 WeakPolarHBondContact CB-OG 3.48Å; S138-S191 PolarHBondContact OG-OG 3.38Å; D187-S191 PolarHBondContact O-N 3.16Å; Y188-S191 WeakPolarHBondContact O-CB 3.35Å; Y188-S191 PolarHBondContact O-N 3.16Å; S191-S194 PolarHBondContact O-OG 3.31Å |
| 192 | L | 72.9 | Confident | 72.7 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 175 | -159.2 | 67.8 | 0 | 0 | 0 | 113.8 | Y188 H189 R190 S194 F195 M391 H394 A395 F398 Y399 | Y188-L192 HydrophobicContact CE1-CD2 4.28Å; Y188-L192 PolarHBondContact O-N 2.9Å; H189-L192 WeakPolarHBondContact O-CB 3.38Å; H189-L192 PolarHBondContact O-N 3.36Å; R190-L192 PolarHBondContact O-N 2.9Å; L192-S194 VanDerWaalsContact C-N 3.25Å; L192-S194 PolarHBondContact O-N 2.91Å; L192-F195 WeakPolarHBondContact O-CD2 3.45Å; L192-F195 PolarHBondContact O-N 2.77Å; L192-M391 HydrophobicContact CB-CE 4.38Å; L192-M391 HydrophobicContact CD1-CE 3.98Å; L192-M391 WeakPolarHBondContact CD1-O 3.45Å; L192-H394 HydrophobicContact CD1-CB 3.58Å; L192-A395 HydrophobicContact CD1-CB 3.78Å; L192-A395 VanDerWaalsContact CD1-N 3.29Å; L192-A395 HydrophobicContact CG-CB 3.85Å; L192-F398 HydrophobicContact CD2-CB 3.88Å; L192-F398 HydrophobicContact CD2-CG 4.22Å; L192-Y399 HydrophobicContact CD2-CE2 4.49Å; L192-Y399 HydrophobicContact CG-CE2 4.44Å |
| 193 | R | 72.3 | Confident | 71.8 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70 | -23.4 | -177.9 | -163.2 | 178.4 | 175 | 139.3 | -1.9 | 113 | H189 R190 F195 L196 K199 Y399 | H189-R193 WeakPolarHBondContact O-CB 3.4Å; H189-R193 PolarHBondContact O-N 2.72Å; R190-R193 PolarHBondContact O-N 3.43Å; R190-R193 VanDerWaalsContact O-N 3.12Å; R193-F195 PolarHBondContact O-N 3.06Å; R193-F195 VanDerWaalsContact O-N 3.1Å; R193-L196 HydrophobicContact CG-CD1 3.85Å; R193-L196 WeakPolarHBondContact O-CB 3.38Å; R193-L196 PolarHBondContact O-N 3.06Å; R193-K199 PolarHBondContact NE-O 3.21Å; R193-Y399 WeakPolarHBondContact CB-OH 3.41Å |
| 194 | S | 68.3 | Low | 71.2 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 35% | 0.35 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.7 | 177.3 | 74.7 | 0 | 0 | 0 | 0 | 113.7 | H135 R190 S191 L192 L196 | H135-S194 PolarHBondContact CE1-OG 3.49Å; H135-S194 PolarHBondContact NE2-OG 3.11Å; R190-S194 PolarHBondContact O-N 3.33Å; R190-S194 VanDerWaalsContact O-N 3.16Å; S191-S194 PolarHBondContact O-OG 3.31Å; L192-S194 VanDerWaalsContact C-N 3.25Å; L192-S194 PolarHBondContact O-N 2.91Å; S194-L196 PolarHBondContact O-N 3.19Å |
| 195 | F | 62.6 | Low | 70.9 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7.4 | 174.6 | -67.7 | -90.2 | 0 | 0 | 0 | 113.5 | H135 L192 R193 P197 H387 N388 M391 A392 A395 | H135-F195 AromaticContact CD2-CE2 3.74Å; H135-F195 AromaticContact CD2-CZ 3.53Å; H135-F195 AromaticContact CG-CE2 3.93Å; H135-F195 AromaticContact NE2-CE2 3.85Å; H135-F195 AromaticContact NE2-CZ 3.92Å; L192-F195 WeakPolarHBondContact O-CD2 3.45Å; L192-F195 PolarHBondContact O-N 2.77Å; R193-F195 PolarHBondContact O-N 3.06Å; R193-F195 VanDerWaalsContact O-N 3.1Å; F195-P197 VanDerWaalsContact O-CD 3.22Å; F195-P197 WeakPolarHBondContact O-CD 3.26Å; F195-H387 AromaticContact CD1-CE1 3.94Å; F195-N388 HydrophobicContact CE1-CB 4.41Å; F195-N388 HydrophobicContact CZ-CB 4.08Å; F195-M391 HydrophobicContact CD2-CB 4.46Å; F195-M391 HydrophobicContact CE1-CB 4.46Å; F195-M391 HydrophobicContact CE2-CB 3.48Å; F195-M391 VanDerWaalsContact CE2-CB 3.48Å; F195-M391 HydrophobicContact CE2-CE 4.26Å; F195-M391 HydrophobicContact CZ-CB 3.48Å; F195-M391 VanDerWaalsContact CZ-CB 3.48Å; F195-A392 HydrophobicContact CD1-CB 3.94Å; F195-A392 HydrophobicContact CE1-CB 4.01Å; F195-A395 HydrophobicContact CB-CB 3.86Å; F195-A395 HydrophobicContact CD2-CB 4.39Å; F195-A395 HydrophobicContact CG-CB 4.27Å |
| 196 | L | 62.2 | Low | 70.6 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | trans | -93 | 102.1 | 174.8 | -72.4 | 157.1 | 0 | 0 | 0 | 110.5 | R193 S194 D198 K199 A200 P350 L352 Y399 | R193-L196 HydrophobicContact CG-CD1 3.85Å; R193-L196 WeakPolarHBondContact O-CB 3.38Å; R193-L196 PolarHBondContact O-N 3.06Å; S194-L196 PolarHBondContact O-N 3.19Å; L196-D198 VanDerWaalsContact C-N 3.27Å; L196-D198 PolarHBondContact O-N 3.31Å; L196-K199 HydrophobicContact CB-CB 4.33Å; L196-K199 PolarHBondContact O-N 3.03Å; L196-A200 WeakPolarHBondContact O-CA 3.08Å; L196-A200 WeakPolarHBondContact O-CB 3.3Å; L196-A200 PolarHBondContact O-N 2.88Å; L196-P350 HydrophobicContact CD1-CB 4.45Å; L196-P350 HydrophobicContact CD1-CG 3.96Å; L196-L352 HydrophobicContact CD2-CD2 3.67Å; L196-L352 HydrophobicContact CD2-CG 3.7Å; L196-Y399 HydrophobicContact CD1-CD1 4.18Å; L196-Y399 HydrophobicContact CD1-CD2 3.58Å; L196-Y399 HydrophobicContact CD1-CE1 4.1Å; L196-Y399 HydrophobicContact CD1-CE2 3.47Å; L196-Y399 VanDerWaalsContact CD1-CE2 3.47Å; L196-Y399 HydrophobicContact CD1-CG 3.93Å; L196-Y399 HydrophobicContact CD2-CD2 4.49Å; L196-Y399 HydrophobicContact CG-CD2 4.15Å; L196-Y399 HydrophobicContact CG-CE2 4.33Å | ||
| 197 | P | 55.6 | Low | 70.6 | Confident | 115 Ų | 115 | 51.3 Ų | 51.3 | 75% | 0.747 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -36.8 | -175.3 | 17.7 | -28.6 | 0 | 0 | 0 | 113.5 | F195 | F195-P197 VanDerWaalsContact O-CD 3.22Å; F195-P197 WeakPolarHBondContact O-CD 3.26Å |
| 198 | D | 55.2 | Low | 70.9 | Confident | 154 Ų | 154 | 52.7 Ų | 52.7 | 82% | 0.824 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -10.3 | -176.8 | -62.4 | -39.5 | 0 | 0 | 0 | 114.7 | L196 | L196-D198 VanDerWaalsContact C-N 3.27Å; L196-D198 PolarHBondContact O-N 3.31Å |
| 199 | K | 55.2 | Low | 71.2 | Confident | 103 Ų | 103 | 53.2 Ų | 53.2 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 19.8 | -175.3 | -65.3 | -165 | -179.9 | -169.1 | 0 | 113.9 | R193 L196 K201 P350 | R193-K199 PolarHBondContact NE-O 3.21Å; L196-K199 HydrophobicContact CB-CB 4.33Å; L196-K199 PolarHBondContact O-N 3.03Å; K199-K201 PolarHBondContact O-N 2.92Å; K199-P350 HydrophobicContact CB-CB 4.34Å; K199-P350 HydrophobicContact CD-CB 3.43Å; K199-P350 VanDerWaalsContact CD-CB 3.43Å; K199-P350 HydrophobicContact CG-CB 4.47Å |
| 200 | A | 56.7 | Low | 71.5 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | trans | -52.1 | -32 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L196 | L196-A200 WeakPolarHBondContact O-CA 3.08Å; L196-A200 WeakPolarHBondContact O-CB 3.3Å; L196-A200 PolarHBondContact O-N 2.88Å | ||
| 201 | K | 59.9 | Low | 72.1 | Confident | 137 Ų | 137 | 53 Ų | 53 | 60% | 0.596 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -87.3 | 114.8 | 177.1 | -67.9 | -173.4 | 179.2 | -178.6 | 0 | 111.6 | S7 K199 | S7-K201 WeakPolarHBondContact OG-CE 3.49Å; S7-K201 PolarHBondContact OG-NZ 2.86Å; K199-K201 PolarHBondContact O-N 2.92Å |
| 202 | Q | 64.5 | Low | 72.9 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | trans | -74.7 | 122.2 | 169.1 | -170 | 171.8 | 17.9 | 0 | 0 | 110.1 | S206 A207 | Q202-S206 PolarHBondContact NE2-O 3.05Å; Q202-S206 PolarHBondContact NE2-OG 2.91Å; Q202-A207 HydrophobicContact CG-CB 4.01Å; Q202-A207 VanDerWaalsContact NE2-CA 3.26Å | ||
| 203 | G | 72.5 | Confident | 73.9 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | trans | -64.7 | 149.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G205 S206 A207 | G203-G205 VanDerWaalsContact C-N 3.29Å; G203-G205 PolarHBondContact O-N 3.19Å; G203-S206 WeakPolarHBondContact O-CB 3.2Å; G203-S206 PolarHBondContact O-N 3.18Å; G203-A207 PolarHBondContact O-N 2.81Å | ||
| 204 | W | 73.9 | Confident | 74.9 | Confident | 183 Ų | 183 | 54 Ų | 54 | 69% | 0.693 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.8 | -41.8 | -176.5 | -172.2 | 78.6 | 0 | 0 | 0 | 112.9 | S206 A207 L208 | W204-S206 PolarHBondContact O-N 2.76Å; W204-A207 PolarHBondContact O-N 2.95Å; W204-L208 HydrophobicContact CH2-CD2 4.01Å; W204-L208 HydrophobicContact CZ3-CD2 4.05Å; W204-L208 WeakPolarHBondContact O-CB 3.21Å; W204-L208 PolarHBondContact O-N 3.42Å |
| 205 | G | 81.6 | Confident | 76.1 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 32% | 0.32 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | G203 L208 V209 | G203-G205 VanDerWaalsContact C-N 3.29Å; G203-G205 PolarHBondContact O-N 3.19Å; G205-L208 PolarHBondContact O-N 2.99Å; G205-V209 WeakPolarHBondContact O-CG2 3.33Å; G205-V209 PolarHBondContact O-N 2.89Å |
| 206 | S | 83.6 | Confident | 77.7 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | Q202 G203 W204 Y210 Y344 | Q202-S206 PolarHBondContact NE2-O 3.05Å; Q202-S206 PolarHBondContact NE2-OG 2.91Å; G203-S206 WeakPolarHBondContact O-CB 3.2Å; G203-S206 PolarHBondContact O-N 3.18Å; W204-S206 PolarHBondContact O-N 2.76Å; S206-Y210 VanDerWaalsContact O-CB 3.24Å; S206-Y210 WeakPolarHBondContact O-CB 3.41Å; S206-Y210 PolarHBondContact O-N 3.42Å; S206-Y344 WeakPolarHBondContact OG-CE2 3.24Å |
| 207 | A | 84.9 | Confident | 79.3 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q202 G203 W204 Y210 F211 | Q202-A207 HydrophobicContact CG-CB 4.01Å; Q202-A207 VanDerWaalsContact NE2-CA 3.26Å; G203-A207 PolarHBondContact O-N 2.81Å; W204-A207 PolarHBondContact O-N 2.95Å; A207-Y210 CarbonylContact O-C 3.51Å; A207-Y210 PolarHBondContact O-N 2.95Å; A207-F211 WeakPolarHBondContact O-CB 3.45Å; A207-F211 PolarHBondContact O-N 3.49Å |
| 208 | L | 87.8 | Confident | 81.2 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 35% | 0.351 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 177.9 | -179.1 | 61.8 | 0 | 0 | 0 | 111.9 | W204 G205 Y210 F211 L212 | W204-L208 HydrophobicContact CH2-CD2 4.01Å; W204-L208 HydrophobicContact CZ3-CD2 4.05Å; W204-L208 WeakPolarHBondContact O-CB 3.21Å; W204-L208 PolarHBondContact O-N 3.42Å; G205-L208 PolarHBondContact O-N 2.99Å; L208-Y210 VanDerWaalsContact C-N 3.32Å; L208-Y210 PolarHBondContact O-N 3.15Å; L208-F211 WeakPolarHBondContact O-CB 3.45Å; L208-F211 PolarHBondContact O-N 2.91Å; L208-F211 VanDerWaalsContact O-N 3.13Å; L208-L212 HydrophobicContact CD1-CD1 4.23Å; L208-L212 HydrophobicContact CD1-CG 4.24Å; L208-L212 HydrophobicContact CG-CD1 4.05Å; L208-L212 HydrophobicContact CG-CG 4.46Å; L208-L212 WeakPolarHBondContact O-CB 2.98Å; L208-L212 VanDerWaalsContact O-CG 3.3Å; L208-L212 WeakPolarHBondContact O-CG 3.11Å; L208-L212 PolarHBondContact O-N 2.93Å |
| 209 | V | 89.4 | Confident | 83.1 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 176 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | G205 F211 L212 W213 F340 Y344 F348 | G205-V209 WeakPolarHBondContact O-CG2 3.33Å; G205-V209 PolarHBondContact O-N 2.89Å; V209-F211 VanDerWaalsContact C-N 3.26Å; V209-F211 PolarHBondContact O-N 2.99Å; V209-L212 PolarHBondContact O-N 3.42Å; V209-W213 PolarHBondContact O-N 3.26Å; V209-F340 HydrophobicContact CG1-CD1 4.33Å; V209-Y344 HydrophobicContact CG1-CD2 4.41Å; V209-F348 HydrophobicContact CG2-CD2 4.46Å; V209-F348 HydrophobicContact CG2-CE2 3.99Å |
| 210 | Y | 88.7 | Confident | 85 | Confident | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.1 | -19.7 | 174.6 | -165.1 | -86.7 | 0 | 0 | 0 | 113.7 | V185 V186 H189 S206 A207 L208 W213 N214 Y344 F398 | V185-Y210 HydrophobicContact CG1-CE1 3.98Å; V186-Y210 HydrophobicContact CB-CD1 4.46Å; V186-Y210 HydrophobicContact CG2-CD1 3.88Å; H189-Y210 HydrophobicContact CB-CD1 4.04Å; H189-Y210 HydrophobicContact CB-CE1 3.37Å; H189-Y210 HydrophobicContact CB-CE2 4.33Å; H189-Y210 AromaticContact CD2-CE2 3.99Å; H189-Y210 AromaticContact CE1-CE2 3.75Å; H189-Y210 AromaticContact CG-CE1 3.62Å; H189-Y210 AromaticContact CG-CE2 3.69Å; H189-Y210 AromaticContact CG-CZ 3.41Å; H189-Y210 VanDerWaalsContact CG-CZ 3.41Å; H189-Y210 AromaticContact ND1-CE2 3.55Å; H189-Y210 AromaticContact ND1-CZ 3.51Å; S206-Y210 VanDerWaalsContact O-CB 3.24Å; S206-Y210 WeakPolarHBondContact O-CB 3.41Å; S206-Y210 PolarHBondContact O-N 3.42Å; A207-Y210 CarbonylContact O-C 3.51Å; A207-Y210 PolarHBondContact O-N 2.95Å; L208-Y210 VanDerWaalsContact C-N 3.32Å; L208-Y210 PolarHBondContact O-N 3.15Å; Y210-W213 VanDerWaalsContact C-NE1 3.34Å; Y210-W213 AromaticContact CD1-NE1 3.78Å; Y210-W213 AromaticContact CD2-CE2 3.61Å; Y210-W213 HydrophobicContact CD2-CH2 4.44Å; Y210-W213 AromaticContact CD2-CZ2 3.52Å; Y210-W213 HydrophobicContact CD2-CZ2 3.52Å; Y210-W213 AromaticContact CD2-NE1 3.49Å; Y210-W213 HydrophobicContact CE1-CZ2 4.36Å; Y210-W213 AromaticContact CE2-CE2 3.68Å; Y210-W213 AromaticContact CE2-CH2 3.95Å; Y210-W213 HydrophobicContact CE2-CH2 3.95Å; Y210-W213 AromaticContact CE2-CZ2 3.09Å; Y210-W213 HydrophobicContact CE2-CZ2 3.09Å; Y210-W213 AromaticContact CE2-NE1 3.85Å; Y210-W213 HydrophobicContact CG-CZ2 4.33Å; Y210-W213 AromaticContact CG-NE1 3.47Å; Y210-W213 AromaticContact CZ-CZ2 3.56Å; Y210-W213 PolarHBondContact O-NE1 3.02Å; Y210-N214 VanDerWaalsContact CE1-ND2 3.32Å; Y210-N214 WeakPolarHBondContact CE1-ND2 3.35Å; Y210-N214 PolarHBondContact O-ND2 2.87Å; Y210-Y344 HydrophobicContact CD2-CD2 4.12Å; Y210-Y344 HydrophobicContact CD2-CE1 4.18Å; Y210-Y344 AromaticContact CD2-CE2 3.67Å; Y210-Y344 HydrophobicContact CD2-CE2 3.67Å; Y210-Y344 AromaticContact CD2-CZ 3.72Å; Y210-Y344 HydrophobicContact CG-CE2 4.2Å; Y210-F398 HydrophobicContact CE2-CZ 4.11Å |
| 211 | F | 91.1 | Very high | 86.9 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -79 | -50 | 169.4 | 172.9 | -98.6 | 0 | 0 | 0 | 110.1 | T179 A182 W183 V186 A207 L208 V209 N214 L215 | T179-F211 HydrophobicContact CG2-CE2 4.06Å; T179-F211 HydrophobicContact CG2-CZ 3.61Å; A182-F211 HydrophobicContact CB-CD2 3.97Å; A182-F211 HydrophobicContact CB-CE2 3.67Å; A182-F211 HydrophobicContact CB-CZ 4.36Å; W183-F211 HydrophobicContact CB-CE2 4.39Å; W183-F211 HydrophobicContact CE3-CD2 4.46Å; V186-F211 HydrophobicContact CG2-CB 3.77Å; V186-F211 HydrophobicContact CG2-CD2 4.12Å; V186-F211 HydrophobicContact CG2-CG 4.47Å; A207-F211 WeakPolarHBondContact O-CB 3.45Å; A207-F211 PolarHBondContact O-N 3.49Å; L208-F211 WeakPolarHBondContact O-CB 3.45Å; L208-F211 PolarHBondContact O-N 2.91Å; L208-F211 VanDerWaalsContact O-N 3.13Å; V209-F211 VanDerWaalsContact C-N 3.26Å; V209-F211 PolarHBondContact O-N 2.99Å; F211-N214 PolarHBondContact O-N 3.29Å; F211-L215 HydrophobicContact CE1-CD2 3.91Å; F211-L215 HydrophobicContact CZ-CD2 4.19Å; F211-L215 WeakPolarHBondContact O-CB 3.19Å; F211-L215 PolarHBondContact O-N 3.33Å |
| 212 | L | 92.9 | Very high | 88.6 | Confident | 50 Ų | 50 | 28.9 Ų | 28.9 | 26% | 0.262 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.7 | -45.5 | -175.6 | -71.9 | 172.4 | 0 | 0 | 0 | 113.1 | L208 V209 N214 L215 L216 | L208-L212 HydrophobicContact CD1-CD1 4.23Å; L208-L212 HydrophobicContact CD1-CG 4.24Å; L208-L212 HydrophobicContact CG-CD1 4.05Å; L208-L212 HydrophobicContact CG-CG 4.46Å; L208-L212 WeakPolarHBondContact O-CB 2.98Å; L208-L212 VanDerWaalsContact O-CG 3.3Å; L208-L212 WeakPolarHBondContact O-CG 3.11Å; L208-L212 PolarHBondContact O-N 2.93Å; V209-L212 PolarHBondContact O-N 3.42Å; L212-N214 VanDerWaalsContact C-N 3.3Å; L212-N214 PolarHBondContact O-N 3.3Å; L212-L215 PolarHBondContact O-N 3.03Å; L212-L216 VanDerWaalsContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CB 3.35Å; L212-L216 WeakPolarHBondContact O-CD1 3.42Å; L212-L216 WeakPolarHBondContact O-CG 3.39Å; L212-L216 PolarHBondContact O-N 2.85Å |
| 213 | W | 92.6 | Very high | 90 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 178.4 | 78.7 | -37.6 | 0 | 0 | 0 | 112.3 | V209 Y210 L217 F340 K341 Y345 | V209-W213 PolarHBondContact O-N 3.26Å; Y210-W213 VanDerWaalsContact C-NE1 3.34Å; Y210-W213 AromaticContact CD1-NE1 3.78Å; Y210-W213 AromaticContact CD2-CE2 3.61Å; Y210-W213 HydrophobicContact CD2-CH2 4.44Å; Y210-W213 AromaticContact CD2-CZ2 3.52Å; Y210-W213 HydrophobicContact CD2-CZ2 3.52Å; Y210-W213 AromaticContact CD2-NE1 3.49Å; Y210-W213 HydrophobicContact CE1-CZ2 4.36Å; Y210-W213 AromaticContact CE2-CE2 3.68Å; Y210-W213 AromaticContact CE2-CH2 3.95Å; Y210-W213 HydrophobicContact CE2-CH2 3.95Å; Y210-W213 AromaticContact CE2-CZ2 3.09Å; Y210-W213 HydrophobicContact CE2-CZ2 3.09Å; Y210-W213 AromaticContact CE2-NE1 3.85Å; Y210-W213 HydrophobicContact CG-CZ2 4.33Å; Y210-W213 AromaticContact CG-NE1 3.47Å; Y210-W213 AromaticContact CZ-CZ2 3.56Å; Y210-W213 PolarHBondContact O-NE1 3.02Å; W213-L217 WeakPolarHBondContact O-CB 3.38Å; W213-L217 WeakPolarHBondContact O-CD1 3.35Å; W213-L217 WeakPolarHBondContact O-CG 3.23Å; W213-L217 PolarHBondContact O-N 3.16Å; W213-L217 VanDerWaalsContact O-N 3.08Å; W213-F340 HydrophobicContact CB-CB 3.75Å; W213-K341 HydrophobicContact CD2-CB 4.43Å; W213-K341 HydrophobicContact CE3-CB 3.36Å; W213-K341 HydrophobicContact CE3-CD 3.57Å; W213-K341 HydrophobicContact CE3-CG 3.38Å; W213-K341 HydrophobicContact CZ3-CB 3.94Å; W213-K341 HydrophobicContact CZ3-CD 3.35Å; W213-K341 HydrophobicContact CZ3-CG 3.36Å; W213-Y345 HydrophobicContact CH2-CE2 4.1Å; W213-Y345 AromaticContact CZ3-CE2 3.8Å; W213-Y345 HydrophobicContact CZ3-CE2 3.8Å |
| 214 | N | 93.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72 | -45.6 | 179.8 | -84.9 | -48.7 | 0 | 0 | 0 | 109.7 | A182 V185 Y210 F211 L212 L216 L217 I218 | A182-N214 HydrophobicContact CB-CB 4.36Å; V185-N214 VanDerWaalsContact CG1-ND2 3.32Å; V185-N214 WeakPolarHBondContact CG1-ND2 3.47Å; Y210-N214 VanDerWaalsContact CE1-ND2 3.32Å; Y210-N214 WeakPolarHBondContact CE1-ND2 3.35Å; Y210-N214 PolarHBondContact O-ND2 2.87Å; F211-N214 PolarHBondContact O-N 3.29Å; L212-N214 VanDerWaalsContact C-N 3.3Å; L212-N214 PolarHBondContact O-N 3.3Å; N214-L216 VanDerWaalsContact C-N 3.29Å; N214-L216 PolarHBondContact O-N 3.49Å; N214-L217 PolarHBondContact O-N 3.38Å; N214-I218 HydrophobicContact CB-CD1 4.4Å; N214-I218 WeakPolarHBondContact O-CB 3.4Å; N214-I218 VanDerWaalsContact O-CG1 3.23Å; N214-I218 WeakPolarHBondContact O-CG1 3.36Å; N214-I218 PolarHBondContact O-N 3.07Å |
| 215 | L | 94.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 18.4 Ų | 18.4 | 18% | 0.183 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55 | -47 | 175 | -177.2 | 67.6 | 0 | 0 | 0 | 111.1 | T178 A182 F211 L212 L217 A219 | T178-L215 HydrophobicContact CG2-CD1 3.84Å; A182-L215 HydrophobicContact CB-CB 4.03Å; A182-L215 HydrophobicContact CB-CD1 4.28Å; F211-L215 HydrophobicContact CE1-CD2 3.91Å; F211-L215 HydrophobicContact CZ-CD2 4.19Å; F211-L215 WeakPolarHBondContact O-CB 3.19Å; F211-L215 PolarHBondContact O-N 3.33Å; L212-L215 PolarHBondContact O-N 3.03Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 2.83Å; L215-A219 WeakPolarHBondContact O-CB 3.48Å; L215-A219 PolarHBondContact O-N 3.48Å |
| 216 | L | 95.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 16.9 Ų | 16.9 | 18% | 0.183 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -76 | -13.7 | -177.2 | -65.6 | 169.2 | 0 | 0 | 0 | 114.2 | L212 N214 P220 T333 M336 F340 | L212-L216 VanDerWaalsContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CB 3.35Å; L212-L216 WeakPolarHBondContact O-CD1 3.42Å; L212-L216 WeakPolarHBondContact O-CG 3.39Å; L212-L216 PolarHBondContact O-N 2.85Å; N214-L216 VanDerWaalsContact C-N 3.29Å; N214-L216 PolarHBondContact O-N 3.49Å; L216-P220 WeakPolarHBondContact O-CD 3.47Å; L216-P220 WeakPolarHBondContact O-CG 3.14Å; L216-T333 HydrophobicContact CB-CG2 4.31Å; L216-T333 HydrophobicContact CD2-CG2 3.58Å; L216-M336 HydrophobicContact CD1-CB 4.44Å; L216-M336 HydrophobicContact CD1-CG 3.98Å; L216-F340 HydrophobicContact CD1-CD2 3.38Å; L216-F340 HydrophobicContact CD1-CE2 3.56Å |
| 217 | L | 95 | Very high | 93.4 | Very high | 9 Ų | 9 | 16.8 Ų | 16.8 | 5% | 0.047 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -94 | -41 | 172.4 | -70.5 | 172.1 | 0 | 0 | 0 | 111.7 | W213 N214 L215 R221 Y334 V338 | W213-L217 WeakPolarHBondContact O-CB 3.38Å; W213-L217 WeakPolarHBondContact O-CD1 3.35Å; W213-L217 WeakPolarHBondContact O-CG 3.23Å; W213-L217 PolarHBondContact O-N 3.16Å; W213-L217 VanDerWaalsContact O-N 3.08Å; N214-L217 PolarHBondContact O-N 3.38Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 2.83Å; L217-R221 WeakPolarHBondContact O-CB 3.43Å; L217-Y334 HydrophobicContact CD2-CD2 3.8Å; L217-Y334 HydrophobicContact CD2-CE1 4.45Å; L217-Y334 HydrophobicContact CD2-CE2 3.69Å; L217-Y334 HydrophobicContact CD2-CG 4.26Å; L217-V338 HydrophobicContact CD2-CG2 3.86Å |
| 218 | I | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -74.3 | -45.3 | -177.6 | -64 | 171.4 | 0 | 0 | 0 | 110.9 | F146 T178 I181 V185 N214 R221 V222 | F146-I218 HydrophobicContact CE1-CD1 4.31Å; F146-I218 HydrophobicContact CZ-CD1 4.15Å; T178-I218 HydrophobicContact CG2-CG2 4.35Å; I181-I218 HydrophobicContact CG2-CD1 3.85Å; I181-I218 HydrophobicContact CG2-CG2 4.23Å; V185-I218 HydrophobicContact CG2-CD1 4.45Å; N214-I218 HydrophobicContact CB-CD1 4.4Å; N214-I218 WeakPolarHBondContact O-CB 3.4Å; N214-I218 VanDerWaalsContact O-CG1 3.23Å; N214-I218 WeakPolarHBondContact O-CG1 3.36Å; N214-I218 PolarHBondContact O-N 3.07Å; I218-R221 WeakPolarHBondContact O-CB 3.42Å; I218-R221 PolarHBondContact O-N 2.95Å; I218-V222 HydrophobicContact CG2-CG2 4.03Å; I218-V222 WeakPolarHBondContact O-CG2 3.43Å; I218-V222 PolarHBondContact O-N 3.41Å |
| 219 | A | 95.3 | Very high | 94.1 | Very high | 31 Ų | 31 | 14.1 Ų | 14.1 | 26% | 0.256 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -55 | -54.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T178 L215 R221 V222 A223 | T178-A219 HydrophobicContact CG2-CB 3.85Å; L215-A219 WeakPolarHBondContact O-CB 3.48Å; L215-A219 PolarHBondContact O-N 3.48Å; A219-R221 VanDerWaalsContact C-N 3.28Å; A219-R221 PolarHBondContact O-N 2.84Å; A219-V222 PolarHBondContact O-N 3.48Å; A219-A223 WeakPolarHBondContact O-CB 3.36Å; A219-A223 PolarHBondContact O-N 2.93Å |
| 220 | P | 95.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 15 Ų | 15 | 5% | 0.045 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.2 | -28.5 | -179.9 | 27.2 | -35.4 | 0 | 0 | 0 | 112.9 | L216 A224 L330 T333 Y334 | L216-P220 WeakPolarHBondContact O-CD 3.47Å; L216-P220 WeakPolarHBondContact O-CG 3.14Å; P220-A224 VanDerWaalsContact O-CB 3.25Å; P220-A224 WeakPolarHBondContact O-CB 3.48Å; P220-A224 PolarHBondContact O-N 3.32Å; P220-L330 HydrophobicContact CB-CB 4.29Å; P220-L330 HydrophobicContact CB-CD2 4.14Å; P220-L330 WeakPolarHBondContact CB-O 3.31Å; P220-T333 HydrophobicContact CG-CG2 4.16Å; P220-Y334 HydrophobicContact CG-CD2 4.15Å |
| 221 | R | 96 | Very high | 94.3 | Very high | 10 Ų | 10 | 16 Ų | 16 | 4% | 0.038 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -52.5 | 174.9 | 176.4 | 55.4 | 178.4 | 176.8 | 0.2 | 111.3 | L217 I218 A219 A223 A224 V225 Y277 M299 D302 | L217-R221 WeakPolarHBondContact O-CB 3.43Å; I218-R221 WeakPolarHBondContact O-CB 3.42Å; I218-R221 PolarHBondContact O-N 2.95Å; A219-R221 VanDerWaalsContact C-N 3.28Å; A219-R221 PolarHBondContact O-N 2.84Å; R221-A223 VanDerWaalsContact C-N 3.31Å; R221-A223 PolarHBondContact O-N 2.99Å; R221-A224 PolarHBondContact O-N 3.01Å; R221-V225 WeakPolarHBondContact O-CG2 3.32Å; R221-V225 PolarHBondContact O-N 3.33Å; R221-Y277 PolarHBondContact NE-O 3.36Å; R221-Y277 VanDerWaalsContact NH2-CE2 3.29Å; R221-M299 VanDerWaalsContact CZ-CE 3.43Å; R221-D302 IonicContact CZ-OD2 3.16Å; R221-D302 IonicContact NH1-OD2 2.64Å; R221-D302 PolarHBondContact NH1-OD2 3.26Å; R221-D302 IonicContact NH2-OD2 2.8Å; R221-D302 PolarHBondContact NH2-OD2 3.48Å |
| 222 | V | 95.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 177.6 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | L153 I218 A219 V225 A226 F278 | L153-V222 HydrophobicContact CD2-CG1 4.07Å; L153-V222 HydrophobicContact CG-CG1 3.9Å; I218-V222 HydrophobicContact CG2-CG2 4.03Å; I218-V222 WeakPolarHBondContact O-CG2 3.43Å; I218-V222 PolarHBondContact O-N 3.41Å; A219-V222 PolarHBondContact O-N 3.48Å; V222-V225 PolarHBondContact O-N 3.14Å; V222-A226 VanDerWaalsContact O-CB 3.28Å; V222-A226 WeakPolarHBondContact O-CB 3.32Å; V222-A226 PolarHBondContact O-N 3.24Å; V222-F278 HydrophobicContact CG2-CD1 4.18Å; V222-F278 HydrophobicContact CG2-CE1 4.45Å |
| 223 | A | 95.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 17.4 Ų | 17.4 | 19% | 0.19 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A219 R221 A226 L227 L330 | A219-A223 WeakPolarHBondContact O-CB 3.36Å; A219-A223 PolarHBondContact O-N 2.93Å; R221-A223 VanDerWaalsContact C-N 3.31Å; R221-A223 PolarHBondContact O-N 2.99Å; A223-A226 PolarHBondContact O-N 2.8Å; A223-L227 WeakPolarHBondContact O-CB 3.12Å; A223-L227 VanDerWaalsContact O-CG 3.28Å; A223-L227 WeakPolarHBondContact O-CG 3.42Å; A223-L227 PolarHBondContact O-N 3.13Å; A223-L330 HydrophobicContact CB-CD1 4.23Å; A223-L330 HydrophobicContact CB-CD2 3.68Å |
| 224 | A | 96.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.033 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P220 R221 L227 F228 L307 | P220-A224 VanDerWaalsContact O-CB 3.25Å; P220-A224 WeakPolarHBondContact O-CB 3.48Å; P220-A224 PolarHBondContact O-N 3.32Å; R221-A224 PolarHBondContact O-N 3.01Å; A224-L227 PolarHBondContact O-N 3.4Å; A224-F228 PolarHBondContact O-N 3.07Å; A224-L307 HydrophobicContact CB-CD2 4.1Å; A224-L307 HydrophobicContact CB-CG 4.29Å |
| 225 | V | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | T154 R221 V222 F228 A229 L236 Y277 L306 | T154-V225 HydrophobicContact CG2-CB 3.93Å; T154-V225 HydrophobicContact CG2-CG1 3.56Å; R221-V225 WeakPolarHBondContact O-CG2 3.32Å; R221-V225 PolarHBondContact O-N 3.33Å; V222-V225 PolarHBondContact O-N 3.14Å; V225-F228 PolarHBondContact O-N 3.17Å; V225-A229 WeakPolarHBondContact O-CB 3.34Å; V225-A229 PolarHBondContact O-N 3.41Å; V225-L236 HydrophobicContact CG1-CD1 3.42Å; V225-L236 VanDerWaalsContact CG1-CD1 3.42Å; V225-Y277 HydrophobicContact CG2-CE1 4.24Å; V225-L306 HydrophobicContact CG2-CD1 3.9Å |
| 226 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | T154 T157 H158 L161 V222 A223 A229 T230 | T154-A226 HydrophobicContact CG2-CB 4.33Å; T157-A226 HydrophobicContact CG2-CB 3.58Å; H158-A226 HydrophobicContact CB-CB 4.36Å; L161-A226 HydrophobicContact CD1-CB 4.21Å; V222-A226 VanDerWaalsContact O-CB 3.28Å; V222-A226 WeakPolarHBondContact O-CB 3.32Å; V222-A226 PolarHBondContact O-N 3.24Å; A223-A226 PolarHBondContact O-N 2.8Å; A226-A229 WeakPolarHBondContact O-CB 3.35Å; A226-A229 PolarHBondContact O-N 3.38Å; A226-T230 WeakPolarHBondContact O-CG2 3.4Å; A226-T230 PolarHBondContact O-N 3.15Å |
| 227 | L | 94.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -49 | 173.9 | -76.1 | 167.1 | 0 | 0 | 0 | 110.7 | L161 A223 A224 A229 T230 L307 W310 L326 L330 | L161-L227 HydrophobicContact CD1-CD2 3.8Å; L161-L227 HydrophobicContact CD1-CG 4.05Å; L161-L227 HydrophobicContact CD2-CD2 4.45Å; A223-L227 WeakPolarHBondContact O-CB 3.12Å; A223-L227 VanDerWaalsContact O-CG 3.28Å; A223-L227 WeakPolarHBondContact O-CG 3.42Å; A223-L227 PolarHBondContact O-N 3.13Å; A224-L227 PolarHBondContact O-N 3.4Å; L227-A229 VanDerWaalsContact C-N 3.27Å; L227-A229 PolarHBondContact O-N 3.42Å; L227-T230 WeakPolarHBondContact O-CB 3.4Å; L227-T230 PolarHBondContact O-N 2.75Å; L227-T230 PolarHBondContact O-OG1 2.74Å; L227-L307 HydrophobicContact CD1-CD2 3.96Å; L227-W310 HydrophobicContact CB-CD2 4.26Å; L227-W310 HydrophobicContact CB-CG 4.02Å; L227-W310 HydrophobicContact CD2-CD2 4.19Å; L227-W310 HydrophobicContact CD2-CH2 4.22Å; L227-W310 HydrophobicContact CD2-CZ2 3.66Å; L227-L326 HydrophobicContact CD1-CD1 4.26Å; L227-L326 HydrophobicContact CD2-CD1 4.08Å; L227-L330 HydrophobicContact CD1-CD1 3.58Å |
| 228 | F | 94.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 33 Ų | 33 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -41.6 | 175 | 175.6 | -102.4 | 0 | 0 | 0 | 112.3 | A224 V225 T230 I231 L232 H239 L306 T309 | A224-F228 PolarHBondContact O-N 3.07Å; V225-F228 PolarHBondContact O-N 3.17Å; F228-T230 PolarHBondContact O-N 3.35Å; F228-I231 HydrophobicContact CD2-CD1 4.27Å; F228-I231 WeakPolarHBondContact O-CG1 3.27Å; F228-I231 PolarHBondContact O-N 3.02Å; F228-L232 HydrophobicContact CE2-CD1 4.14Å; F228-L232 HydrophobicContact CZ-CB 4.33Å; F228-L232 HydrophobicContact CZ-CD1 4.38Å; F228-L232 PolarHBondContact O-N 3.46Å; F228-H239 HydrophobicContact CE1-CB 4.17Å; F228-L306 HydrophobicContact CB-CB 4.25Å; F228-L306 HydrophobicContact CB-CD2 3.9Å; F228-L306 HydrophobicContact CD1-CD2 3.92Å; F228-L306 HydrophobicContact CD2-CD2 3.81Å; F228-L306 HydrophobicContact CE1-CD2 4.41Å; F228-L306 HydrophobicContact CE2-CD2 4.31Å; F228-L306 HydrophobicContact CG-CD2 3.59Å; F228-T309 HydrophobicContact CD2-CG2 4.33Å; F228-T309 HydrophobicContact CE2-CG2 4Å |
| 229 | A | 93 | Very high | 92.5 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -25.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H158 V225 A226 L227 I231 P233 L236 | H158-A229 HydrophobicContact CB-CB 4.15Å; H158-A229 VanDerWaalsContact CE1-C 3.45Å; H158-A229 PolarHBondContact CE1-O 2.81Å; H158-A229 PolarHBondContact ND1-O 2.84Å; V225-A229 WeakPolarHBondContact O-CB 3.34Å; V225-A229 PolarHBondContact O-N 3.41Å; A226-A229 WeakPolarHBondContact O-CB 3.35Å; A226-A229 PolarHBondContact O-N 3.38Å; L227-A229 VanDerWaalsContact C-N 3.27Å; L227-A229 PolarHBondContact O-N 3.42Å; A229-I231 VanDerWaalsContact C-N 3.31Å; A229-I231 PolarHBondContact O-N 2.83Å; A229-P233 WeakPolarHBondContact O-CA 3.38Å; A229-P233 WeakPolarHBondContact O-CD 3.39Å; A229-L236 HydrophobicContact CB-CD2 4.07Å |
| 230 | T | 91.8 | Very high | 92.4 | Very high | 34 Ų | 34 | 35 Ų | 35 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -30.4 | 176.8 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | H158 L161 A226 L227 F228 W310 | H158-T230 PolarHBondContact ND1-N 2.95Å; L161-T230 HydrophobicContact CB-CG2 3.64Å; L161-T230 HydrophobicContact CD1-CG2 4.39Å; A226-T230 WeakPolarHBondContact O-CG2 3.4Å; A226-T230 PolarHBondContact O-N 3.15Å; L227-T230 WeakPolarHBondContact O-CB 3.4Å; L227-T230 PolarHBondContact O-N 2.75Å; L227-T230 PolarHBondContact O-OG1 2.74Å; F228-T230 PolarHBondContact O-N 3.35Å; T230-W310 PolarHBondContact OG1-NE1 3.06Å |
| 231 | I | 90.9 | Very high | 92.3 | Very high | 35 Ų | 35 | 40 Ų | 40 | 18% | 0.179 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -92.8 | -36.6 | -179.6 | 56.7 | 153 | 0 | 0 | 0 | 112.2 | F228 A229 T309 Y313 | F228-I231 HydrophobicContact CD2-CD1 4.27Å; F228-I231 WeakPolarHBondContact O-CG1 3.27Å; F228-I231 PolarHBondContact O-N 3.02Å; A229-I231 VanDerWaalsContact C-N 3.31Å; A229-I231 PolarHBondContact O-N 2.83Å; I231-T309 HydrophobicContact CD1-CG2 3.93Å; I231-Y313 HydrophobicContact CD1-CD2 4.4Å; I231-Y313 HydrophobicContact CD1-CG 4.47Å |
| 232 | L | 88.8 | Confident | 92.2 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | trans | -140.3 | 64.7 | -169.2 | -67.7 | 175.3 | 0 | 0 | 0 | 110.4 | F228 S234 Y235 L236 T309 | F228-L232 HydrophobicContact CE2-CD1 4.14Å; F228-L232 HydrophobicContact CZ-CB 4.33Å; F228-L232 HydrophobicContact CZ-CD1 4.38Å; F228-L232 PolarHBondContact O-N 3.46Å; L232-S234 VanDerWaalsContact C-N 3.27Å; L232-S234 PolarHBondContact O-N 3.13Å; L232-Y235 HydrophobicContact CB-CD2 3.91Å; L232-Y235 HydrophobicContact CB-CG 4.4Å; L232-Y235 HydrophobicContact CD1-CD2 4.39Å; L232-Y235 HydrophobicContact CD2-CD2 3.88Å; L232-Y235 HydrophobicContact CD2-CE2 4.12Å; L232-Y235 HydrophobicContact CG-CD2 4.27Å; L232-Y235 PolarHBondContact O-N 3.23Å; L232-L236 PolarHBondContact O-N 3.01Å; L232-T309 HydrophobicContact CD1-CG2 4.5Å | ||
| 233 | P | 85.5 | Confident | 92.2 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | -175.8 | 22.9 | -32.8 | 0 | 0 | 0 | 112.4 | W46 A229 Y235 L236 | W46-P233 HydrophobicContact CH2-CB 4.14Å; A229-P233 WeakPolarHBondContact O-CA 3.38Å; A229-P233 WeakPolarHBondContact O-CD 3.39Å; P233-Y235 PolarHBondContact O-N 2.85Å; P233-L236 WeakPolarHBondContact O-CB 3.32Å; P233-L236 PolarHBondContact O-N 2.91Å |
| 234 | S | 82.9 | Confident | 92.3 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 73% | 0.734 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.7 | -25.4 | 177.8 | -47.9 | 0 | 0 | 0 | 0 | 113.6 | L232 | L232-S234 VanDerWaalsContact C-N 3.27Å; L232-S234 PolarHBondContact O-N 3.13Å |
| 235 | Y | 89.1 | Confident | 92.3 | Very high | 145 Ų | 145 | 50.4 Ų | 50.4 | 57% | 0.569 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -90.8 | -6.2 | -180 | -69 | -88.8 | 0 | 0 | 0 | 113.2 | L232 P233 A237 A238 H239 | L232-Y235 HydrophobicContact CB-CD2 3.91Å; L232-Y235 HydrophobicContact CB-CG 4.4Å; L232-Y235 HydrophobicContact CD1-CD2 4.39Å; L232-Y235 HydrophobicContact CD2-CD2 3.88Å; L232-Y235 HydrophobicContact CD2-CE2 4.12Å; L232-Y235 HydrophobicContact CG-CD2 4.27Å; L232-Y235 PolarHBondContact O-N 3.23Å; P233-Y235 PolarHBondContact O-N 2.85Å; Y235-A237 VanDerWaalsContact C-N 3.32Å; Y235-A237 PolarHBondContact O-N 2.8Å; Y235-A238 PolarHBondContact O-N 2.94Å; Y235-H239 WeakPolarHBondContact O-CB 3.26Å; Y235-H239 PolarHBondContact O-N 3.45Å |
| 236 | L | 89.9 | Confident | 92.3 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 174.1 | 177.5 | 62.4 | 0 | 0 | 0 | 111.2 | V225 A229 L232 P233 A238 H239 F240 | V225-L236 HydrophobicContact CG1-CD1 3.42Å; V225-L236 VanDerWaalsContact CG1-CD1 3.42Å; A229-L236 HydrophobicContact CB-CD2 4.07Å; L232-L236 PolarHBondContact O-N 3.01Å; P233-L236 WeakPolarHBondContact O-CB 3.32Å; P233-L236 PolarHBondContact O-N 2.91Å; L236-A238 VanDerWaalsContact C-N 3.32Å; L236-A238 PolarHBondContact O-N 3.05Å; L236-H239 PolarHBondContact O-N 2.84Å; L236-F240 PolarHBondContact O-N 3.43Å |
| 237 | A | 89.6 | Confident | 92.3 | Very high | 60 Ų | 60 | 54.2 Ų | 54.2 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y235 F240 L241 | Y235-A237 VanDerWaalsContact C-N 3.32Å; Y235-A237 PolarHBondContact O-N 2.8Å; A237-F240 PolarHBondContact O-N 3.41Å; A237-L241 WeakPolarHBondContact O-CB 3.49Å; A237-L241 WeakPolarHBondContact O-CG 3.46Å; A237-L241 PolarHBondContact O-N 3.46Å |
| 238 | A | 92.1 | Very high | 92.3 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y235 L236 L241 L242 | Y235-A238 PolarHBondContact O-N 2.94Å; L236-A238 VanDerWaalsContact C-N 3.32Å; L236-A238 PolarHBondContact O-N 3.05Å; A238-L241 PolarHBondContact O-N 3.35Å; A238-L242 WeakPolarHBondContact O-CB 3.41Å; A238-L242 PolarHBondContact O-N 2.8Å |
| 239 | H | 94.7 | Very high | 92.3 | Very high | 20 Ų | 20 | 59 Ų | 59 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 174.9 | 170.1 | -134.4 | 0 | 0 | 0 | 111.6 | F228 Y235 L236 L241 L242 I243 Y277 D302 L306 | F228-H239 HydrophobicContact CE1-CB 4.17Å; Y235-H239 WeakPolarHBondContact O-CB 3.26Å; Y235-H239 PolarHBondContact O-N 3.45Å; L236-H239 PolarHBondContact O-N 2.84Å; H239-L241 PolarHBondContact O-N 3.02Å; H239-L242 PolarHBondContact O-N 3.17Å; H239-I243 WeakPolarHBondContact NE2-CD1 3.22Å; H239-I243 PolarHBondContact O-N 3.06Å; H239-I243 VanDerWaalsContact O-N 3.14Å; H239-Y277 PolarHBondContact CE1-OH 3.41Å; H239-Y277 VanDerWaalsContact CE1-OH 3.23Å; H239-Y277 PolarHBondContact ND1-OH 3.22Å; H239-D302 IonicContact CD2-OD1 3.6Å; H239-D302 IonicContact CE1-OD1 3.2Å; H239-D302 IonicContact CE1-OD2 2.92Å; H239-D302 IonicContact NE2-OD1 3.78Å; H239-D302 PolarHBondContact NE2-OD1 3.48Å; H239-D302 IonicContact NE2-OD2 3.36Å; H239-D302 PolarHBondContact NE2-OD2 3.35Å; H239-L306 VanDerWaalsContact CE1-CD2 3.48Å; H239-L306 WeakPolarHBondContact CE1-CD2 3.28Å |
| 240 | F | 93.8 | Very high | 92.3 | Very high | 55 Ų | 55 | 63 Ų | 63 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.7 | 178.1 | -99.4 | 0 | 0 | 0 | 111.8 | L236 A237 L242 I243 W244 L274 Y277 | L236-F240 PolarHBondContact O-N 3.43Å; A237-F240 PolarHBondContact O-N 3.41Å; F240-L242 PolarHBondContact O-N 3.3Å; F240-I243 PolarHBondContact O-N 3.22Å; F240-W244 HydrophobicContact CD1-CB 4.36Å; F240-W244 HydrophobicContact CD2-CB 4.38Å; F240-W244 HydrophobicContact CE1-CB 3.93Å; F240-W244 AromaticContact CE1-CG 3.98Å; F240-W244 HydrophobicContact CE1-CG 3.98Å; F240-W244 HydrophobicContact CE2-CB 3.95Å; F240-W244 HydrophobicContact CE2-CG 4.2Å; F240-W244 HydrophobicContact CZ-CB 3.7Å; F240-W244 AromaticContact CZ-CD1 3.54Å; F240-W244 HydrophobicContact CZ-CD2 4.4Å; F240-W244 AromaticContact CZ-CG 3.6Å; F240-W244 HydrophobicContact CZ-CG 3.6Å; F240-W244 WeakPolarHBondContact O-CB 3.41Å; F240-W244 PolarHBondContact O-N 2.86Å; F240-L274 HydrophobicContact CE2-CD1 3.61Å; F240-L274 HydrophobicContact CZ-CD1 3.63Å; F240-Y277 HydrophobicContact CD2-CD1 4.27Å; F240-Y277 AromaticContact CD2-CD2 3.83Å; F240-Y277 HydrophobicContact CD2-CD2 3.83Å; F240-Y277 HydrophobicContact CD2-CE1 4.33Å; F240-Y277 AromaticContact CD2-CE2 3.89Å; F240-Y277 HydrophobicContact CD2-CE2 3.89Å; F240-Y277 HydrophobicContact CD2-CG 4.01Å; F240-Y277 HydrophobicContact CE2-CD2 4.24Å; F240-Y277 HydrophobicContact CE2-CG 4.11Å |
| 241 | L | 93.3 | Very high | 92.3 | Very high | 111 Ų | 111 | 61.3 Ų | 61.3 | 58% | 0.581 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67 | -19.1 | 179 | -70.6 | 174.4 | 0 | 0 | 0 | 113.8 | A237 A238 H239 P245 | A237-L241 WeakPolarHBondContact O-CB 3.49Å; A237-L241 WeakPolarHBondContact O-CG 3.46Å; A237-L241 PolarHBondContact O-N 3.46Å; A238-L241 PolarHBondContact O-N 3.35Å; H239-L241 PolarHBondContact O-N 3.02Å; L241-P245 WeakPolarHBondContact O-CD 3.35Å; L241-P245 WeakPolarHBondContact O-CG 3.38Å |
| 242 | L | 94.6 | Very high | 92.3 | Very high | 128 Ų | 128 | 66.8 Ų | 66.8 | 67% | 0.67 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -79.5 | -43 | 172.6 | -176.2 | 71.5 | 0 | 0 | 0 | 111.4 | A238 H239 F240 V246 | A238-L242 WeakPolarHBondContact O-CB 3.41Å; A238-L242 PolarHBondContact O-N 2.8Å; H239-L242 PolarHBondContact O-N 3.17Å; F240-L242 PolarHBondContact O-N 3.3Å; L242-V246 WeakPolarHBondContact O-CG2 3.5Å |
| 243 | I | 95.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -84.3 | -42.9 | -173.5 | -66.2 | -169.9 | 0 | 0 | 0 | 112.2 | H239 F240 V246 L247 Y277 F298 D302 | H239-I243 WeakPolarHBondContact NE2-CD1 3.22Å; H239-I243 PolarHBondContact O-N 3.06Å; H239-I243 VanDerWaalsContact O-N 3.14Å; F240-I243 PolarHBondContact O-N 3.22Å; I243-V246 WeakPolarHBondContact O-CB 3.41Å; I243-V246 PolarHBondContact O-N 3.02Å; I243-L247 HydrophobicContact CG2-CD1 3.64Å; I243-L247 HydrophobicContact CG2-CG 3.89Å; I243-L247 PolarHBondContact O-N 2.74Å; I243-Y277 HydrophobicContact CB-CD2 4.37Å; I243-Y277 HydrophobicContact CB-CE2 4.39Å; I243-Y277 HydrophobicContact CG2-CD2 4.02Å; I243-Y277 HydrophobicContact CG2-CE2 4.42Å; I243-F298 HydrophobicContact CG2-CE1 4.1Å; I243-D302 HydrophobicContact CD1-CB 4.17Å; I243-D302 WeakPolarHBondContact CD1-OD1 3.15Å; I243-D302 WeakPolarHBondContact CD1-OD2 3.08Å |
| 244 | W | 96.2 | Very high | 92.4 | Very high | 65 Ų | 65 | 70.3 Ų | 70.3 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.1 | -44.9 | -173.9 | 177 | 81.8 | 0 | 0 | 0 | 112.9 | F240 V246 L247 V248 A270 | F240-W244 HydrophobicContact CD1-CB 4.36Å; F240-W244 HydrophobicContact CD2-CB 4.38Å; F240-W244 HydrophobicContact CE1-CB 3.93Å; F240-W244 AromaticContact CE1-CG 3.98Å; F240-W244 HydrophobicContact CE1-CG 3.98Å; F240-W244 HydrophobicContact CE2-CB 3.95Å; F240-W244 HydrophobicContact CE2-CG 4.2Å; F240-W244 HydrophobicContact CZ-CB 3.7Å; F240-W244 AromaticContact CZ-CD1 3.54Å; F240-W244 HydrophobicContact CZ-CD2 4.4Å; F240-W244 AromaticContact CZ-CG 3.6Å; F240-W244 HydrophobicContact CZ-CG 3.6Å; F240-W244 WeakPolarHBondContact O-CB 3.41Å; F240-W244 PolarHBondContact O-N 2.86Å; W244-V246 VanDerWaalsContact C-N 3.3Å; W244-V246 PolarHBondContact O-N 2.67Å; W244-L247 PolarHBondContact O-N 3.24Å; W244-L247 VanDerWaalsContact O-N 3.16Å; W244-V248 HydrophobicContact CD2-CG2 3.87Å; W244-V248 VanDerWaalsContact CE2-CG2 3.44Å; W244-V248 HydrophobicContact CE3-CG2 4.39Å; W244-V248 HydrophobicContact CG-CG2 4.33Å; W244-V248 HydrophobicContact CH2-CG2 4.2Å; W244-V248 HydrophobicContact CZ2-CG2 3.65Å; W244-V248 WeakPolarHBondContact O-CG2 3.23Å; W244-V248 PolarHBondContact O-N 3.35Å; W244-A270 HydrophobicContact CH2-CB 4.5Å; W244-A270 HydrophobicContact CZ2-CB 3.82Å; W244-A270 PolarHBondContact NE1-O 2.91Å; W244-A270 VanDerWaalsContact NE1-O 3.1Å |
| 245 | P | 96.3 | Very high | 92.5 | Very high | 59 Ų | 59 | 73.3 Ų | 73.3 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -35.1 | 175.7 | -22.7 | 34.5 | 0 | 0 | 0 | 113.3 | L241 V248 F249 | L241-P245 WeakPolarHBondContact O-CD 3.35Å; L241-P245 WeakPolarHBondContact O-CG 3.38Å; P245-V248 PolarHBondContact O-N 3.44Å; P245-F249 WeakPolarHBondContact O-CB 3.17Å; P245-F249 PolarHBondContact O-N 3.16Å |
| 246 | V | 96.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 66.8 Ų | 66.8 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | L242 I243 W244 F249 W250 F298 | L242-V246 WeakPolarHBondContact O-CG2 3.5Å; I243-V246 WeakPolarHBondContact O-CB 3.41Å; I243-V246 PolarHBondContact O-N 3.02Å; W244-V246 VanDerWaalsContact C-N 3.3Å; W244-V246 PolarHBondContact O-N 2.67Å; V246-F249 PolarHBondContact O-N 2.84Å; V246-W250 WeakPolarHBondContact O-CB 3.31Å; V246-W250 PolarHBondContact O-N 2.93Å; V246-F298 HydrophobicContact CG1-CZ 4.36Å |
| 247 | L | 95.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 69.7 Ų | 69.7 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 176.1 | -65 | 176.5 | 0 | 0 | 0 | 111.3 | I243 W244 F249 W250 V251 G273 W276 F298 | I243-L247 HydrophobicContact CG2-CD1 3.64Å; I243-L247 HydrophobicContact CG2-CG 3.89Å; I243-L247 PolarHBondContact O-N 2.74Å; W244-L247 PolarHBondContact O-N 3.24Å; W244-L247 VanDerWaalsContact O-N 3.16Å; L247-F249 VanDerWaalsContact C-N 3.32Å; L247-F249 PolarHBondContact O-N 3.4Å; L247-W250 CarbonylContact O-C 3.59Å; L247-W250 WeakPolarHBondContact O-CA 3.48Å; L247-W250 WeakPolarHBondContact O-CB 3.36Å; L247-W250 PolarHBondContact O-N 3.16Å; L247-V251 WeakPolarHBondContact O-CG2 3.24Å; L247-V251 PolarHBondContact O-N 2.71Å; L247-G273 WeakPolarHBondContact CD1-O 3.5Å; L247-W276 HydrophobicContact CB-CB 4.48Å; L247-W276 HydrophobicContact CB-CE3 4.4Å; L247-W276 HydrophobicContact CD1-CB 3.97Å; L247-W276 HydrophobicContact CD2-CB 4.23Å; L247-W276 HydrophobicContact CD2-CE3 4.44Å; L247-W276 HydrophobicContact CG-CB 4.47Å; L247-F298 HydrophobicContact CD2-CE1 4.36Å |
| 248 | V | 94.8 | Very high | 91.4 | Very high | 23 Ų | 23 | 67.2 Ų | 67.2 | 14% | 0.139 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | W244 P245 W250 V251 W252 | W244-V248 HydrophobicContact CD2-CG2 3.87Å; W244-V248 VanDerWaalsContact CE2-CG2 3.44Å; W244-V248 HydrophobicContact CE3-CG2 4.39Å; W244-V248 HydrophobicContact CG-CG2 4.33Å; W244-V248 HydrophobicContact CH2-CG2 4.2Å; W244-V248 HydrophobicContact CZ2-CG2 3.65Å; W244-V248 WeakPolarHBondContact O-CG2 3.23Å; W244-V248 PolarHBondContact O-N 3.35Å; P245-V248 PolarHBondContact O-N 3.44Å; V248-W250 VanDerWaalsContact C-N 3.29Å; V248-W250 PolarHBondContact O-N 2.86Å; V248-V251 PolarHBondContact O-N 2.97Å; V248-W252 WeakPolarHBondContact O-CB 3.36Å; V248-W252 PolarHBondContact O-N 3.42Å |
| 249 | F | 93.9 | Very high | 91 | Very high | 99 Ų | 99 | 65 Ų | 65 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 174.8 | -177.9 | -108.4 | 0 | 0 | 0 | 112 | P245 V246 L247 W252 R253 | P245-F249 WeakPolarHBondContact O-CB 3.17Å; P245-F249 PolarHBondContact O-N 3.16Å; V246-F249 PolarHBondContact O-N 2.84Å; L247-F249 VanDerWaalsContact C-N 3.32Å; L247-F249 PolarHBondContact O-N 3.4Å; F249-W252 HydrophobicContact CD2-CE3 4.32Å; F249-W252 HydrophobicContact CE2-CE3 4.15Å; F249-W252 HydrophobicContact CE2-CZ3 4.32Å; F249-W252 PolarHBondContact O-N 3.29Å; F249-R253 HydrophobicContact CE1-CG 4.31Å; F249-R253 HydrophobicContact CZ-CG 4.32Å; F249-R253 PolarHBondContact O-N 2.85Å |
| 250 | W | 93.9 | Very high | 90.4 | Very high | 83 Ų | 83 | 68.6 Ų | 68.6 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 174 | -171.8 | -109 | 0 | 0 | 0 | 112.6 | V246 L247 V248 Q254 W276 I294 | V246-W250 WeakPolarHBondContact O-CB 3.31Å; V246-W250 PolarHBondContact O-N 2.93Å; L247-W250 CarbonylContact O-C 3.59Å; L247-W250 WeakPolarHBondContact O-CA 3.48Å; L247-W250 WeakPolarHBondContact O-CB 3.36Å; L247-W250 PolarHBondContact O-N 3.16Å; V248-W250 VanDerWaalsContact C-N 3.29Å; V248-W250 PolarHBondContact O-N 2.86Å; W250-Q254 WeakPolarHBondContact O-CG 3.29Å; W250-Q254 PolarHBondContact O-NE2 2.88Å; W250-W276 HydrophobicContact CB-CZ3 4.14Å; W250-W276 AromaticContact CD1-CH2 3.8Å; W250-W276 AromaticContact CD1-CZ3 3.36Å; W250-W276 HydrophobicContact CG-CZ3 4.12Å; W250-I294 HydrophobicContact CH2-CD1 4.12Å; W250-I294 HydrophobicContact CH2-CG2 4.26Å; W250-I294 HydrophobicContact CZ2-CD1 4.22Å; W250-I294 HydrophobicContact CZ2-CG2 4.16Å |
| 251 | V | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 171.6 | -170.5 | 0 | 0 | 0 | 0 | 110 | L247 V248 R253 Q254 T256 R269 V272 W276 V283 | L247-V251 WeakPolarHBondContact O-CG2 3.24Å; L247-V251 PolarHBondContact O-N 2.71Å; V248-V251 PolarHBondContact O-N 2.97Å; V251-R253 VanDerWaalsContact C-N 3.26Å; V251-R253 PolarHBondContact O-N 2.93Å; V251-Q254 WeakPolarHBondContact O-CA 3.35Å; V251-Q254 WeakPolarHBondContact O-CB 3.42Å; V251-Q254 PolarHBondContact O-N 3.39Å; V251-T256 HydrophobicContact CG1-CG2 3.96Å; V251-R269 HydrophobicContact CB-CB 4.38Å; V251-R269 HydrophobicContact CG1-CB 4.05Å; V251-R269 HydrophobicContact CG1-CG 3.83Å; V251-V272 HydrophobicContact CB-CG1 4.41Å; V251-V272 HydrophobicContact CG1-CB 4.26Å; V251-V272 HydrophobicContact CG1-CG1 4.03Å; V251-V272 HydrophobicContact CG2-CB 3.91Å; V251-V272 HydrophobicContact CG2-CG1 3.37Å; V251-W276 HydrophobicContact CB-CH2 4.19Å; V251-W276 HydrophobicContact CB-CZ3 4.01Å; V251-W276 HydrophobicContact CG2-CD2 4.34Å; V251-W276 HydrophobicContact CG2-CE3 3.6Å; V251-W276 HydrophobicContact CG2-CH2 3.53Å; V251-W276 HydrophobicContact CG2-CZ2 4.31Å; V251-W276 HydrophobicContact CG2-CZ3 3.11Å; V251-V283 HydrophobicContact CG1-CG1 4.32Å |
| 252 | W | 90.3 | Very high | 89.9 | Confident | 150 Ų | 150 | 66.9 Ų | 66.9 | 57% | 0.568 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.4 | -38.9 | -177.2 | -175.6 | 87.7 | 0 | 0 | 0 | 112 | V248 F249 Q254 E255 | V248-W252 WeakPolarHBondContact O-CB 3.36Å; V248-W252 PolarHBondContact O-N 3.42Å; F249-W252 HydrophobicContact CD2-CE3 4.32Å; F249-W252 HydrophobicContact CE2-CE3 4.15Å; F249-W252 HydrophobicContact CE2-CZ3 4.32Å; F249-W252 PolarHBondContact O-N 3.29Å; W252-Q254 PolarHBondContact O-N 3.39Å; W252-E255 PolarHBondContact O-N 3.32Å |
| 253 | R | 90 | Very high | 89.6 | Confident | 161 Ų | 161 | 63 Ų | 63 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.1 | 173 | -76.1 | -163.1 | 178.4 | -162.8 | 1.7 | 114.9 | F249 V251 E255 | F249-R253 HydrophobicContact CE1-CG 4.31Å; F249-R253 HydrophobicContact CZ-CG 4.32Å; F249-R253 PolarHBondContact O-N 2.85Å; V251-R253 VanDerWaalsContact C-N 3.26Å; V251-R253 PolarHBondContact O-N 2.93Å; R253-E255 VanDerWaalsContact C-N 3.33Å |
| 254 | Q | 86.6 | Confident | 89.2 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5 | 177.5 | -68.5 | 179.1 | 50.6 | 0 | 0 | 112.9 | W250 V251 W252 T256 W276 A284 | W250-Q254 WeakPolarHBondContact O-CG 3.29Å; W250-Q254 PolarHBondContact O-NE2 2.88Å; V251-Q254 WeakPolarHBondContact O-CA 3.35Å; V251-Q254 WeakPolarHBondContact O-CB 3.42Å; V251-Q254 PolarHBondContact O-N 3.39Å; W252-Q254 PolarHBondContact O-N 3.39Å; Q254-T256 HydrophobicContact CB-CG2 4.43Å; Q254-T256 PolarHBondContact O-N 3.46Å; Q254-W276 VanDerWaalsContact NE2-CH2 3.29Å; Q254-A284 HydrophobicContact CB-CB 3.75Å; Q254-A284 HydrophobicContact CG-CB 4.44Å |
| 255 | E | 84.4 | Confident | 89 | Confident | 169 Ų | 169 | 60.2 Ų | 60.2 | 79% | 0.79 | 31% | 0.314 | S | S | * | . | trans | 47.9 | 54.6 | 169.6 | -64.7 | -177.1 | -178.6 | 0 | 0 | 113.5 | W252 R253 | W252-E255 PolarHBondContact O-N 3.32Å; R253-E255 VanDerWaalsContact C-N 3.33Å | ||
| 256 | T | 84.6 | Confident | 88.8 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | trans | -71.1 | 142.7 | -176.6 | 56.8 | 0 | 0 | 0 | 0 | 111.7 | V251 Q254 E265 R269 V283 | V251-T256 HydrophobicContact CG1-CG2 3.96Å; Q254-T256 HydrophobicContact CB-CG2 4.43Å; Q254-T256 PolarHBondContact O-N 3.46Å; T256-E265 VanDerWaalsContact C-OE1 3.31Å; T256-E265 VanDerWaalsContact CB-OE1 3.26Å; T256-E265 WeakPolarHBondContact CB-OE1 3.34Å; T256-E265 VanDerWaalsContact O-CD 3.27Å; T256-E265 PolarHBondContact OG1-OE1 3.2Å; T256-R269 PolarHBondContact O-NH2 3.49Å; T256-R269 WeakPolarHBondContact OG1-CG 3.43Å; T256-R269 PolarHBondContact OG1-NE 2.93Å; T256-V283 HydrophobicContact CG2-CG1 3.42Å; T256-V283 VanDerWaalsContact CG2-CG1 3.42Å | ||
| 257 | D | 82.4 | Confident | 88.7 | Confident | 110 Ų | 110 | 62.5 Ų | 62.5 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | trans | -128.5 | 67.9 | 177.9 | -176.5 | 39.3 | 0 | 0 | 0 | 109.9 | ||||
| 258 | F | 79.1 | Confident | 88.5 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | trans | -100.3 | -34.5 | -175.6 | -177.8 | -101.2 | 0 | 0 | 0 | 112.8 | W68 M139 E265 Y268 R390 H394 | W68-F258 AromaticContact CZ2-CE1 3.83Å; W68-F258 HydrophobicContact CZ2-CE1 3.83Å; W68-F258 AromaticContact CZ2-CZ 3.98Å; W68-F258 HydrophobicContact CZ2-CZ 3.98Å; M139-F258 HydrophobicContact CE-CZ 4.21Å; M139-F258 HydrophobicContact CG-CZ 4.49Å; F258-E265 PolarHBondContact N-OE2 3.03Å; F258-Y268 HydrophobicContact CB-CD1 3.56Å; F258-Y268 HydrophobicContact CB-CD2 4.42Å; F258-Y268 HydrophobicContact CB-CE1 3.55Å; F258-Y268 HydrophobicContact CB-CE2 4.45Å; F258-Y268 HydrophobicContact CB-CG 4.01Å; F258-Y268 HydrophobicContact CD1-CD1 4.15Å; F258-Y268 AromaticContact CD1-CD2 3.49Å; F258-Y268 HydrophobicContact CD1-CD2 3.49Å; F258-Y268 VanDerWaalsContact CD1-CD2 3.49Å; F258-Y268 HydrophobicContact CD1-CE1 4.36Å; F258-Y268 AromaticContact CD1-CE2 3.77Å; F258-Y268 HydrophobicContact CD1-CE2 3.77Å; F258-Y268 AromaticContact CD1-CG 3.71Å; F258-Y268 HydrophobicContact CD1-CG 3.71Å; F258-Y268 HydrophobicContact CD2-CE2 4.48Å; F258-Y268 AromaticContact CE1-CD2 3.98Å; F258-Y268 HydrophobicContact CE1-CD2 3.98Å; F258-Y268 HydrophobicContact CE1-CE2 4.15Å; F258-Y268 HydrophobicContact CG-CD1 4.09Å; F258-Y268 HydrophobicContact CG-CD2 4.06Å; F258-Y268 AromaticContact CG-CE1 3.97Å; F258-Y268 HydrophobicContact CG-CE1 3.97Å; F258-Y268 AromaticContact CG-CE2 3.98Å; F258-Y268 HydrophobicContact CG-CE2 3.98Å; F258-Y268 HydrophobicContact CG-CG 4.13Å; F258-Y268 AromaticContact CG-CZ 3.93Å; F258-R390 HydrophobicContact CD2-CB 4.19Å; F258-R390 HydrophobicContact CE2-CB 3.61Å; F258-R390 HydrophobicContact CE2-CG 4.47Å; F258-R390 HydrophobicContact CZ-CB 3.88Å; F258-H394 AromaticContact CD2-CD2 3.84Å; F258-H394 AromaticContact CD2-CE1 3.74Å; F258-H394 AromaticContact CD2-NE2 3.25Å; F258-H394 WeakPolarHBondContact CD2-NE2 3.5Å; F258-H394 AromaticContact CE2-CE1 3.53Å; F258-H394 AromaticContact CE2-NE2 3.53Å | ||
| 259 | M | 83.6 | Confident | 88.5 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -112.7 | 138.8 | -177.8 | -62.3 | -70.2 | -112 | 0 | 0 | 111.4 | F64 F67 W68 Y71 S261 G264 E265 | F64-M259 HydrophobicContact CD1-CE 3.4Å; F64-M259 HydrophobicContact CD1-SD 4.46Å; F64-M259 HydrophobicContact CE1-CE 3.66Å; F64-M259 HydrophobicContact CG-CE 4.45Å; F67-M259 HydrophobicContact CB-CE 3.89Å; F67-M259 HydrophobicContact CD2-CE 4.08Å; F67-M259 HydrophobicContact CG-CE 4.32Å; W68-M259 PolarHBondContact NE1-SD 3.22Å; Y71-M259 HydrophobicContact CE2-CB 4.42Å; Y71-M259 HydrophobicContact CE2-SD 4.09Å; M259-S261 PolarHBondContact O-N 3.27Å; M259-S261 VanDerWaalsContact O-N 3.15Å; M259-G264 VanDerWaalsContact CG-C 3.48Å; M259-G264 WeakPolarHBondContact CG-O 3.48Å; M259-E265 HydrophobicContact CB-CB 4.28Å; M259-E265 PolarHBondContact N-OE2 3.14Å |
| 260 | D | 82.3 | Confident | 88.5 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -70.1 | -13.6 | -177.4 | -56.1 | -47.9 | 0 | 0 | 0 | 113.8 | Y71 | Y71-D260 HydrophobicContact CD1-CB 4.08Å; Y71-D260 HydrophobicContact CD2-CB 4.41Å; Y71-D260 HydrophobicContact CE1-CB 4.05Å; Y71-D260 HydrophobicContact CE2-CB 4.37Å; Y71-D260 HydrophobicContact CG-CB 4.29Å |
| 261 | S | 88.3 | Confident | 88.5 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -114.9 | 145.9 | 175.8 | 79 | 0 | 0 | 0 | 0 | 112.7 | Y71 M259 G263 G264 E265 | Y71-S261 VanDerWaalsContact OH-CB 3.27Å; Y71-S261 WeakPolarHBondContact OH-CB 3.4Å; Y71-S261 PolarHBondContact OH-N 3.22Å; Y71-S261 PolarHBondContact OH-OG 3.26Å; M259-S261 PolarHBondContact O-N 3.27Å; M259-S261 VanDerWaalsContact O-N 3.15Å; S261-G263 VanDerWaalsContact C-N 3.28Å; S261-G263 PolarHBondContact O-N 3.42Å; S261-G264 PolarHBondContact O-N 3.3Å; S261-G264 VanDerWaalsContact O-N 3.11Å; S261-G264 PolarHBondContact OG-N 3.25Å; S261-G264 VanDerWaalsContact OG-N 3.15Å; S261-E265 PolarHBondContact O-N 3.02Å |
| 262 | A | 88.1 | Confident | 88.6 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 74% | 0.744 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58 | -37.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E265 W266 | A262-E265 PolarHBondContact O-N 3.46Å; A262-W266 PolarHBondContact O-N 2.97Å |
| 263 | G | 88.5 | Confident | 88.8 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S261 W266 L267 | S261-G263 VanDerWaalsContact C-N 3.28Å; S261-G263 PolarHBondContact O-N 3.42Å; G263-W266 PolarHBondContact O-N 3.2Å; G263-L267 PolarHBondContact O-N 3.49Å; G263-L267 VanDerWaalsContact O-N 3.1Å |
| 264 | G | 87.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M259 S261 L267 Y268 | M259-G264 VanDerWaalsContact CG-C 3.48Å; M259-G264 WeakPolarHBondContact CG-O 3.48Å; S261-G264 PolarHBondContact O-N 3.3Å; S261-G264 VanDerWaalsContact O-N 3.11Å; S261-G264 PolarHBondContact OG-N 3.25Å; S261-G264 VanDerWaalsContact OG-N 3.15Å; G264-L267 WeakPolarHBondContact O-CB 3.27Å; G264-L267 PolarHBondContact O-N 3.41Å; G264-Y268 WeakPolarHBondContact O-CB 3.23Å; G264-Y268 PolarHBondContact O-N 2.89Å |
| 265 | E | 91.1 | Very high | 89.4 | Confident | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.2 | -38.1 | -179.9 | -171.6 | 55.8 | -142.3 | 0 | 0 | 111.6 | T256 F258 M259 S261 A262 Y268 R269 | T256-E265 VanDerWaalsContact C-OE1 3.31Å; T256-E265 VanDerWaalsContact CB-OE1 3.26Å; T256-E265 WeakPolarHBondContact CB-OE1 3.34Å; T256-E265 VanDerWaalsContact O-CD 3.27Å; T256-E265 PolarHBondContact OG1-OE1 3.2Å; F258-E265 PolarHBondContact N-OE2 3.03Å; M259-E265 HydrophobicContact CB-CB 4.28Å; M259-E265 PolarHBondContact N-OE2 3.14Å; S261-E265 PolarHBondContact O-N 3.02Å; A262-E265 PolarHBondContact O-N 3.46Å; E265-Y268 WeakPolarHBondContact O-CB 3.34Å; E265-Y268 PolarHBondContact O-N 3.36Å; E265-R269 VanDerWaalsContact O-CG 3.29Å; E265-R269 WeakPolarHBondContact O-CG 3.36Å; E265-R269 PolarHBondContact O-N 3.48Å; E265-R269 IonicContact OE1-NE 2.8Å; E265-R269 PolarHBondContact OE1-NE 3.21Å; E265-R269 IonicContact OE1-NH2 3.81Å |
| 266 | W | 93.1 | Very high | 89.9 | Confident | 166 Ų | 166 | 33 Ų | 33 | 63% | 0.629 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -62.4 | -44.4 | 172 | -174.6 | 87.6 | 0 | 0 | 0 | 112.1 | A262 G263 Y268 R269 A270 | A262-W266 PolarHBondContact O-N 2.97Å; G263-W266 PolarHBondContact O-N 3.2Å; W266-Y268 VanDerWaalsContact C-N 3.32Å; W266-Y268 PolarHBondContact O-N 3.4Å; W266-R269 PolarHBondContact O-N 3.22Å; W266-A270 WeakPolarHBondContact O-CB 3.49Å; W266-A270 PolarHBondContact O-N 2.73Å |
| 267 | L | 93.1 | Very high | 90.4 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.9 | -44.8 | 173.8 | 177.4 | 68.8 | 0 | 0 | 0 | 111 | M63 F64 F67 G263 G264 R269 A270 T271 | M63-L267 HydrophobicContact CB-CD2 3.66Å; M63-L267 HydrophobicContact CE-CD1 4.44Å; M63-L267 HydrophobicContact CE-CD2 4.13Å; M63-L267 HydrophobicContact SD-CD2 4.5Å; F64-L267 HydrophobicContact CD2-CD2 4.04Å; F64-L267 HydrophobicContact CD2-CG 4.49Å; F64-L267 HydrophobicContact CE1-CD2 4.4Å; F64-L267 HydrophobicContact CE1-CG 4.49Å; F64-L267 HydrophobicContact CE2-CD1 4.47Å; F64-L267 HydrophobicContact CE2-CD2 3.88Å; F64-L267 HydrophobicContact CE2-CG 3.84Å; F64-L267 HydrophobicContact CG-CD2 4.34Å; F64-L267 HydrophobicContact CZ-CD2 4.07Å; F64-L267 HydrophobicContact CZ-CG 3.83Å; F67-L267 HydrophobicContact CD2-CD2 4.19Å; F67-L267 HydrophobicContact CE2-CD2 4.04Å; G263-L267 PolarHBondContact O-N 3.49Å; G263-L267 VanDerWaalsContact O-N 3.1Å; G264-L267 WeakPolarHBondContact O-CB 3.27Å; G264-L267 PolarHBondContact O-N 3.41Å; L267-R269 PolarHBondContact O-N 2.91Å; L267-A270 WeakPolarHBondContact O-CB 3.44Å; L267-A270 PolarHBondContact O-N 3.42Å; L267-T271 WeakPolarHBondContact O-CB 3.41Å; L267-T271 PolarHBondContact O-N 3.45Å; L267-T271 PolarHBondContact O-OG1 2.92Å; L267-T271 VanDerWaalsContact O-OG1 3.07Å |
| 268 | Y | 91.3 | Very high | 91 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.6 | -50.8 | 176.9 | 176.9 | -113.4 | 0 | 0 | 0 | 112.1 | F64 M139 F258 G264 E265 W266 A270 T271 V272 V283 H394 | F64-Y268 HydrophobicContact CE1-CD2 4.27Å; M139-Y268 HydrophobicContact CE-CE2 4.07Å; F258-Y268 HydrophobicContact CB-CD1 3.56Å; F258-Y268 HydrophobicContact CB-CD2 4.42Å; F258-Y268 HydrophobicContact CB-CE1 3.55Å; F258-Y268 HydrophobicContact CB-CE2 4.45Å; F258-Y268 HydrophobicContact CB-CG 4.01Å; F258-Y268 HydrophobicContact CD1-CD1 4.15Å; F258-Y268 AromaticContact CD1-CD2 3.49Å; F258-Y268 HydrophobicContact CD1-CD2 3.49Å; F258-Y268 VanDerWaalsContact CD1-CD2 3.49Å; F258-Y268 HydrophobicContact CD1-CE1 4.36Å; F258-Y268 AromaticContact CD1-CE2 3.77Å; F258-Y268 HydrophobicContact CD1-CE2 3.77Å; F258-Y268 AromaticContact CD1-CG 3.71Å; F258-Y268 HydrophobicContact CD1-CG 3.71Å; F258-Y268 HydrophobicContact CD2-CE2 4.48Å; F258-Y268 AromaticContact CE1-CD2 3.98Å; F258-Y268 HydrophobicContact CE1-CD2 3.98Å; F258-Y268 HydrophobicContact CE1-CE2 4.15Å; F258-Y268 HydrophobicContact CG-CD1 4.09Å; F258-Y268 HydrophobicContact CG-CD2 4.06Å; F258-Y268 AromaticContact CG-CE1 3.97Å; F258-Y268 HydrophobicContact CG-CE1 3.97Å; F258-Y268 AromaticContact CG-CE2 3.98Å; F258-Y268 HydrophobicContact CG-CE2 3.98Å; F258-Y268 HydrophobicContact CG-CG 4.13Å; F258-Y268 AromaticContact CG-CZ 3.93Å; G264-Y268 WeakPolarHBondContact O-CB 3.23Å; G264-Y268 PolarHBondContact O-N 2.89Å; E265-Y268 WeakPolarHBondContact O-CB 3.34Å; E265-Y268 PolarHBondContact O-N 3.36Å; W266-Y268 VanDerWaalsContact C-N 3.32Å; W266-Y268 PolarHBondContact O-N 3.4Å; Y268-A270 VanDerWaalsContact C-N 3.32Å; Y268-A270 PolarHBondContact O-N 3.35Å; Y268-T271 PolarHBondContact O-N 2.86Å; Y268-V272 HydrophobicContact CD1-CG2 4.41Å; Y268-V272 HydrophobicContact CD2-CG2 4.08Å; Y268-V272 HydrophobicContact CE1-CG2 3.94Å; Y268-V272 HydrophobicContact CE2-CG2 3.53Å; Y268-V272 HydrophobicContact CG-CG2 4.47Å; Y268-V272 VanDerWaalsContact CZ-CG2 3.45Å; Y268-V272 WeakPolarHBondContact O-CG2 3.34Å; Y268-V272 PolarHBondContact O-N 2.77Å; Y268-V283 HydrophobicContact CE1-CG1 3.72Å; Y268-V283 VanDerWaalsContact OH-CG1 3.27Å; Y268-V283 WeakPolarHBondContact OH-CG1 3.5Å; Y268-H394 AromaticContact CZ-CE1 3.87Å; Y268-H394 AromaticContact CZ-NE2 3.64Å; Y268-H394 PolarHBondContact OH-CE1 3.44Å; Y268-H394 PolarHBondContact OH-NE2 2.92Å |
| 269 | R | 94.1 | Very high | 91.6 | Very high | 42 Ų | 42 | 28 Ų | 28 | 16% | 0.158 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 178.5 | -66.8 | 173.5 | -178.9 | 179.6 | 6.6 | 112.5 | V251 T256 E265 W266 L267 G273 | V251-R269 HydrophobicContact CB-CB 4.38Å; V251-R269 HydrophobicContact CG1-CB 4.05Å; V251-R269 HydrophobicContact CG1-CG 3.83Å; T256-R269 PolarHBondContact O-NH2 3.49Å; T256-R269 WeakPolarHBondContact OG1-CG 3.43Å; T256-R269 PolarHBondContact OG1-NE 2.93Å; E265-R269 VanDerWaalsContact O-CG 3.29Å; E265-R269 WeakPolarHBondContact O-CG 3.36Å; E265-R269 PolarHBondContact O-N 3.48Å; E265-R269 IonicContact OE1-NE 2.8Å; E265-R269 PolarHBondContact OE1-NE 3.21Å; E265-R269 IonicContact OE1-NH2 3.81Å; W266-R269 PolarHBondContact O-N 3.22Å; L267-R269 PolarHBondContact O-N 2.91Å; R269-G273 PolarHBondContact O-N 3.19Å |
| 270 | A | 94.9 | Very high | 91.9 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W244 W266 L267 Y268 G273 L274 | W244-A270 HydrophobicContact CH2-CB 4.5Å; W244-A270 HydrophobicContact CZ2-CB 3.82Å; W244-A270 PolarHBondContact NE1-O 2.91Å; W244-A270 VanDerWaalsContact NE1-O 3.1Å; W266-A270 WeakPolarHBondContact O-CB 3.49Å; W266-A270 PolarHBondContact O-N 2.73Å; L267-A270 WeakPolarHBondContact O-CB 3.44Å; L267-A270 PolarHBondContact O-N 3.42Å; Y268-A270 VanDerWaalsContact C-N 3.32Å; Y268-A270 PolarHBondContact O-N 3.35Å; A270-G273 PolarHBondContact O-N 3.45Å; A270-L274 PolarHBondContact O-N 3.35Å; A270-L274 VanDerWaalsContact O-N 3.12Å |
| 271 | T | 93.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 177.9 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | F64 I143 L267 Y268 G273 L274 I275 | F64-T271 HydrophobicContact CE2-CG2 4.03Å; F64-T271 WeakPolarHBondContact CE2-OG1 3.46Å; F64-T271 HydrophobicContact CZ-CG2 4.21Å; I143-T271 HydrophobicContact CB-CG2 4.41Å; I143-T271 HydrophobicContact CG1-CG2 4.07Å; I143-T271 HydrophobicContact CG2-CG2 3.73Å; L267-T271 WeakPolarHBondContact O-CB 3.41Å; L267-T271 PolarHBondContact O-N 3.45Å; L267-T271 PolarHBondContact O-OG1 2.92Å; L267-T271 VanDerWaalsContact O-OG1 3.07Å; Y268-T271 PolarHBondContact O-N 2.86Å; T271-G273 VanDerWaalsContact C-N 3.32Å; T271-G273 PolarHBondContact O-N 2.91Å; T271-L274 WeakPolarHBondContact O-CB 3.31Å; T271-L274 PolarHBondContact O-N 2.85Å; T271-L274 VanDerWaalsContact O-N 3.14Å; T271-I275 HydrophobicContact CG2-CD1 4.2Å; T271-I275 WeakPolarHBondContact O-CG1 3.45Å; T271-I275 PolarHBondContact O-N 2.94Å |
| 272 | V | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 173.2 | 169.5 | 0 | 0 | 0 | 0 | 111 | V251 Y268 L274 I275 W276 V283 | V251-V272 HydrophobicContact CB-CG1 4.41Å; V251-V272 HydrophobicContact CG1-CB 4.26Å; V251-V272 HydrophobicContact CG1-CG1 4.03Å; V251-V272 HydrophobicContact CG2-CB 3.91Å; V251-V272 HydrophobicContact CG2-CG1 3.37Å; Y268-V272 HydrophobicContact CD1-CG2 4.41Å; Y268-V272 HydrophobicContact CD2-CG2 4.08Å; Y268-V272 HydrophobicContact CE1-CG2 3.94Å; Y268-V272 HydrophobicContact CE2-CG2 3.53Å; Y268-V272 HydrophobicContact CG-CG2 4.47Å; Y268-V272 VanDerWaalsContact CZ-CG2 3.45Å; Y268-V272 WeakPolarHBondContact O-CG2 3.34Å; Y268-V272 PolarHBondContact O-N 2.77Å; V272-L274 PolarHBondContact O-N 3.04Å; V272-I275 PolarHBondContact O-N 3.5Å; V272-I275 VanDerWaalsContact O-N 3.15Å; V272-W276 HydrophobicContact CG1-CD2 3.93Å; V272-W276 HydrophobicContact CG1-CE3 4.35Å; V272-W276 HydrophobicContact CG1-CG 4.36Å; V272-W276 HydrophobicContact CG1-CH2 4.23Å; V272-W276 HydrophobicContact CG1-CZ2 3.84Å; V272-W276 HydrophobicContact CG1-CZ3 4.47Å; V272-W276 WeakPolarHBondContact O-CB 3.42Å; V272-W276 PolarHBondContact O-N 3.36Å; V272-V283 HydrophobicContact CB-CG2 4.45Å; V272-V283 HydrophobicContact CG1-CB 4.47Å; V272-V283 HydrophobicContact CG1-CG1 4.46Å; V272-V283 HydrophobicContact CG1-CG2 3.54Å; V272-V283 HydrophobicContact CG2-CG1 4.31Å; V272-V283 HydrophobicContact CG2-CG2 3.96Å |
| 273 | G | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.6 | -36.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L247 R269 A270 T271 Y277 | L247-G273 WeakPolarHBondContact CD1-O 3.5Å; R269-G273 PolarHBondContact O-N 3.19Å; A270-G273 PolarHBondContact O-N 3.45Å; T271-G273 VanDerWaalsContact C-N 3.32Å; T271-G273 PolarHBondContact O-N 2.91Å; G273-Y277 PolarHBondContact O-N 3.44Å |
| 274 | L | 95.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 17.1 Ų | 17.1 | 17% | 0.168 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.3 | -44.9 | 173 | 177.3 | 65.8 | 0 | 0 | 0 | 112.1 | C147 F240 A270 T271 V272 W276 Y277 | C147-L274 HydrophobicContact CB-CD2 4.24Å; C147-L274 VanDerWaalsContact SG-CD2 3.59Å; F240-L274 HydrophobicContact CE2-CD1 3.61Å; F240-L274 HydrophobicContact CZ-CD1 3.63Å; A270-L274 PolarHBondContact O-N 3.35Å; A270-L274 VanDerWaalsContact O-N 3.12Å; T271-L274 WeakPolarHBondContact O-CB 3.31Å; T271-L274 PolarHBondContact O-N 2.85Å; T271-L274 VanDerWaalsContact O-N 3.14Å; V272-L274 PolarHBondContact O-N 3.04Å; L274-W276 VanDerWaalsContact C-N 3.31Å; L274-W276 PolarHBondContact O-N 3.35Å; L274-Y277 VanDerWaalsContact O-CB 3.23Å; L274-Y277 WeakPolarHBondContact O-CB 3.33Å; L274-Y277 PolarHBondContact O-N 2.96Å; L274-Y277 VanDerWaalsContact O-N 3.07Å |
| 275 | I | 93.8 | Very high | 88 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 175 | -67 | 166.8 | 0 | 0 | 0 | 110.1 | F146 T271 V272 Y277 F278 S279 F281 | F146-I275 HydrophobicContact CB-CB 4.45Å; F146-I275 HydrophobicContact CB-CG1 3.71Å; F146-I275 HydrophobicContact CD2-CB 4.41Å; F146-I275 HydrophobicContact CD2-CG1 3.93Å; F146-I275 HydrophobicContact CD2-CG2 3.89Å; F146-I275 HydrophobicContact CE2-CG2 4.05Å; F146-I275 HydrophobicContact CG-CB 4.36Å; F146-I275 HydrophobicContact CG-CG1 3.96Å; F146-I275 HydrophobicContact CG-CG2 4.16Å; F146-I275 HydrophobicContact CZ-CG2 4.47Å; T271-I275 HydrophobicContact CG2-CD1 4.2Å; T271-I275 WeakPolarHBondContact O-CG1 3.45Å; T271-I275 PolarHBondContact O-N 2.94Å; V272-I275 PolarHBondContact O-N 3.5Å; V272-I275 VanDerWaalsContact O-N 3.15Å; I275-Y277 PolarHBondContact O-N 3.2Å; I275-F278 PolarHBondContact O-N 2.7Å; I275-S279 CarbonylContact C-O 3.51Å; I275-S279 PolarHBondContact O-N 2.88Å; I275-S279 VanDerWaalsContact O-O 3.07Å; I275-F281 HydrophobicContact CG2-CB 3.8Å; I275-F281 HydrophobicContact CG2-CG 4.39Å |
| 276 | W | 94.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -16.2 | 176.7 | -78.7 | 1.2 | 0 | 0 | 0 | 114.5 | L247 W250 V251 Q254 V272 L274 F278 S279 F281 V283 Y295 | L247-W276 HydrophobicContact CB-CB 4.48Å; L247-W276 HydrophobicContact CB-CE3 4.4Å; L247-W276 HydrophobicContact CD1-CB 3.97Å; L247-W276 HydrophobicContact CD2-CB 4.23Å; L247-W276 HydrophobicContact CD2-CE3 4.44Å; L247-W276 HydrophobicContact CG-CB 4.47Å; W250-W276 HydrophobicContact CB-CZ3 4.14Å; W250-W276 AromaticContact CD1-CH2 3.8Å; W250-W276 AromaticContact CD1-CZ3 3.36Å; W250-W276 HydrophobicContact CG-CZ3 4.12Å; V251-W276 HydrophobicContact CB-CH2 4.19Å; V251-W276 HydrophobicContact CB-CZ3 4.01Å; V251-W276 HydrophobicContact CG2-CD2 4.34Å; V251-W276 HydrophobicContact CG2-CE3 3.6Å; V251-W276 HydrophobicContact CG2-CH2 3.53Å; V251-W276 HydrophobicContact CG2-CZ2 4.31Å; V251-W276 HydrophobicContact CG2-CZ3 3.11Å; Q254-W276 VanDerWaalsContact NE2-CH2 3.29Å; V272-W276 HydrophobicContact CG1-CD2 3.93Å; V272-W276 HydrophobicContact CG1-CE3 4.35Å; V272-W276 HydrophobicContact CG1-CG 4.36Å; V272-W276 HydrophobicContact CG1-CH2 4.23Å; V272-W276 HydrophobicContact CG1-CZ2 3.84Å; V272-W276 HydrophobicContact CG1-CZ3 4.47Å; V272-W276 WeakPolarHBondContact O-CB 3.42Å; V272-W276 PolarHBondContact O-N 3.36Å; L274-W276 VanDerWaalsContact C-N 3.31Å; L274-W276 PolarHBondContact O-N 3.35Å; W276-F278 PolarHBondContact O-N 2.97Å; W276-S279 WeakPolarHBondContact CA-O 3.3Å; W276-F281 PolarHBondContact NE1-O 2.72Å; W276-V283 HydrophobicContact CZ2-CB 4.32Å; W276-V283 HydrophobicContact CZ2-CG2 3.98Å; W276-Y295 HydrophobicContact CB-CE2 3.85Å; W276-Y295 HydrophobicContact CG-CE2 4.03Å; W276-Y295 VanDerWaalsContact O-CE2 3.23Å; W276-Y295 WeakPolarHBondContact O-CE2 3.05Å; W276-Y295 PolarHBondContact O-OH 3.03Å |
| 277 | Y | 95.5 | Very high | 84.8 | Confident | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.02 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.8 | -28.1 | 170.5 | -176.1 | -94.1 | 0 | 0 | 0 | 111.8 | R221 V225 H239 F240 I243 G273 L274 I275 M299 | R221-Y277 PolarHBondContact NE-O 3.36Å; R221-Y277 VanDerWaalsContact NH2-CE2 3.29Å; V225-Y277 HydrophobicContact CG2-CE1 4.24Å; H239-Y277 PolarHBondContact CE1-OH 3.41Å; H239-Y277 VanDerWaalsContact CE1-OH 3.23Å; H239-Y277 PolarHBondContact ND1-OH 3.22Å; F240-Y277 HydrophobicContact CD2-CD1 4.27Å; F240-Y277 AromaticContact CD2-CD2 3.83Å; F240-Y277 HydrophobicContact CD2-CD2 3.83Å; F240-Y277 HydrophobicContact CD2-CE1 4.33Å; F240-Y277 AromaticContact CD2-CE2 3.89Å; F240-Y277 HydrophobicContact CD2-CE2 3.89Å; F240-Y277 HydrophobicContact CD2-CG 4.01Å; F240-Y277 HydrophobicContact CE2-CD2 4.24Å; F240-Y277 HydrophobicContact CE2-CG 4.11Å; I243-Y277 HydrophobicContact CB-CD2 4.37Å; I243-Y277 HydrophobicContact CB-CE2 4.39Å; I243-Y277 HydrophobicContact CG2-CD2 4.02Å; I243-Y277 HydrophobicContact CG2-CE2 4.42Å; G273-Y277 PolarHBondContact O-N 3.44Å; L274-Y277 VanDerWaalsContact O-CB 3.23Å; L274-Y277 WeakPolarHBondContact O-CB 3.33Å; L274-Y277 PolarHBondContact O-N 2.96Å; L274-Y277 VanDerWaalsContact O-N 3.07Å; I275-Y277 PolarHBondContact O-N 3.2Å; Y277-M299 VanDerWaalsContact O-CE 3.24Å; Y277-M299 WeakPolarHBondContact O-CE 3.12Å |
| 278 | F | 94.7 | Very high | 83.8 | Confident | 11 Ų | 11 | 17.6 Ų | 17.6 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -110.1 | -41.6 | -177.6 | -66.5 | -75 | 0 | 0 | 0 | 113.8 | F146 A150 P151 V222 I275 W276 | F146-F278 HydrophobicContact CD1-CB 3.84Å; F146-F278 HydrophobicContact CD1-CD2 4.35Å; F146-F278 HydrophobicContact CD1-CG 4.42Å; F146-F278 HydrophobicContact CE1-CB 3.87Å; A150-F278 HydrophobicContact CB-CD1 4.16Å; A150-F278 HydrophobicContact CB-CD2 4.05Å; A150-F278 HydrophobicContact CB-CE1 4.28Å; A150-F278 HydrophobicContact CB-CE2 4.16Å; A150-F278 HydrophobicContact CB-CG 4.04Å; A150-F278 HydrophobicContact CB-CZ 4.28Å; P151-F278 HydrophobicContact CG-CE2 3.87Å; P151-F278 HydrophobicContact CG-CZ 3.96Å; V222-F278 HydrophobicContact CG2-CD1 4.18Å; V222-F278 HydrophobicContact CG2-CE1 4.45Å; I275-F278 PolarHBondContact O-N 2.7Å; W276-F278 PolarHBondContact O-N 2.97Å |
| 279 | S | 92.3 | Very high | 83.2 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -147.3 | 148.5 | -171.4 | -168 | 0 | 0 | 0 | 0 | 113.2 | I275 W276 F281 Y295 | I275-S279 CarbonylContact C-O 3.51Å; I275-S279 PolarHBondContact O-N 2.88Å; I275-S279 VanDerWaalsContact O-O 3.07Å; W276-S279 WeakPolarHBondContact CA-O 3.3Å; S279-F281 PolarHBondContact O-N 3.36Å; S279-Y295 PolarHBondContact O-OH 3.29Å |
| 280 | W | 88.7 | Confident | 82.6 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | trans | -73.3 | 123.3 | 175.7 | 174.7 | -98.9 | 0 | 0 | 0 | 111.2 | R291 Y295 H296 | W280-R291 HydrophobicContact CH2-CB 3.92Å; W280-R291 HydrophobicContact CZ2-CB 4.4Å; W280-Y295 HydrophobicContact CB-CD1 4.05Å; W280-Y295 HydrophobicContact CB-CE1 3.66Å; W280-Y295 HydrophobicContact CD2-CD1 4.11Å; W280-Y295 HydrophobicContact CD2-CG 4.25Å; W280-Y295 VanDerWaalsContact CE3-CB 3.46Å; W280-Y295 AromaticContact CE3-CD1 3.44Å; W280-Y295 HydrophobicContact CE3-CD1 3.44Å; W280-Y295 VanDerWaalsContact CE3-CD1 3.44Å; W280-Y295 AromaticContact CE3-CD2 3.56Å; W280-Y295 HydrophobicContact CE3-CD2 3.56Å; W280-Y295 HydrophobicContact CE3-CE1 4.02Å; W280-Y295 HydrophobicContact CE3-CE2 4.1Å; W280-Y295 AromaticContact CE3-CG 3.18Å; W280-Y295 HydrophobicContact CE3-CG 3.18Å; W280-Y295 HydrophobicContact CG-CD1 4.41Å; W280-Y295 HydrophobicContact CG-CE1 4.47Å; W280-Y295 HydrophobicContact CZ3-CD1 4.23Å; W280-Y295 AromaticContact CZ3-CD2 3.86Å; W280-Y295 HydrophobicContact CZ3-CD2 3.86Å; W280-Y295 AromaticContact CZ3-CG 3.55Å; W280-Y295 HydrophobicContact CZ3-CG 3.55Å; W280-Y295 PolarHBondContact N-OH 2.95Å; W280-H296 AromaticContact CG-CE1 3.71Å | ||
| 281 | F | 82 | Confident | 82.2 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | trans | -125.8 | 129 | 175.8 | -175.2 | -107.7 | 0 | 0 | 0 | 109.5 | M139 L142 Y188 I275 W276 S279 V283 H394 | M139-F281 HydrophobicContact CE-CE1 4.35Å; M139-F281 HydrophobicContact CE-CZ 4Å; M139-F281 HydrophobicContact SD-CZ 4.26Å; L142-F281 HydrophobicContact CD2-CD2 3.97Å; L142-F281 HydrophobicContact CD2-CE2 3.45Å; L142-F281 VanDerWaalsContact CD2-CE2 3.45Å; L142-F281 HydrophobicContact CD2-CZ 4.14Å; Y188-F281 HydrophobicContact CD1-CE2 4.04Å; Y188-F281 HydrophobicContact CE1-CD2 4.36Å; Y188-F281 AromaticContact CE1-CE2 3.36Å; Y188-F281 HydrophobicContact CE1-CE2 3.36Å; Y188-F281 HydrophobicContact CE1-CZ 4.01Å; Y188-F281 HydrophobicContact CE2-CE2 4.41Å; Y188-F281 HydrophobicContact CE2-CZ 4.47Å; Y188-F281 AromaticContact CZ-CE2 3.57Å; Y188-F281 AromaticContact CZ-CZ 3.72Å; Y188-F281 WeakPolarHBondContact OH-CZ 3.47Å; I275-F281 HydrophobicContact CG2-CB 3.8Å; I275-F281 HydrophobicContact CG2-CG 4.39Å; W276-F281 PolarHBondContact NE1-O 2.72Å; S279-F281 PolarHBondContact O-N 3.36Å; F281-V283 HydrophobicContact CD1-CG2 3.29Å; F281-V283 HydrophobicContact CE1-CG2 3.75Å; F281-V283 HydrophobicContact CG-CG2 4.34Å; F281-H394 AromaticContact CE1-CE1 3.71Å; F281-H394 AromaticContact CZ-CE1 3.7Å; F281-H394 AromaticContact CZ-ND1 3.64Å | ||
| 282 | N | 81.1 | Confident | 81.9 | Confident | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | trans | -88.3 | 129.6 | -179.3 | -171.1 | 36.4 | 0 | 0 | 0 | 110.9 | T288 H397 F398 | N282-T288 WeakPolarHBondContact ND2-CG2 3.24Å; N282-H397 VanDerWaalsContact ND2-C 3.31Å; N282-H397 PolarHBondContact ND2-O 2.93Å; N282-F398 HydrophobicContact CB-CD2 4.08Å | ||
| 283 | V | 73.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | trans | -129.3 | -18.4 | -162.9 | 177 | 0 | 0 | 0 | 0 | 113.4 | V251 T256 Y268 V272 W276 F281 H397 | V251-V283 HydrophobicContact CG1-CG1 4.32Å; T256-V283 HydrophobicContact CG2-CG1 3.42Å; T256-V283 VanDerWaalsContact CG2-CG1 3.42Å; Y268-V283 HydrophobicContact CE1-CG1 3.72Å; Y268-V283 VanDerWaalsContact OH-CG1 3.27Å; Y268-V283 WeakPolarHBondContact OH-CG1 3.5Å; V272-V283 HydrophobicContact CB-CG2 4.45Å; V272-V283 HydrophobicContact CG1-CB 4.47Å; V272-V283 HydrophobicContact CG1-CG1 4.46Å; V272-V283 HydrophobicContact CG1-CG2 3.54Å; V272-V283 HydrophobicContact CG2-CG1 4.31Å; V272-V283 HydrophobicContact CG2-CG2 3.96Å; W276-V283 HydrophobicContact CZ2-CB 4.32Å; W276-V283 HydrophobicContact CZ2-CG2 3.98Å; F281-V283 HydrophobicContact CD1-CG2 3.29Å; F281-V283 HydrophobicContact CE1-CG2 3.75Å; F281-V283 HydrophobicContact CG-CG2 4.34Å; V283-H397 VanDerWaalsContact C-ND1 3.25Å; V283-H397 PolarHBondContact O-CE1 2.86Å; V283-H397 PolarHBondContact O-ND1 3.01Å | ||
| 284 | A | 62 | Low | 81.6 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 5% | 0.05 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -137 | 153.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q254 R291 H397 | Q254-A284 HydrophobicContact CB-CB 3.75Å; Q254-A284 HydrophobicContact CG-CB 4.44Å; A284-R291 PolarHBondContact O-NH1 3.3Å; A284-R291 VanDerWaalsContact O-NH1 3.13Å; A284-H397 WeakPolarHBondContact CA-ND1 3.43Å; A284-H397 PolarHBondContact N-ND1 3.2Å |
| 285 | E | 55.9 | Low | 81.5 | Confident | 120 Ų | 120 | 44.1 Ų | 44.1 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -64.2 | 148.6 | 175.7 | -62 | -173.1 | 165.1 | 0 | 0 | 112.3 | R291 H397 | E285-R291 PolarHBondContact O-NH1 3.34Å; E285-R291 PolarHBondContact O-NH2 2.93Å; E285-H397 WeakPolarHBondContact CG-CD2 3.38Å; E285-H397 WeakPolarHBondContact CG-NE2 3.15Å; E285-H397 IonicContact OE1-CD2 3.89Å; E285-H397 IonicContact OE1-NE2 2.9Å |
| 286 | G | 56.8 | Low | 81.5 | Confident | 35 Ų | 35 | 44.6 Ų | 44.6 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 112.8 | -163.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T288 | G286-T288 WeakPolarHBondContact O-CG2 3.35Å; G286-T288 PolarHBondContact O-N 2.91Å |
| 287 | G | 58.7 | Low | 81.5 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | trans | -59.6 | 81.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R289 R290 | G287-R289 PolarHBondContact O-N 3.49Å; G287-R290 PolarHBondContact O-N 3.02Å | ||
| 288 | T | 73.6 | Confident | 81.5 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 17% | 0.172 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59 | -32.6 | -176.8 | 58 | 0 | 0 | 0 | 0 | 112.6 | N282 G286 S292 | N282-T288 WeakPolarHBondContact ND2-CG2 3.24Å; G286-T288 WeakPolarHBondContact O-CG2 3.35Å; G286-T288 PolarHBondContact O-N 2.91Å; T288-S292 WeakPolarHBondContact O-CB 3.48Å; T288-S292 PolarHBondContact O-N 3.44Å |
| 289 | R | 76.9 | Confident | 81.5 | Confident | 197 Ų | 197 | 51.3 Ų | 51.3 | 74% | 0.743 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -63.6 | -49.3 | -178.2 | -171.5 | 176.6 | 179.2 | 177.9 | 0.5 | 112.5 | G287 S292 I293 | G287-R289 PolarHBondContact O-N 3.49Å; R289-S292 PolarHBondContact O-N 2.73Å; R289-I293 HydrophobicContact CG-CD1 4.17Å; R289-I293 VanDerWaalsContact O-CG1 3.3Å; R289-I293 WeakPolarHBondContact O-CG1 3.4Å; R289-I293 PolarHBondContact O-N 3.34Å |
| 290 | R | 82.6 | Confident | 81.6 | Confident | 196 Ų | 196 | 53.3 Ų | 53.3 | 74% | 0.74 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.3 | -43.8 | -178.9 | -173.1 | 178.5 | -179.8 | -177.5 | 0.4 | 111.1 | G287 S292 I293 I294 | G287-R290 PolarHBondContact O-N 3.02Å; R290-S292 VanDerWaalsContact C-N 3.34Å; R290-S292 PolarHBondContact O-N 2.86Å; R290-I293 PolarHBondContact O-N 3.13Å; R290-I294 HydrophobicContact CG-CD1 4.18Å; R290-I294 WeakPolarHBondContact O-CG1 3.4Å; R290-I294 PolarHBondContact O-N 3.46Å |
| 291 | R | 86.9 | Confident | 82 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.9 | -63.9 | -178.8 | -179.5 | 155 | 2.6 | 111.5 | W280 A284 E285 I293 I294 Y295 | W280-R291 HydrophobicContact CH2-CB 3.92Å; W280-R291 HydrophobicContact CZ2-CB 4.4Å; A284-R291 PolarHBondContact O-NH1 3.3Å; A284-R291 VanDerWaalsContact O-NH1 3.13Å; E285-R291 PolarHBondContact O-NH1 3.34Å; E285-R291 PolarHBondContact O-NH2 2.93Å; R291-I293 PolarHBondContact O-N 3.41Å; R291-I294 PolarHBondContact O-N 2.72Å; R291-Y295 PolarHBondContact O-N 2.95Å |
| 292 | S | 87.8 | Confident | 82.7 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -45 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | T288 R289 R290 Y295 H296 K341 | T288-S292 WeakPolarHBondContact O-CB 3.48Å; T288-S292 PolarHBondContact O-N 3.44Å; R289-S292 PolarHBondContact O-N 2.73Å; R290-S292 VanDerWaalsContact C-N 3.34Å; R290-S292 PolarHBondContact O-N 2.86Å; S292-Y295 PolarHBondContact O-N 3Å; S292-H296 PolarHBondContact O-N 3.41Å; S292-H296 PolarHBondContact O-ND1 3.43Å; S292-H296 PolarHBondContact OG-ND1 2.84Å; S292-K341 WeakPolarHBondContact OG-CE 3.33Å; S292-K341 PolarHBondContact OG-NZ 2.83Å |
| 293 | I | 89.2 | Confident | 83.4 | Confident | 95 Ų | 95 | 57 Ų | 57 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.2 | -49 | 178.5 | -69.9 | 164.2 | 0 | 0 | 0 | 110.3 | R289 R290 R291 Y295 H296 S297 | R289-I293 HydrophobicContact CG-CD1 4.17Å; R289-I293 VanDerWaalsContact O-CG1 3.3Å; R289-I293 WeakPolarHBondContact O-CG1 3.4Å; R289-I293 PolarHBondContact O-N 3.34Å; R290-I293 PolarHBondContact O-N 3.13Å; R291-I293 PolarHBondContact O-N 3.41Å; I293-Y295 VanDerWaalsContact C-N 3.32Å; I293-Y295 PolarHBondContact O-N 2.95Å; I293-H296 PolarHBondContact O-N 2.95Å; I293-S297 WeakPolarHBondContact O-CB 3.46Å; I293-S297 PolarHBondContact O-N 3.41Å; I293-S297 PolarHBondContact O-OG 2.8Å; I293-S297 VanDerWaalsContact O-OG 3.09Å |
| 294 | I | 92.1 | Very high | 84.4 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 179.1 | -66.8 | 166.1 | 0 | 0 | 0 | 110.8 | W250 R290 R291 S297 F298 | W250-I294 HydrophobicContact CH2-CD1 4.12Å; W250-I294 HydrophobicContact CH2-CG2 4.26Å; W250-I294 HydrophobicContact CZ2-CD1 4.22Å; W250-I294 HydrophobicContact CZ2-CG2 4.16Å; R290-I294 HydrophobicContact CG-CD1 4.18Å; R290-I294 WeakPolarHBondContact O-CG1 3.4Å; R290-I294 PolarHBondContact O-N 3.46Å; R291-I294 PolarHBondContact O-N 2.72Å; I294-S297 PolarHBondContact O-N 3.37Å; I294-F298 WeakPolarHBondContact O-CB 3.43Å; I294-F298 PolarHBondContact O-N 2.85Å |
| 295 | Y | 93.3 | Very high | 86.1 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 6% | 0.059 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 178.2 | 170.8 | -86.3 | 0 | 0 | 0 | 112.6 | W276 S279 W280 R291 S292 I293 S297 F298 M299 | W276-Y295 HydrophobicContact CB-CE2 3.85Å; W276-Y295 HydrophobicContact CG-CE2 4.03Å; W276-Y295 VanDerWaalsContact O-CE2 3.23Å; W276-Y295 WeakPolarHBondContact O-CE2 3.05Å; W276-Y295 PolarHBondContact O-OH 3.03Å; S279-Y295 PolarHBondContact O-OH 3.29Å; W280-Y295 HydrophobicContact CB-CD1 4.05Å; W280-Y295 HydrophobicContact CB-CE1 3.66Å; W280-Y295 HydrophobicContact CD2-CD1 4.11Å; W280-Y295 HydrophobicContact CD2-CG 4.25Å; W280-Y295 VanDerWaalsContact CE3-CB 3.46Å; W280-Y295 AromaticContact CE3-CD1 3.44Å; W280-Y295 HydrophobicContact CE3-CD1 3.44Å; W280-Y295 VanDerWaalsContact CE3-CD1 3.44Å; W280-Y295 AromaticContact CE3-CD2 3.56Å; W280-Y295 HydrophobicContact CE3-CD2 3.56Å; W280-Y295 HydrophobicContact CE3-CE1 4.02Å; W280-Y295 HydrophobicContact CE3-CE2 4.1Å; W280-Y295 AromaticContact CE3-CG 3.18Å; W280-Y295 HydrophobicContact CE3-CG 3.18Å; W280-Y295 HydrophobicContact CG-CD1 4.41Å; W280-Y295 HydrophobicContact CG-CE1 4.47Å; W280-Y295 HydrophobicContact CZ3-CD1 4.23Å; W280-Y295 AromaticContact CZ3-CD2 3.86Å; W280-Y295 HydrophobicContact CZ3-CD2 3.86Å; W280-Y295 AromaticContact CZ3-CG 3.55Å; W280-Y295 HydrophobicContact CZ3-CG 3.55Å; W280-Y295 PolarHBondContact N-OH 2.95Å; R291-Y295 PolarHBondContact O-N 2.95Å; S292-Y295 PolarHBondContact O-N 3Å; I293-Y295 VanDerWaalsContact C-N 3.32Å; I293-Y295 PolarHBondContact O-N 2.95Å; Y295-S297 VanDerWaalsContact C-N 3.29Å; Y295-S297 PolarHBondContact O-N 3.31Å; Y295-F298 PolarHBondContact O-N 3.34Å; Y295-M299 HydrophobicContact CD1-CG 4.1Å; Y295-M299 HydrophobicContact CD2-CG 4.07Å; Y295-M299 HydrophobicContact CE1-CB 4.47Å; Y295-M299 HydrophobicContact CE1-CG 3.75Å; Y295-M299 HydrophobicContact CE2-CG 3.72Å; Y295-M299 HydrophobicContact CE2-SD 4.31Å; Y295-M299 HydrophobicContact CG-CG 4.27Å; Y295-M299 WeakPolarHBondContact O-CB 3.3Å; Y295-M299 WeakPolarHBondContact O-CG 3.36Å; Y295-M299 PolarHBondContact O-N 3.24Å |
| 296 | H | 93.6 | Very high | 88 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.3 | -31.9 | -175.3 | -69.8 | 70.3 | 0 | 0 | 0 | 111.2 | W280 S292 I293 A300 Y334 K341 | W280-H296 AromaticContact CG-CE1 3.71Å; S292-H296 PolarHBondContact O-N 3.41Å; S292-H296 PolarHBondContact O-ND1 3.43Å; S292-H296 PolarHBondContact OG-ND1 2.84Å; I293-H296 PolarHBondContact O-N 2.95Å; H296-A300 WeakPolarHBondContact O-CB 3.31Å; H296-A300 PolarHBondContact O-N 3.2Å; H296-Y334 PolarHBondContact O-OH 3.08Å; H296-K341 PolarHBondContact CE1-NZ 3.04Å; H296-K341 PolarHBondContact NE2-NZ 3Å |
| 297 | S | 93.8 | Very high | 89.8 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 170.6 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | I293 I294 Y295 M299 A300 T301 | I293-S297 WeakPolarHBondContact O-CB 3.46Å; I293-S297 PolarHBondContact O-N 3.41Å; I293-S297 PolarHBondContact O-OG 2.8Å; I293-S297 VanDerWaalsContact O-OG 3.09Å; I294-S297 PolarHBondContact O-N 3.37Å; Y295-S297 VanDerWaalsContact C-N 3.29Å; Y295-S297 PolarHBondContact O-N 3.31Å; S297-M299 PolarHBondContact O-N 3.01Å; S297-A300 PolarHBondContact O-N 2.99Å; S297-T301 PolarHBondContact O-N 3.23Å; S297-T301 PolarHBondContact O-OG1 2.8Å; S297-T301 VanDerWaalsContact O-OG1 3.09Å |
| 298 | F | 95.9 | Very high | 91.6 | Very high | 82 Ų | 82 | 59 Ų | 59 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 177.6 | 178.4 | -96.6 | 0 | 0 | 0 | 112 | I243 V246 L247 I294 Y295 A300 T301 D302 | I243-F298 HydrophobicContact CG2-CE1 4.1Å; V246-F298 HydrophobicContact CG1-CZ 4.36Å; L247-F298 HydrophobicContact CD2-CE1 4.36Å; I294-F298 WeakPolarHBondContact O-CB 3.43Å; I294-F298 PolarHBondContact O-N 2.85Å; Y295-F298 PolarHBondContact O-N 3.34Å; F298-A300 PolarHBondContact O-N 2.87Å; F298-T301 PolarHBondContact O-N 3.49Å; F298-D302 PolarHBondContact O-N 3.04Å |
| 299 | M | 94.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.034 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.3 | -32 | -180 | -65.4 | -54.1 | -69.7 | 0 | 0 | 113.1 | R221 Y277 Y295 S297 G303 | R221-M299 VanDerWaalsContact CZ-CE 3.43Å; Y277-M299 VanDerWaalsContact O-CE 3.24Å; Y277-M299 WeakPolarHBondContact O-CE 3.12Å; Y295-M299 HydrophobicContact CD1-CG 4.1Å; Y295-M299 HydrophobicContact CD2-CG 4.07Å; Y295-M299 HydrophobicContact CE1-CB 4.47Å; Y295-M299 HydrophobicContact CE1-CG 3.75Å; Y295-M299 HydrophobicContact CE2-CG 3.72Å; Y295-M299 HydrophobicContact CE2-SD 4.31Å; Y295-M299 HydrophobicContact CG-CG 4.27Å; Y295-M299 WeakPolarHBondContact O-CB 3.3Å; Y295-M299 WeakPolarHBondContact O-CG 3.36Å; Y295-M299 PolarHBondContact O-N 3.24Å; S297-M299 PolarHBondContact O-N 3.01Å; M299-G303 PolarHBondContact O-N 2.91Å |
| 300 | A | 95.1 | Very high | 93.4 | Very high | 46 Ų | 46 | 50 Ų | 50 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H296 S297 F298 G303 G304 Y334 | H296-A300 WeakPolarHBondContact O-CB 3.31Å; H296-A300 PolarHBondContact O-N 3.2Å; S297-A300 PolarHBondContact O-N 2.99Å; F298-A300 PolarHBondContact O-N 2.87Å; A300-G303 PolarHBondContact O-N 2.95Å; A300-G304 PolarHBondContact O-N 3.22Å; A300-Y334 HydrophobicContact CB-CE1 3.9Å |
| 301 | T | 95.9 | Very high | 93.9 | Very high | 89 Ų | 89 | 45.8 Ų | 45.8 | 55% | 0.546 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 174.3 | -60 | 0 | 0 | 0 | 0 | 111.1 | S297 F298 G304 I305 | S297-T301 PolarHBondContact O-N 3.23Å; S297-T301 PolarHBondContact O-OG1 2.8Å; S297-T301 VanDerWaalsContact O-OG1 3.09Å; F298-T301 PolarHBondContact O-N 3.49Å; T301-G304 PolarHBondContact O-N 2.64Å; T301-I305 HydrophobicContact CG2-CD1 4.08Å; T301-I305 WeakPolarHBondContact O-CG1 3.25Å; T301-I305 PolarHBondContact O-N 3.24Å |
| 302 | D | 96.6 | Very high | 94.2 | Very high | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 175.7 | -178.8 | 54.5 | 0 | 0 | 0 | 111.7 | R221 H239 I243 F298 G304 I305 L306 | R221-D302 IonicContact CZ-OD2 3.16Å; R221-D302 IonicContact NH1-OD2 2.64Å; R221-D302 PolarHBondContact NH1-OD2 3.26Å; R221-D302 IonicContact NH2-OD2 2.8Å; R221-D302 PolarHBondContact NH2-OD2 3.48Å; H239-D302 IonicContact CD2-OD1 3.6Å; H239-D302 IonicContact CE1-OD1 3.2Å; H239-D302 IonicContact CE1-OD2 2.92Å; H239-D302 IonicContact NE2-OD1 3.78Å; H239-D302 PolarHBondContact NE2-OD1 3.48Å; H239-D302 IonicContact NE2-OD2 3.36Å; H239-D302 PolarHBondContact NE2-OD2 3.35Å; I243-D302 HydrophobicContact CD1-CB 4.17Å; I243-D302 WeakPolarHBondContact CD1-OD1 3.15Å; I243-D302 WeakPolarHBondContact CD1-OD2 3.08Å; F298-D302 PolarHBondContact O-N 3.04Å; D302-G304 VanDerWaalsContact C-N 3.27Å; D302-G304 PolarHBondContact O-N 2.86Å; D302-I305 WeakPolarHBondContact O-CB 3.28Å; D302-I305 PolarHBondContact O-N 2.96Å; D302-L306 WeakPolarHBondContact O-CG 3.43Å; D302-L306 PolarHBondContact O-N 3.5Å |
| 303 | G | 95.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M299 A300 L306 L307 | M299-G303 PolarHBondContact O-N 2.91Å; A300-G303 PolarHBondContact O-N 2.95Å; G303-L306 PolarHBondContact O-N 3.09Å; G303-L307 VanDerWaalsContact O-CG 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.42Å; G303-L307 PolarHBondContact O-N 3.04Å |
| 304 | G | 96.1 | Very high | 94.4 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A300 T301 D302 L306 L307 V308 | A300-G304 PolarHBondContact O-N 3.22Å; T301-G304 PolarHBondContact O-N 2.64Å; D302-G304 VanDerWaalsContact C-N 3.27Å; D302-G304 PolarHBondContact O-N 2.86Å; G304-L306 VanDerWaalsContact C-N 3.34Å; G304-L306 PolarHBondContact O-N 2.92Å; G304-L307 PolarHBondContact O-N 2.95Å; G304-V308 WeakPolarHBondContact O-CB 3.47Å; G304-V308 WeakPolarHBondContact O-CG2 3.17Å; G304-V308 PolarHBondContact O-N 3.38Å |
| 305 | I | 95.8 | Very high | 94.2 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 177.2 | -68.3 | 165.1 | 0 | 0 | 0 | 110.7 | T301 D302 V308 T309 | T301-I305 HydrophobicContact CG2-CD1 4.08Å; T301-I305 WeakPolarHBondContact O-CG1 3.25Å; T301-I305 PolarHBondContact O-N 3.24Å; D302-I305 WeakPolarHBondContact O-CB 3.28Å; D302-I305 PolarHBondContact O-N 2.96Å; I305-V308 PolarHBondContact O-N 3.35Å; I305-T309 VanDerWaalsContact O-CB 3.31Å; I305-T309 WeakPolarHBondContact O-CB 3.43Å; I305-T309 PolarHBondContact O-N 3.4Å; I305-T309 PolarHBondContact O-OG1 3.21Å |
| 306 | L | 96.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 178 | -63.6 | 174.5 | 0 | 0 | 0 | 112 | V225 F228 H239 D302 G303 G304 T309 W310 | V225-L306 HydrophobicContact CG2-CD1 3.9Å; F228-L306 HydrophobicContact CB-CB 4.25Å; F228-L306 HydrophobicContact CB-CD2 3.9Å; F228-L306 HydrophobicContact CD1-CD2 3.92Å; F228-L306 HydrophobicContact CD2-CD2 3.81Å; F228-L306 HydrophobicContact CE1-CD2 4.41Å; F228-L306 HydrophobicContact CE2-CD2 4.31Å; F228-L306 HydrophobicContact CG-CD2 3.59Å; H239-L306 VanDerWaalsContact CE1-CD2 3.48Å; H239-L306 WeakPolarHBondContact CE1-CD2 3.28Å; D302-L306 WeakPolarHBondContact O-CG 3.43Å; D302-L306 PolarHBondContact O-N 3.5Å; G303-L306 PolarHBondContact O-N 3.09Å; G304-L306 VanDerWaalsContact C-N 3.34Å; G304-L306 PolarHBondContact O-N 2.92Å; L306-T309 PolarHBondContact O-N 3.22Å; L306-W310 WeakPolarHBondContact O-CB 3.5Å; L306-W310 PolarHBondContact O-N 3.29Å |
| 307 | L | 95.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | 179.9 | -69.5 | 178 | 0 | 0 | 0 | 112.4 | A224 L227 G303 G304 W310 W311 L327 L330 P331 | A224-L307 HydrophobicContact CB-CD2 4.1Å; A224-L307 HydrophobicContact CB-CG 4.29Å; L227-L307 HydrophobicContact CD1-CD2 3.96Å; G303-L307 VanDerWaalsContact O-CG 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.42Å; G303-L307 PolarHBondContact O-N 3.04Å; G304-L307 PolarHBondContact O-N 2.95Å; L307-W310 PolarHBondContact O-N 3.18Å; L307-W311 WeakPolarHBondContact O-CB 3.42Å; L307-W311 PolarHBondContact O-N 3.34Å; L307-L327 HydrophobicContact CB-CD2 3.9Å; L307-L327 HydrophobicContact CD2-CD2 4.43Å; L307-L330 HydrophobicContact CD1-CB 4.33Å; L307-L330 HydrophobicContact CD2-CD1 3.79Å; L307-P331 HydrophobicContact CD1-CG 4.03Å |
| 308 | V | 95 | Very high | 92.9 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 47% | 0.473 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 176 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | G304 I305 W310 W311 F312 | G304-V308 WeakPolarHBondContact O-CB 3.47Å; G304-V308 WeakPolarHBondContact O-CG2 3.17Å; G304-V308 PolarHBondContact O-N 3.38Å; I305-V308 PolarHBondContact O-N 3.35Å; V308-W310 VanDerWaalsContact C-N 3.34Å; V308-W310 PolarHBondContact O-N 3.25Å; V308-W311 WeakPolarHBondContact O-CB 3.08Å; V308-W311 PolarHBondContact O-N 2.98Å; V308-F312 HydrophobicContact CG1-CD2 3.77Å; V308-F312 HydrophobicContact CG1-CE2 3.51Å; V308-F312 WeakPolarHBondContact O-CD2 3.35Å; V308-F312 PolarHBondContact O-N 3.38Å |
| 309 | T | 94.4 | Very high | 92.3 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 110.4 | F228 I231 L232 I305 L306 W311 F312 Y313 | F228-T309 HydrophobicContact CD2-CG2 4.33Å; F228-T309 HydrophobicContact CE2-CG2 4Å; I231-T309 HydrophobicContact CD1-CG2 3.93Å; L232-T309 HydrophobicContact CD1-CG2 4.5Å; I305-T309 VanDerWaalsContact O-CB 3.31Å; I305-T309 WeakPolarHBondContact O-CB 3.43Å; I305-T309 PolarHBondContact O-N 3.4Å; I305-T309 PolarHBondContact O-OG1 3.21Å; L306-T309 PolarHBondContact O-N 3.22Å; T309-W311 VanDerWaalsContact C-N 3.32Å; T309-W311 PolarHBondContact O-N 3.44Å; T309-F312 PolarHBondContact O-N 3.22Å; T309-Y313 HydrophobicContact CG2-CD2 3.91Å; T309-Y313 HydrophobicContact CG2-CE2 4.15Å; T309-Y313 WeakPolarHBondContact O-CD2 3.28Å; T309-Y313 PolarHBondContact O-N 3.32Å |
| 310 | W | 94.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.011 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 174.4 | -178.7 | 76.2 | 0 | 0 | 0 | 112.4 | L227 T230 L306 L307 V308 F312 Y313 R314 T319 Y322 A323 L327 | L227-W310 HydrophobicContact CB-CD2 4.26Å; L227-W310 HydrophobicContact CB-CG 4.02Å; L227-W310 HydrophobicContact CD2-CD2 4.19Å; L227-W310 HydrophobicContact CD2-CH2 4.22Å; L227-W310 HydrophobicContact CD2-CZ2 3.66Å; T230-W310 PolarHBondContact OG1-NE1 3.06Å; L306-W310 WeakPolarHBondContact O-CB 3.5Å; L306-W310 PolarHBondContact O-N 3.29Å; L307-W310 PolarHBondContact O-N 3.18Å; V308-W310 VanDerWaalsContact C-N 3.34Å; V308-W310 PolarHBondContact O-N 3.25Å; W310-F312 VanDerWaalsContact C-N 3.32Å; W310-F312 PolarHBondContact O-N 3Å; W310-Y313 PolarHBondContact O-N 2.93Å; W310-R314 HydrophobicContact CD2-CB 4.46Å; W310-R314 HydrophobicContact CZ2-CB 4.28Å; W310-R314 VanDerWaalsContact O-CB 3.24Å; W310-R314 WeakPolarHBondContact O-CB 3.46Å; W310-R314 PolarHBondContact O-N 3.26Å; W310-T319 HydrophobicContact CZ2-CG2 4.46Å; W310-Y322 HydrophobicContact CH2-CE2 4.22Å; W310-Y322 HydrophobicContact CZ2-CE2 4.14Å; W310-A323 HydrophobicContact CH2-CB 3.52Å; W310-A323 HydrophobicContact CZ3-CB 3.81Å; W310-L327 HydrophobicContact CZ3-CG 4.41Å |
| 311 | W | 93.4 | Very high | 91.4 | Very high | 106 Ų | 106 | 69.3 Ų | 69.3 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 179 | 176.3 | -104.6 | 0 | 0 | 0 | 113.7 | L307 V308 T309 R314 A323 L327 | L307-W311 WeakPolarHBondContact O-CB 3.42Å; L307-W311 PolarHBondContact O-N 3.34Å; V308-W311 WeakPolarHBondContact O-CB 3.08Å; V308-W311 PolarHBondContact O-N 2.98Å; T309-W311 VanDerWaalsContact C-N 3.32Å; T309-W311 PolarHBondContact O-N 3.44Å; W311-R314 VanDerWaalsContact CZ3-CZ 3.46Å; W311-R314 VanDerWaalsContact CZ3-NE 3.33Å; W311-A323 HydrophobicContact CZ3-CB 4.16Å; W311-L327 HydrophobicContact CB-CD1 4.24Å; W311-L327 HydrophobicContact CD2-CD1 3.65Å; W311-L327 HydrophobicContact CE3-CD1 3.14Å; W311-L327 HydrophobicContact CE3-CG 4.37Å; W311-L327 HydrophobicContact CG-CD1 4.14Å; W311-L327 HydrophobicContact CZ3-CD1 3.61Å |
| 312 | F | 92.8 | Very high | 90.9 | Very high | 150 Ų | 150 | 67.4 Ų | 67.4 | 66% | 0.658 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -77 | -31.3 | -178.2 | -77.4 | -65.3 | 0 | 0 | 0 | 113.9 | V308 T309 W310 | V308-F312 HydrophobicContact CG1-CD2 3.77Å; V308-F312 HydrophobicContact CG1-CE2 3.51Å; V308-F312 WeakPolarHBondContact O-CD2 3.35Å; V308-F312 PolarHBondContact O-N 3.38Å; T309-F312 PolarHBondContact O-N 3.22Å; W310-F312 VanDerWaalsContact C-N 3.32Å; W310-F312 PolarHBondContact O-N 3Å |
| 313 | Y | 91.3 | Very high | 90.6 | Very high | 165 Ų | 165 | 66.7 Ų | 66.7 | 65% | 0.647 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -107.1 | -1.4 | -175 | -66.8 | -82.2 | 0 | 0 | 0 | 114.3 | I231 T309 W310 | I231-Y313 HydrophobicContact CD1-CD2 4.4Å; I231-Y313 HydrophobicContact CD1-CG 4.47Å; T309-Y313 HydrophobicContact CG2-CD2 3.91Å; T309-Y313 HydrophobicContact CG2-CE2 4.15Å; T309-Y313 WeakPolarHBondContact O-CD2 3.28Å; T309-Y313 PolarHBondContact O-N 3.32Å; W310-Y313 PolarHBondContact O-N 2.93Å |
| 314 | R | 90.1 | Very high | 90.3 | Very high | 35 Ų | 35 | 69.3 Ų | 69.3 | 13% | 0.132 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -65.7 | 151.3 | 175.9 | 70.7 | -176 | -174.8 | 93.3 | 4.1 | 111.7 | W310 W311 P316 T319 | W310-R314 HydrophobicContact CD2-CB 4.46Å; W310-R314 HydrophobicContact CZ2-CB 4.28Å; W310-R314 VanDerWaalsContact O-CB 3.24Å; W310-R314 WeakPolarHBondContact O-CB 3.46Å; W310-R314 PolarHBondContact O-N 3.26Å; W311-R314 VanDerWaalsContact CZ3-CZ 3.46Å; W311-R314 VanDerWaalsContact CZ3-NE 3.33Å; R314-P316 VanDerWaalsContact O-CD 3.29Å; R314-P316 WeakPolarHBondContact O-CD 3.11Å; R314-T319 WeakPolarHBondContact CD-OG1 3.16Å; R314-T319 PolarHBondContact NH1-OG1 3.38Å |
| 315 | D | 87.5 | Confident | 90.1 | Very high | 78 Ų | 78 | 72.7 Ų | 72.7 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | trans | -67.4 | 114.7 | 164.3 | -176.2 | -44.1 | 0 | 0 | 0 | 109.2 | V317 L318 T319 | D315-V317 VanDerWaalsContact C-N 3.3Å; D315-V317 PolarHBondContact O-N 3.35Å; D315-V317 WeakPolarHBondContact OD1-CB 3.23Å; D315-V317 PolarHBondContact OD1-N 3.46Å; D315-L318 HydrophobicContact CB-CB 4.32Å; D315-L318 HydrophobicContact CB-CD1 4.43Å; D315-L318 PolarHBondContact OD1-N 3.06Å; D315-L318 VanDerWaalsContact OD1-N 3.11Å; D315-T319 WeakPolarHBondContact O-CB 3.48Å; D315-T319 WeakPolarHBondContact O-CG2 3.42Å; D315-T319 PolarHBondContact O-N 3.02Å; D315-T319 PolarHBondContact O-OG1 2.6Å | ||
| 316 | P | 85.8 | Confident | 89.9 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.5 | -30.3 | -174.4 | 26.3 | -32.6 | 0 | 0 | 0 | 112.5 | R314 Q320 | R314-P316 VanDerWaalsContact O-CD 3.29Å; R314-P316 WeakPolarHBondContact O-CD 3.11Å; P316-Q320 VanDerWaalsContact O-CB 3.28Å; P316-Q320 WeakPolarHBondContact O-CB 3.39Å; P316-Q320 PolarHBondContact O-N 3.47Å |
| 317 | V | 85.2 | Confident | 89.8 | Confident | 119 Ų | 119 | 72.3 Ų | 72.3 | 72% | 0.721 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -76.7 | -47.5 | -175 | -180 | 0 | 0 | 0 | 0 | 110.6 | D315 T319 | D315-V317 VanDerWaalsContact C-N 3.3Å; D315-V317 PolarHBondContact O-N 3.35Å; D315-V317 WeakPolarHBondContact OD1-CB 3.23Å; D315-V317 PolarHBondContact OD1-N 3.46Å; V317-T319 VanDerWaalsContact C-N 3.34Å; V317-T319 PolarHBondContact O-N 2.89Å |
| 318 | L | 82 | Confident | 89.7 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73 | -26.4 | -176.3 | -71.3 | 175 | 0 | 0 | 0 | 113.7 | N164 D315 | N164-L318 PolarHBondContact ND2-O 2.7Å; D315-L318 HydrophobicContact CB-CB 4.32Å; D315-L318 HydrophobicContact CB-CD1 4.43Å; D315-L318 PolarHBondContact OD1-N 3.06Å; D315-L318 VanDerWaalsContact OD1-N 3.11Å |
| 319 | T | 84.7 | Confident | 89.7 | Confident | 12 Ų | 12 | 73 Ų | 73 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -111.3 | -2 | -169.3 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | W310 R314 D315 V317 S321 Y322 A323 | W310-T319 HydrophobicContact CZ2-CG2 4.46Å; R314-T319 WeakPolarHBondContact CD-OG1 3.16Å; R314-T319 PolarHBondContact NH1-OG1 3.38Å; D315-T319 WeakPolarHBondContact O-CB 3.48Å; D315-T319 WeakPolarHBondContact O-CG2 3.42Å; D315-T319 PolarHBondContact O-N 3.02Å; D315-T319 PolarHBondContact O-OG1 2.6Å; V317-T319 VanDerWaalsContact C-N 3.34Å; V317-T319 PolarHBondContact O-N 2.89Å; T319-S321 VanDerWaalsContact C-N 3.27Å; T319-S321 PolarHBondContact O-N 3.17Å; T319-Y322 HydrophobicContact CG2-CE1 4.5Å; T319-Y322 HydrophobicContact CG2-CE2 4.23Å; T319-Y322 WeakPolarHBondContact CG2-OH 3.12Å; T319-Y322 PolarHBondContact O-N 2.83Å; T319-A323 WeakPolarHBondContact O-CB 3.45Å; T319-A323 PolarHBondContact O-N 2.72Å |
| 320 | Q | 85 | Confident | 89.8 | Confident | 138 Ų | 138 | 72.1 Ų | 72.1 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -36.3 | -174.9 | -159.2 | 171.4 | -16.8 | 0 | 0 | 114.3 | P316 P324 | P316-Q320 VanDerWaalsContact O-CB 3.28Å; P316-Q320 WeakPolarHBondContact O-CB 3.39Å; P316-Q320 PolarHBondContact O-N 3.47Å; Q320-P324 WeakPolarHBondContact O-CD 3.3Å |
| 321 | S | 84.6 | Confident | 89.8 | Confident | 94 Ų | 94 | 74.5 Ų | 74.5 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -33.7 | -173.8 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | T319 | T319-S321 VanDerWaalsContact C-N 3.27Å; T319-S321 PolarHBondContact O-N 3.17Å |
| 322 | Y | 86.1 | Confident | 89.9 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 19% | 0.192 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -21 | -176.3 | 60.8 | -102 | 0 | 0 | 0 | 113.9 | W310 T319 I325 L326 | W310-Y322 HydrophobicContact CH2-CE2 4.22Å; W310-Y322 HydrophobicContact CZ2-CE2 4.14Å; T319-Y322 HydrophobicContact CG2-CE1 4.5Å; T319-Y322 HydrophobicContact CG2-CE2 4.23Å; T319-Y322 WeakPolarHBondContact CG2-OH 3.12Å; T319-Y322 PolarHBondContact O-N 2.83Å; Y322-I325 PolarHBondContact O-N 3.21Å; Y322-L326 HydrophobicContact CD2-CD1 3.62Å; Y322-L326 HydrophobicContact CD2-CG 4.36Å; Y322-L326 HydrophobicContact CE2-CD1 4.22Å; Y322-L326 WeakPolarHBondContact O-CG 3.37Å; Y322-L326 PolarHBondContact O-N 3.39Å |
| 323 | A | 89.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -54.2 | -50.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | W310 W311 T319 I325 L326 L327 | W310-A323 HydrophobicContact CH2-CB 3.52Å; W310-A323 HydrophobicContact CZ3-CB 3.81Å; W311-A323 HydrophobicContact CZ3-CB 4.16Å; T319-A323 WeakPolarHBondContact O-CB 3.45Å; T319-A323 PolarHBondContact O-N 2.72Å; A323-I325 VanDerWaalsContact C-N 3.29Å; A323-I325 PolarHBondContact O-N 2.88Å; A323-L326 PolarHBondContact O-N 3.36Å; A323-L327 WeakPolarHBondContact O-CB 3.46Å; A323-L327 WeakPolarHBondContact O-CG 3.41Å; A323-L327 PolarHBondContact O-N 2.92Å |
| 324 | P | 90.1 | Very high | 90.3 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 44% | 0.442 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.3 | -34 | -179.8 | 26.8 | -33.9 | 0 | 0 | 0 | 111.8 | Q320 A328 | Q320-P324 WeakPolarHBondContact O-CD 3.3Å; P324-A328 WeakPolarHBondContact O-CB 3.33Å; P324-A328 PolarHBondContact O-N 3.44Å; P324-A328 VanDerWaalsContact O-N 3.09Å |
| 325 | I | 91.7 | Very high | 90.6 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -51.1 | 176.1 | -60.9 | 174.4 | 0 | 0 | 0 | 109 | Y322 A323 L327 A328 T329 | Y322-I325 PolarHBondContact O-N 3.21Å; A323-I325 VanDerWaalsContact C-N 3.29Å; A323-I325 PolarHBondContact O-N 2.88Å; I325-L327 PolarHBondContact O-N 3Å; I325-A328 PolarHBondContact O-N 3.38Å; I325-T329 HydrophobicContact CG2-CG2 3.99Å; I325-T329 WeakPolarHBondContact O-CB 3.41Å; I325-T329 WeakPolarHBondContact O-CG2 3.45Å; I325-T329 PolarHBondContact O-N 3.29Å; I325-T329 PolarHBondContact O-OG1 3.08Å |
| 326 | L | 92 | Very high | 91 | Very high | 43 Ų | 43 | 67.7 Ų | 67.7 | 23% | 0.225 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 179.4 | -67.8 | -177.4 | 0 | 0 | 0 | 112.8 | L227 Y322 A323 A328 T329 L330 | L227-L326 HydrophobicContact CD1-CD1 4.26Å; L227-L326 HydrophobicContact CD2-CD1 4.08Å; Y322-L326 HydrophobicContact CD2-CD1 3.62Å; Y322-L326 HydrophobicContact CD2-CG 4.36Å; Y322-L326 HydrophobicContact CE2-CD1 4.22Å; Y322-L326 WeakPolarHBondContact O-CG 3.37Å; Y322-L326 PolarHBondContact O-N 3.39Å; A323-L326 PolarHBondContact O-N 3.36Å; L326-A328 VanDerWaalsContact C-N 3.26Å; L326-A328 PolarHBondContact O-N 2.88Å; L326-T329 WeakPolarHBondContact CA-OG1 3.36Å; L326-T329 PolarHBondContact O-N 2.9Å; L326-L330 HydrophobicContact CB-CD1 4.33Å; L326-L330 WeakPolarHBondContact O-CB 3.35Å; L326-L330 VanDerWaalsContact O-CG 3.22Å; L326-L330 WeakPolarHBondContact O-CG 3.11Å; L326-L330 PolarHBondContact O-N 3.44Å |
| 327 | L | 93.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 63.9 Ų | 63.9 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -30.4 | 177.1 | -79.5 | -179.5 | 0 | 0 | 0 | 113.3 | L307 W310 W311 A323 I325 P331 | L307-L327 HydrophobicContact CB-CD2 3.9Å; L307-L327 HydrophobicContact CD2-CD2 4.43Å; W310-L327 HydrophobicContact CZ3-CG 4.41Å; W311-L327 HydrophobicContact CB-CD1 4.24Å; W311-L327 HydrophobicContact CD2-CD1 3.65Å; W311-L327 HydrophobicContact CE3-CD1 3.14Å; W311-L327 HydrophobicContact CE3-CG 4.37Å; W311-L327 HydrophobicContact CG-CD1 4.14Å; W311-L327 HydrophobicContact CZ3-CD1 3.61Å; A323-L327 WeakPolarHBondContact O-CB 3.46Å; A323-L327 WeakPolarHBondContact O-CG 3.41Å; A323-L327 PolarHBondContact O-N 2.92Å; I325-L327 PolarHBondContact O-N 3Å; L327-P331 WeakPolarHBondContact O-CD 3.29Å; L327-P331 VanDerWaalsContact O-CG 3.3Å; L327-P331 WeakPolarHBondContact O-CG 3.32Å |
| 328 | A | 93.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 60.3 Ų | 60.3 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -81.5 | -46.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P324 I325 L326 L332 | P324-A328 WeakPolarHBondContact O-CB 3.33Å; P324-A328 PolarHBondContact O-N 3.44Å; P324-A328 VanDerWaalsContact O-N 3.09Å; I325-A328 PolarHBondContact O-N 3.38Å; L326-A328 VanDerWaalsContact C-N 3.26Å; L326-A328 PolarHBondContact O-N 2.88Å; A328-L332 WeakPolarHBondContact O-CB 3.31Å; A328-L332 VanDerWaalsContact O-CD1 3.32Å; A328-L332 WeakPolarHBondContact O-CD1 3.48Å; A328-L332 WeakPolarHBondContact O-CG 3.36Å; A328-L332 PolarHBondContact O-N 3.14Å |
| 329 | T | 95 | Very high | 92.3 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.6 | -42.2 | -171.4 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | I325 L326 L332 T333 | I325-T329 HydrophobicContact CG2-CG2 3.99Å; I325-T329 WeakPolarHBondContact O-CB 3.41Å; I325-T329 WeakPolarHBondContact O-CG2 3.45Å; I325-T329 PolarHBondContact O-N 3.29Å; I325-T329 PolarHBondContact O-OG1 3.08Å; L326-T329 WeakPolarHBondContact CA-OG1 3.36Å; L326-T329 PolarHBondContact O-N 2.9Å; T329-L332 PolarHBondContact O-N 3.34Å; T329-T333 WeakPolarHBondContact O-CB 3.22Å; T329-T333 PolarHBondContact O-N 3.17Å; T329-T333 PolarHBondContact O-OG1 2.93Å |
| 330 | L | 95.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 9% | 0.089 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | -174.9 | -62.7 | 174.7 | 0 | 0 | 0 | 113 | P220 A223 L227 L307 L326 T333 Y334 | P220-L330 HydrophobicContact CB-CB 4.29Å; P220-L330 HydrophobicContact CB-CD2 4.14Å; P220-L330 WeakPolarHBondContact CB-O 3.31Å; A223-L330 HydrophobicContact CB-CD1 4.23Å; A223-L330 HydrophobicContact CB-CD2 3.68Å; L227-L330 HydrophobicContact CD1-CD1 3.58Å; L307-L330 HydrophobicContact CD1-CB 4.33Å; L307-L330 HydrophobicContact CD2-CD1 3.79Å; L326-L330 HydrophobicContact CB-CD1 4.33Å; L326-L330 WeakPolarHBondContact O-CB 3.35Å; L326-L330 VanDerWaalsContact O-CG 3.22Å; L326-L330 WeakPolarHBondContact O-CG 3.11Å; L326-L330 PolarHBondContact O-N 3.44Å; L330-T333 PolarHBondContact O-N 3.05Å; L330-Y334 PolarHBondContact O-N 3.38Å |
| 331 | P | 95.7 | Very high | 92.9 | Very high | 54 Ų | 54 | 56.6 Ų | 56.6 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 174.1 | -22.6 | 35.4 | 0 | 0 | 0 | 112.7 | L307 L327 T333 Y334 L335 | L307-P331 HydrophobicContact CD1-CG 4.03Å; L327-P331 WeakPolarHBondContact O-CD 3.29Å; L327-P331 VanDerWaalsContact O-CG 3.3Å; L327-P331 WeakPolarHBondContact O-CG 3.32Å; P331-T333 PolarHBondContact O-N 3.07Å; P331-Y334 PolarHBondContact O-N 3.45Å; P331-L335 VanDerWaalsContact O-CG 3.31Å; P331-L335 WeakPolarHBondContact O-CG 3.37Å; P331-L335 PolarHBondContact O-N 2.91Å |
| 332 | L | 96.2 | Very high | 93.1 | Very high | 112 Ų | 112 | 56 Ų | 56 | 59% | 0.586 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 178.5 | -71.6 | 174.3 | 0 | 0 | 0 | 111.9 | A328 T329 L335 M336 | A328-L332 WeakPolarHBondContact O-CB 3.31Å; A328-L332 VanDerWaalsContact O-CD1 3.32Å; A328-L332 WeakPolarHBondContact O-CD1 3.48Å; A328-L332 WeakPolarHBondContact O-CG 3.36Å; A328-L332 PolarHBondContact O-N 3.14Å; T329-L332 PolarHBondContact O-N 3.34Å; L332-L335 PolarHBondContact O-N 3.39Å; L332-M336 WeakPolarHBondContact O-CB 3.49Å; L332-M336 PolarHBondContact O-N 2.99Å |
| 333 | T | 96.3 | Very high | 93.1 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 174.5 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | L216 P220 T329 L330 P331 M336 G337 | L216-T333 HydrophobicContact CB-CG2 4.31Å; L216-T333 HydrophobicContact CD2-CG2 3.58Å; P220-T333 HydrophobicContact CG-CG2 4.16Å; T329-T333 WeakPolarHBondContact O-CB 3.22Å; T329-T333 PolarHBondContact O-N 3.17Å; T329-T333 PolarHBondContact O-OG1 2.93Å; L330-T333 PolarHBondContact O-N 3.05Å; P331-T333 PolarHBondContact O-N 3.07Å; T333-M336 WeakPolarHBondContact O-CB 3.5Å; T333-M336 PolarHBondContact O-N 3.45Å; T333-G337 PolarHBondContact O-N 3.18Å |
| 334 | Y | 95.4 | Very high | 92.9 | Very high | 34 Ų | 34 | 57.2 Ų | 57.2 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.1 | -174 | -90.3 | 0 | 0 | 0 | 112 | L217 P220 H296 A300 L330 P331 M336 G337 V338 | L217-Y334 HydrophobicContact CD2-CD2 3.8Å; L217-Y334 HydrophobicContact CD2-CE1 4.45Å; L217-Y334 HydrophobicContact CD2-CE2 3.69Å; L217-Y334 HydrophobicContact CD2-CG 4.26Å; P220-Y334 HydrophobicContact CG-CD2 4.15Å; H296-Y334 PolarHBondContact O-OH 3.08Å; A300-Y334 HydrophobicContact CB-CE1 3.9Å; L330-Y334 PolarHBondContact O-N 3.38Å; P331-Y334 PolarHBondContact O-N 3.45Å; Y334-M336 VanDerWaalsContact C-N 3.32Å; Y334-M336 PolarHBondContact O-N 2.95Å; Y334-G337 WeakPolarHBondContact O-CA 3.41Å; Y334-G337 PolarHBondContact O-N 2.97Å; Y334-G337 VanDerWaalsContact O-N 3.11Å; Y334-V338 HydrophobicContact CD1-CG2 4.25Å; Y334-V338 HydrophobicContact CE1-CG2 3.97Å; Y334-V338 PolarHBondContact O-N 3.42Å |
| 335 | L | 95.5 | Very high | 92.5 | Very high | 111 Ų | 111 | 57 Ų | 57 | 58% | 0.581 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 175.5 | -70.1 | 174.3 | 0 | 0 | 0 | 111.9 | P331 L332 G337 V338 L339 | P331-L335 VanDerWaalsContact O-CG 3.31Å; P331-L335 WeakPolarHBondContact O-CG 3.37Å; P331-L335 PolarHBondContact O-N 2.91Å; L332-L335 PolarHBondContact O-N 3.39Å; L335-G337 VanDerWaalsContact C-N 3.31Å; L335-G337 PolarHBondContact O-N 2.89Å; L335-V338 PolarHBondContact O-N 2.87Å; L335-L339 PolarHBondContact O-N 3.42Å |
| 336 | M | 96.1 | Very high | 92 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 174 | -169.2 | 65.9 | 69.5 | 0 | 0 | 111.6 | L216 L332 T333 Y334 L339 F340 | L216-M336 HydrophobicContact CD1-CB 4.44Å; L216-M336 HydrophobicContact CD1-CG 3.98Å; L332-M336 WeakPolarHBondContact O-CB 3.49Å; L332-M336 PolarHBondContact O-N 2.99Å; T333-M336 WeakPolarHBondContact O-CB 3.5Å; T333-M336 PolarHBondContact O-N 3.45Å; Y334-M336 VanDerWaalsContact C-N 3.32Å; Y334-M336 PolarHBondContact O-N 2.95Å; M336-L339 WeakPolarHBondContact O-CB 3.37Å; M336-L339 PolarHBondContact O-N 3.32Å; M336-L339 HydrophobicContact SD-CD2 4.01Å; M336-F340 HydrophobicContact CG-CD2 3.9Å; M336-F340 HydrophobicContact CG-CE2 3.67Å; M336-F340 VanDerWaalsContact O-CD2 3.32Å; M336-F340 WeakPolarHBondContact O-CD2 3.43Å; M336-F340 PolarHBondContact O-N 3.33Å; M336-F340 HydrophobicContact SD-CD2 4.44Å; M336-F340 HydrophobicContact SD-CE2 4.01Å |
| 337 | G | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T333 Y334 L335 L339 F340 K341 | T333-G337 PolarHBondContact O-N 3.18Å; Y334-G337 WeakPolarHBondContact O-CA 3.41Å; Y334-G337 PolarHBondContact O-N 2.97Å; Y334-G337 VanDerWaalsContact O-N 3.11Å; L335-G337 VanDerWaalsContact C-N 3.31Å; L335-G337 PolarHBondContact O-N 2.89Å; G337-L339 VanDerWaalsContact C-N 3.31Å; G337-L339 PolarHBondContact O-N 2.98Å; G337-F340 PolarHBondContact O-N 3.41Å; G337-K341 WeakPolarHBondContact O-CB 3.43Å; G337-K341 PolarHBondContact O-N 2.86Å |
| 338 | V | 93.6 | Very high | 90.5 | Very high | 43 Ų | 43 | 64.5 Ų | 64.5 | 26% | 0.261 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.3 | -31.2 | 174 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | L217 Y334 L335 K341 T342 | L217-V338 HydrophobicContact CD2-CG2 3.86Å; Y334-V338 HydrophobicContact CD1-CG2 4.25Å; Y334-V338 HydrophobicContact CE1-CG2 3.97Å; Y334-V338 PolarHBondContact O-N 3.42Å; L335-V338 PolarHBondContact O-N 2.87Å; V338-K341 VanDerWaalsContact O-CB 3.28Å; V338-K341 WeakPolarHBondContact O-CB 3.39Å; V338-T342 PolarHBondContact O-N 3.08Å; V338-T342 VanDerWaalsContact O-N 3.08Å; V338-T342 PolarHBondContact O-OG1 2.95Å |
| 339 | L | 93.1 | Very high | 89.5 | Confident | 106 Ų | 106 | 63.9 Ų | 63.9 | 56% | 0.555 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.9 | -50 | 173.4 | -179.4 | 63.4 | 0 | 0 | 0 | 111.2 | L335 M336 G337 K341 T342 L343 | L335-L339 PolarHBondContact O-N 3.42Å; M336-L339 WeakPolarHBondContact O-CB 3.37Å; M336-L339 PolarHBondContact O-N 3.32Å; M336-L339 HydrophobicContact SD-CD2 4.01Å; G337-L339 VanDerWaalsContact C-N 3.31Å; G337-L339 PolarHBondContact O-N 2.98Å; L339-K341 PolarHBondContact O-N 2.91Å; L339-T342 WeakPolarHBondContact O-CB 3.16Å; L339-T342 PolarHBondContact O-N 2.7Å; L339-L343 PolarHBondContact O-N 3.44Å |
| 340 | F | 92.3 | Very high | 88.1 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -33.7 | 175.9 | -79.6 | -62.1 | 0 | 0 | 0 | 112.4 | V209 W213 L216 M336 G337 L343 Y344 | V209-F340 HydrophobicContact CG1-CD1 4.33Å; W213-F340 HydrophobicContact CB-CB 3.75Å; L216-F340 HydrophobicContact CD1-CD2 3.38Å; L216-F340 HydrophobicContact CD1-CE2 3.56Å; M336-F340 HydrophobicContact CG-CD2 3.9Å; M336-F340 HydrophobicContact CG-CE2 3.67Å; M336-F340 VanDerWaalsContact O-CD2 3.32Å; M336-F340 WeakPolarHBondContact O-CD2 3.43Å; M336-F340 PolarHBondContact O-N 3.33Å; M336-F340 HydrophobicContact SD-CD2 4.44Å; M336-F340 HydrophobicContact SD-CE2 4.01Å; G337-F340 PolarHBondContact O-N 3.41Å; F340-L343 HydrophobicContact CD1-CD2 4.15Å; F340-L343 HydrophobicContact CE1-CD2 4.47Å; F340-L343 PolarHBondContact O-N 3.5Å; F340-Y344 WeakPolarHBondContact O-CB 3.32Å; F340-Y344 PolarHBondContact O-N 3.33Å |
| 341 | K | 89.9 | Confident | 86.4 | Confident | 10 Ų | 10 | 63 Ų | 63 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.7 | -56.9 | 167.6 | 179.7 | 149.3 | -175.1 | 172.2 | 0 | 111.5 | W213 S292 H296 G337 V338 L339 L343 Y344 Y345 | W213-K341 HydrophobicContact CD2-CB 4.43Å; W213-K341 HydrophobicContact CE3-CB 3.36Å; W213-K341 HydrophobicContact CE3-CD 3.57Å; W213-K341 HydrophobicContact CE3-CG 3.38Å; W213-K341 HydrophobicContact CZ3-CB 3.94Å; W213-K341 HydrophobicContact CZ3-CD 3.35Å; W213-K341 HydrophobicContact CZ3-CG 3.36Å; S292-K341 WeakPolarHBondContact OG-CE 3.33Å; S292-K341 PolarHBondContact OG-NZ 2.83Å; H296-K341 PolarHBondContact CE1-NZ 3.04Å; H296-K341 PolarHBondContact NE2-NZ 3Å; G337-K341 WeakPolarHBondContact O-CB 3.43Å; G337-K341 PolarHBondContact O-N 2.86Å; V338-K341 VanDerWaalsContact O-CB 3.28Å; V338-K341 WeakPolarHBondContact O-CB 3.39Å; L339-K341 PolarHBondContact O-N 2.91Å; K341-L343 VanDerWaalsContact C-N 3.27Å; K341-L343 PolarHBondContact O-N 2.84Å; K341-Y344 WeakPolarHBondContact O-CB 3.42Å; K341-Y344 PolarHBondContact O-N 3.26Å; K341-Y344 VanDerWaalsContact O-N 3.14Å; K341-Y345 HydrophobicContact CG-CD2 4.14Å; K341-Y345 HydrophobicContact CG-CE2 4.23Å; K341-Y345 WeakPolarHBondContact O-CD2 3.32Å; K341-Y345 PolarHBondContact O-N 3.32Å |
| 342 | T | 87.6 | Confident | 84.3 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | -176.4 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | V338 L339 Y345 Y346 | V338-T342 PolarHBondContact O-N 3.08Å; V338-T342 VanDerWaalsContact O-N 3.08Å; V338-T342 PolarHBondContact O-OG1 2.95Å; L339-T342 WeakPolarHBondContact O-CB 3.16Å; L339-T342 PolarHBondContact O-N 2.7Å; T342-Y345 PolarHBondContact O-N 3.48Å; T342-Y346 WeakPolarHBondContact O-CB 3.46Å; T342-Y346 PolarHBondContact O-N 3.06Å |
| 343 | L | 87.4 | Confident | 81.6 | Confident | 73 Ų | 73 | 68 Ų | 68 | 38% | 0.382 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.5 | -176.1 | 66.6 | 0 | 0 | 0 | 112.4 | L339 F340 K341 Y345 Y346 C347 | L339-L343 PolarHBondContact O-N 3.44Å; F340-L343 HydrophobicContact CD1-CD2 4.15Å; F340-L343 HydrophobicContact CE1-CD2 4.47Å; F340-L343 PolarHBondContact O-N 3.5Å; K341-L343 VanDerWaalsContact C-N 3.27Å; K341-L343 PolarHBondContact O-N 2.84Å; L343-Y345 PolarHBondContact O-N 2.88Å; L343-Y346 PolarHBondContact O-N 2.92Å; L343-C347 WeakPolarHBondContact O-CB 3.2Å; L343-C347 PolarHBondContact O-N 3.43Å |
| 344 | Y | 85.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -48.3 | 175.8 | 178.1 | -86.5 | 0 | 0 | 0 | 111.3 | H189 S206 V209 Y210 F340 K341 Y346 F348 H349 F398 | H189-Y344 PolarHBondContact CE1-OH 3.32Å; H189-Y344 AromaticContact NE2-CZ 3.97Å; H189-Y344 PolarHBondContact NE2-OH 2.95Å; S206-Y344 WeakPolarHBondContact OG-CE2 3.24Å; V209-Y344 HydrophobicContact CG1-CD2 4.41Å; Y210-Y344 HydrophobicContact CD2-CD2 4.12Å; Y210-Y344 HydrophobicContact CD2-CE1 4.18Å; Y210-Y344 AromaticContact CD2-CE2 3.67Å; Y210-Y344 HydrophobicContact CD2-CE2 3.67Å; Y210-Y344 AromaticContact CD2-CZ 3.72Å; Y210-Y344 HydrophobicContact CG-CE2 4.2Å; F340-Y344 WeakPolarHBondContact O-CB 3.32Å; F340-Y344 PolarHBondContact O-N 3.33Å; K341-Y344 WeakPolarHBondContact O-CB 3.42Å; K341-Y344 PolarHBondContact O-N 3.26Å; K341-Y344 VanDerWaalsContact O-N 3.14Å; Y344-Y346 VanDerWaalsContact C-N 3.31Å; Y344-Y346 PolarHBondContact O-N 3.29Å; Y344-F348 HydrophobicContact CD2-CB 4.02Å; Y344-F348 HydrophobicContact CE2-CB 4.14Å; Y344-F348 HydrophobicContact CG-CB 4.5Å; Y344-F348 CarbonylContact O-C 3.52Å; Y344-F348 WeakPolarHBondContact O-CA 3.29Å; Y344-F348 PolarHBondContact O-N 3.21Å; Y344-H349 HydrophobicContact CE1-CB 4.21Å; Y344-H349 PolarHBondContact O-N 3.09Å; Y344-F398 HydrophobicContact CE1-CE1 4.4Å; Y344-F398 HydrophobicContact CE1-CZ 4.43Å |
| 345 | Y | 81.8 | Confident | 75.4 | Confident | 63 Ų | 63 | 76.4 Ų | 76.4 | 25% | 0.247 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -32.4 | 179.8 | -82.6 | -89.1 | 0 | 0 | 0 | 113 | W213 K341 T342 L343 H349 F398 | W213-Y345 HydrophobicContact CH2-CE2 4.1Å; W213-Y345 AromaticContact CZ3-CE2 3.8Å; W213-Y345 HydrophobicContact CZ3-CE2 3.8Å; K341-Y345 HydrophobicContact CG-CD2 4.14Å; K341-Y345 HydrophobicContact CG-CE2 4.23Å; K341-Y345 WeakPolarHBondContact O-CD2 3.32Å; K341-Y345 PolarHBondContact O-N 3.32Å; T342-Y345 PolarHBondContact O-N 3.48Å; L343-Y345 PolarHBondContact O-N 2.88Å; Y345-H349 HydrophobicContact CD1-CB 4.13Å; Y345-H349 AromaticContact CD1-CD2 3.52Å; Y345-H349 AromaticContact CD1-CG 3.87Å; Y345-H349 AromaticContact CE1-CD2 3.34Å; Y345-H349 WeakPolarHBondContact CE1-CD2 3.45Å; Y345-H349 AromaticContact CE1-NE2 3.76Å; Y345-F398 WeakPolarHBondContact OH-CZ 3.28Å |
| 346 | Y | 80.5 | Confident | 72 | Confident | 202 Ų | 202 | 75.7 Ų | 75.7 | 79% | 0.792 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -77.6 | -41.2 | 178.6 | -171.8 | -102.3 | 0 | 0 | 0 | 113.4 | T342 L343 Y344 | T342-Y346 WeakPolarHBondContact O-CB 3.46Å; T342-Y346 PolarHBondContact O-N 3.06Å; L343-Y346 PolarHBondContact O-N 2.92Å; Y344-Y346 VanDerWaalsContact C-N 3.31Å; Y344-Y346 PolarHBondContact O-N 3.29Å |
| 347 | C | 80.4 | Confident | 69 | Low | 73 Ų | 73 | 78.1 Ų | 78.1 | 49% | 0.493 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -102.3 | -28.7 | -170.5 | -65.1 | 0 | 0 | 0 | 0 | 114.6 | L343 | L343-C347 WeakPolarHBondContact O-CB 3.2Å; L343-C347 PolarHBondContact O-N 3.43Å |
| 348 | F | 73.3 | Confident | 65.8 | Low | 78 Ų | 78 | 88.1 Ų | 88.1 | 34% | 0.342 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | -12.4 | -162.6 | -64.1 | -71.5 | 0 | 0 | 0 | 114.9 | V209 Y344 P350 | V209-F348 HydrophobicContact CG2-CD2 4.46Å; V209-F348 HydrophobicContact CG2-CE2 3.99Å; Y344-F348 HydrophobicContact CD2-CB 4.02Å; Y344-F348 HydrophobicContact CE2-CB 4.14Å; Y344-F348 HydrophobicContact CG-CB 4.5Å; Y344-F348 CarbonylContact O-C 3.52Å; Y344-F348 WeakPolarHBondContact O-CA 3.29Å; Y344-F348 PolarHBondContact O-N 3.21Å; F348-P350 VanDerWaalsContact O-CD 3.27Å; F348-P350 WeakPolarHBondContact O-CD 3.47Å |
| 349 | H | 72.1 | Confident | 62.8 | Low | 40 Ų | 40 | 95.2 Ų | 95.2 | 19% | 0.185 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -70 | 118.8 | -179.7 | -175.3 | -78.8 | 0 | 0 | 0 | 110.5 | Y344 Y345 F398 Y399 | Y344-H349 HydrophobicContact CE1-CB 4.21Å; Y344-H349 PolarHBondContact O-N 3.09Å; Y345-H349 HydrophobicContact CD1-CB 4.13Å; Y345-H349 AromaticContact CD1-CD2 3.52Å; Y345-H349 AromaticContact CD1-CG 3.87Å; Y345-H349 AromaticContact CE1-CD2 3.34Å; Y345-H349 WeakPolarHBondContact CE1-CD2 3.45Å; Y345-H349 AromaticContact CE1-NE2 3.76Å; H349-F398 AromaticContact CD2-CE1 3.72Å; H349-F398 PolarHBondContact CE1-O 3.22Å; H349-F398 AromaticContact NE2-CD1 3.87Å; H349-F398 AromaticContact NE2-CE1 3.81Å; H349-F398 PolarHBondContact NE2-O 3.43Å; H349-Y399 AromaticContact CE1-CD1 3.99Å; H349-Y399 AromaticContact NE2-CD1 3.85Å |
| 350 | P | 67.2 | Low | 59.9 | Low | 2 Ų | 2 | 94.3 Ų | 94.3 | 1% | 0.013 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 125.1 | 176.7 | 31.4 | -27.6 | 0 | 0 | 0 | 110.6 | L196 K199 F348 Y399 | L196-P350 HydrophobicContact CD1-CB 4.45Å; L196-P350 HydrophobicContact CD1-CG 3.96Å; K199-P350 HydrophobicContact CB-CB 4.34Å; K199-P350 HydrophobicContact CD-CB 3.43Å; K199-P350 VanDerWaalsContact CD-CB 3.43Å; K199-P350 HydrophobicContact CG-CB 4.47Å; F348-P350 VanDerWaalsContact O-CD 3.27Å; F348-P350 WeakPolarHBondContact O-CD 3.47Å; P350-Y399 VanDerWaalsContact CD-CE1 3.49Å; P350-Y399 HydrophobicContact CG-CD1 3.64Å; P350-Y399 HydrophobicContact CG-CE1 3.36Å; P350-Y399 WeakPolarHBondContact O-CD1 3.17Å |
| 351 | T | 60.4 | Low | 57.2 | Low | 50 Ų | 50 | 95 Ų | 95 | 31% | 0.307 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -74 | 134.3 | 170.5 | 52 | 0 | 0 | 0 | 0 | 110.8 | W353 E401 | T351-W353 PolarHBondContact O-N 2.97Å; T351-E401 HydrophobicContact CG2-CG 3.92Å |
| 352 | L | 51.6 | Low | 54.2 | Low | 53 Ų | 53 | 101.9 Ų | 101.9 | 28% | 0.277 | 54% | 0.535 | S | S | . | . | trans | -64.8 | 100.6 | 161.3 | -93.2 | 155.3 | 0 | 0 | 0 | 107.8 | L196 M354 T396 Y399 | L196-L352 HydrophobicContact CD2-CD2 3.67Å; L196-L352 HydrophobicContact CD2-CG 3.7Å; L352-M354 PolarHBondContact O-N 3.34Å; L352-M354 VanDerWaalsContact O-N 3.15Å; L352-T396 HydrophobicContact CD1-CG2 4.37Å; L352-Y399 PolarHBondContact N-O 3.48Å | ||
| 353 | W | 38.2 | Very low | 51.4 | Low | 219 Ų | 219 | 107.5 Ų | 107.5 | 83% | 0.83 | 56% | 0.556 | S | S | * | * | trans | -77.7 | 96 | 163.6 | -126.2 | 57.8 | 0 | 0 | 0 | 106.5 | T351 P355 | T351-W353 PolarHBondContact O-N 2.97Å; W353-P355 WeakPolarHBondContact O-CD 3.47Å | ||
| 354 | M | 35.2 | Very low | 48.7 | Very low | 157 Ų | 157 | 112 Ų | 112 | 77% | 0.773 | 58% | 0.575 | S | S | * | * | trans | -73 | 118.8 | 161.4 | -148.1 | 173.6 | -74.2 | 0 | 0 | 104.9 | L352 S356 | L352-M354 PolarHBondContact O-N 3.34Å; L352-M354 VanDerWaalsContact O-N 3.15Å; M354-S356 PolarHBondContact O-N 3.43Å | ||
| 355 | P | 26.5 | Very low | 46.2 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | trans | -58.9 | 113.1 | 170.5 | -14 | 27.2 | 0 | 0 | 0 | 105.5 | W353 V357 | W353-P355 WeakPolarHBondContact O-CD 3.47Å; P355-V357 PolarHBondContact O-N 2.88Å | ||
| 356 | S | 25.3 | Very low | 43.8 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | trans | -53.8 | 118.5 | 157.7 | 44.5 | 0 | 0 | 0 | 0 | 104.4 | M354 R358 | M354-S356 PolarHBondContact O-N 3.43Å; S356-R358 PolarHBondContact O-N 2.89Å | ||
| 357 | V | 32.1 | Very low | 41.3 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 85% | 0.848 | 65% | 0.648 | S | S | * | * | trans | -64.7 | 81.7 | 158.1 | 178.2 | 0 | 0 | 0 | 0 | 103.9 | P355 E359 | P355-V357 PolarHBondContact O-N 2.88Å; V357-E359 PolarHBondContact O-N 3.05Å | ||
| 358 | R | 27.6 | Very low | 38.9 | Very low | 209 Ų | 209 | 127.4 Ų | 127.4 | 79% | 0.789 | 67% | 0.67 | S | S | * | * | trans | -63.9 | 107.5 | 168.7 | -177.4 | 174.6 | 160.9 | -178 | -5.7 | 103.4 | S356 A360 | S356-R358 PolarHBondContact O-N 2.89Å; R358-A360 VanDerWaalsContact C-N 3.27Å; R358-A360 PolarHBondContact O-N 3.48Å | ||
| 359 | E | 30.1 | Very low | 37.2 | Very low | 192 Ų | 192 | 127.1 Ų | 127.1 | 90% | 0.897 | 69% | 0.689 | S | S | * | * | trans | -42.1 | 96.7 | 164.8 | -68.5 | 176.4 | 158.1 | 0 | 0 | 108.4 | V357 | V357-E359 PolarHBondContact O-N 3.05Š| ||
| 360 | A | 32.3 | Very low | 35 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | trans | -152.7 | 83.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 106 | R358 | R358-A360 VanDerWaalsContact C-N 3.27Å; R358-A360 PolarHBondContact O-N 3.48Å | ||
| 361 | G | 35.4 | Very low | 33 | Very low | 70 Ų | 70 | 143.2 Ų | 143.2 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 112 | 81.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 362 | L | 26.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 177.3 | 73.8 | 137.9 | -95.2 | 150.1 | 0 | 0 | 0 | 107.7 | E364 | L362-E364 HydrophobicContact CD2-CB 4.32Å; L362-E364 PolarHBondContact O-N 2.92Å | ||
| 363 | E | 29.6 | Very low | 29.9 | Very low | 202 Ų | 202 | 154 Ų | 154 | 94% | 0.944 | 82% | 0.821 | S | S | * | * | trans | -73.1 | 91.5 | 145.7 | -75.9 | -171.3 | 166.5 | 0 | 0 | 105.9 | ||||
| 364 | E | 31.4 | Very low | 29.2 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -134.4 | 112.9 | 153.3 | -104.5 | -174.3 | 169.3 | 0 | 0 | 107.1 | L362 L366 | L362-E364 HydrophobicContact CD2-CB 4.32Å; L362-E364 PolarHBondContact O-N 2.92Å; E364-L366 PolarHBondContact O-N 3.27Å | ||
| 365 | E | 33.5 | Very low | 28.7 | Very low | 196 Ų | 196 | 157 Ų | 157 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -54.2 | 125.5 | 178.8 | -65.2 | 172.7 | 120.8 | 0 | 0 | 111.9 | ||||
| 366 | L | 29.9 | Very low | 28.6 | Very low | 171 Ų | 171 | 156.8 Ų | 156.8 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -146.8 | 149.1 | 155.5 | -86.9 | 173.4 | 0 | 0 | 0 | 110.6 | E364 | E364-L366 PolarHBondContact O-N 3.27Š| ||
| 367 | P | 28.3 | Very low | 28.7 | Very low | 119 Ų | 119 | 160 Ų | 160 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | -89.7 | 163.9 | -147 | 36.3 | -37.9 | 0 | 0 | 0 | 115.2 | ||||
| 368 | D | 31 | Very low | 28.2 | Very low | 176 Ų | 176 | 157.1 Ų | 157.1 | 94% | 0.941 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -37.9 | 133.8 | -179.5 | -83.2 | -35.9 | 0 | 0 | 0 | 116.3 | ||
| 369 | G | 36.8 | Very low | 28.3 | Very low | 72 Ų | 72 | 152.8 Ų | 152.8 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | 118.9 | 61.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 370 | Q | 26 | Very low | 28.1 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | -155.5 | 123.2 | 155.5 | -124.7 | 164.9 | -17 | 0 | 0 | 111.2 | ||||
| 371 | E | 26 | Very low | 28 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -53.7 | 140.9 | 175 | -75.9 | 175.8 | 137.1 | 0 | 0 | 111.6 | V373 | E371-V373 PolarHBondContact O-N 3.47Š| ||
| 372 | M | 23.3 | Very low | 27.9 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 97% | 0.966 | 84% | 0.835 | S | S | * | * | trans | -63.2 | 94.9 | 179.4 | -67.5 | -174.8 | -161.1 | 0 | 0 | 111.3 | ||||
| 373 | V | 23.6 | Very low | 28.1 | Very low | 133 Ų | 133 | 154 Ų | 154 | 81% | 0.806 | 83% | 0.833 | S | S | * | * | trans | -75.3 | 121.5 | 161.6 | 176.7 | 0 | 0 | 0 | 0 | 108 | E371 R375 | E371-V373 PolarHBondContact O-N 3.47Å; V373-R375 PolarHBondContact O-N 2.91Å | ||
| 374 | F | 23.3 | Very low | 28.5 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -44.5 | 111.6 | 173.5 | -164.1 | -97.2 | 0 | 0 | 0 | 110.3 | S376 | F374-S376 VanDerWaalsContact C-N 3.33Å; F374-S376 PolarHBondContact O-N 3.06Å | ||
| 375 | R | 23.4 | Very low | 29.4 | Very low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -70.9 | 89.9 | -175.4 | -148.3 | 177.8 | -167.9 | 173.4 | 4.3 | 109 | V373 I377 | V373-R375 PolarHBondContact O-N 2.91Å; R375-I377 PolarHBondContact O-N 3.11Å | ||
| 376 | S | 24.6 | Very low | 30.7 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | -50.9 | 130.9 | 164 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | F374 A378 | F374-S376 VanDerWaalsContact C-N 3.33Å; F374-S376 PolarHBondContact O-N 3.06Å; S376-A378 PolarHBondContact O-N 3.4Å | ||
| 377 | I | 27.2 | Very low | 32.2 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -50.6 | 115.1 | 166.6 | -64.6 | 168.1 | 0 | 0 | 0 | 107.5 | R375 | R375-I377 PolarHBondContact O-N 3.11Š| ||
| 378 | A | 22.5 | Very low | 34.1 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 134.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.1 | S376 Q380 | S376-A378 PolarHBondContact O-N 3.4Å; A378-Q380 PolarHBondContact O-N 3.43Å |
| 379 | P | 29 | Very low | 36.2 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.9 | -179.5 | 24.8 | -24.6 | 0 | 0 | 0 | 109.8 | T381 | P379-T381 PolarHBondContact O-N 3.26Š|
| 380 | Q | 26.4 | Very low | 38.1 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 127.7 | 156.5 | -67.1 | -160 | 32 | 0 | 0 | 107.5 | A378 G382 | A378-Q380 PolarHBondContact O-N 3.43Å; Q380-G382 PolarHBondContact O-N 3.03Å |
| 381 | T | 29.9 | Very low | 40.1 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 92% | 0.92 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -54.8 | 127.9 | -177.7 | 33.5 | 0 | 0 | 0 | 0 | 111.5 | P379 | P379-T381 PolarHBondContact O-N 3.26Š|
| 382 | G | 33.1 | Very low | 41.9 | Very low | 67 Ų | 67 | 112.5 Ų | 112.5 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 108.2 | 56.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q380 | Q380-G382 PolarHBondContact O-N 3.03Š|
| 383 | T | 32.2 | Very low | 44 | Very low | 122 Ų | 122 | 104.4 Ų | 104.4 | 75% | 0.748 | 56% | 0.56 | S | S | * | * | trans | 165.2 | 135.5 | 140.2 | 31.7 | 0 | 0 | 0 | 0 | 108 | R385 | T383-R385 PolarHBondContact O-N 3.17Š| ||
| 384 | P | 37.4 | Very low | 46.2 | Very low | 85 Ų | 85 | 98.2 Ų | 98.2 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | trans | -62.9 | 107 | 171.5 | 24 | -29.4 | 0 | 0 | 0 | 108.3 | F386 | P384-F386 HydrophobicContact CB-CE1 4.38Å; P384-F386 HydrophobicContact CB-CZ 4.29Å; P384-F386 HydrophobicContact CG-CE2 4.37Å; P384-F386 HydrophobicContact CG-CZ 4.19Å; P384-F386 PolarHBondContact O-N 2.9Å | ||
| 385 | R | 50.9 | Low | 48.2 | Very low | 200 Ų | 200 | 89.2 Ų | 89.2 | 76% | 0.755 | 48% | 0.483 | S | S | * | . | trans | -81.5 | 89.3 | 178.3 | -156.4 | 175.7 | -174.5 | -178.5 | -0.1 | 107.3 | T383 H387 | T383-R385 PolarHBondContact O-N 3.17Å; R385-H387 PolarHBondContact O-N 3.45Å | ||
| 386 | F | 58.9 | Low | 50.3 | Low | 28 Ų | 28 | 79.7 Ų | 79.7 | 12% | 0.123 | 45% | 0.452 | C | S | . | . | trans | -57.7 | 109.9 | 174.6 | -62.7 | -60.3 | 0 | 0 | 0 | 110 | F78 Q81 Y129 Y132 P384 | F78-F386 HydrophobicContact CB-CE1 4.09Å; F78-F386 HydrophobicContact CD2-CB 4.5Å; F78-F386 AromaticContact CD2-CD1 3.11Å; F78-F386 HydrophobicContact CD2-CD1 3.11Å; F78-F386 HydrophobicContact CD2-CD2 4.43Å; F78-F386 AromaticContact CD2-CE1 3.17Å; F78-F386 HydrophobicContact CD2-CE1 3.17Å; F78-F386 HydrophobicContact CD2-CE2 4.48Å; F78-F386 AromaticContact CD2-CG 3.78Å; F78-F386 HydrophobicContact CD2-CG 3.78Å; F78-F386 AromaticContact CD2-CZ 3.9Å; F78-F386 HydrophobicContact CD2-CZ 3.9Å; F78-F386 HydrophobicContact CE2-CB 3.84Å; F78-F386 AromaticContact CE2-CD1 3.32Å; F78-F386 HydrophobicContact CE2-CD1 3.32Å; F78-F386 HydrophobicContact CE2-CD2 4.15Å; F78-F386 AromaticContact CE2-CE1 3.83Å; F78-F386 HydrophobicContact CE2-CE1 3.83Å; F78-F386 AromaticContact CE2-CG 3.49Å; F78-F386 HydrophobicContact CE2-CG 3.49Å; F78-F386 VanDerWaalsContact CE2-CG 3.49Å; F78-F386 HydrophobicContact CE2-CZ 4.42Å; F78-F386 HydrophobicContact CG-CD1 4.28Å; F78-F386 AromaticContact CG-CE1 3.97Å; F78-F386 HydrophobicContact CG-CE1 3.97Å; F78-F386 HydrophobicContact CG-CZ 4.45Å; Q81-F386 HydrophobicContact CB-CE2 4.48Å; Q81-F386 HydrophobicContact CB-CZ 4.39Å; Q81-F386 HydrophobicContact CG-CE2 4.06Å; Q81-F386 HydrophobicContact CG-CZ 4.46Å; Y129-F386 HydrophobicContact CD2-CD2 4.27Å; Y129-F386 HydrophobicContact CD2-CE2 4.28Å; Y132-F386 HydrophobicContact CD2-CB 4.18Å; P384-F386 HydrophobicContact CB-CE1 4.38Å; P384-F386 HydrophobicContact CB-CZ 4.29Å; P384-F386 HydrophobicContact CG-CE2 4.37Å; P384-F386 HydrophobicContact CG-CZ 4.19Å; P384-F386 PolarHBondContact O-N 2.9Å | ||
| 387 | H | 61.8 | Low | 52.6 | Low | 129 Ų | 129 | 76 Ų | 76 | 60% | 0.597 | 43% | 0.425 | S | S | * | . | trans | -102.7 | 121.6 | 178.8 | -165.5 | 66.1 | 0 | 0 | 0 | 109.3 | F195 R385 K389 | F195-H387 AromaticContact CD1-CE1 3.94Å; R385-H387 PolarHBondContact O-N 3.45Å; H387-K389 PolarHBondContact O-N 3.23Å | ||
| 388 | N | 69.3 | Low | 54.6 | Low | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | trans | -78.3 | 91.5 | 179.9 | -169.8 | -37.4 | 0 | 0 | 0 | 109.8 | Y132 D136 F195 R390 M391 A392 | Y132-N388 HydrophobicContact CD2-CB 3.58Å; Y132-N388 HydrophobicContact CE2-CB 3.63Å; Y132-N388 HydrophobicContact CG-CB 4.37Å; D136-N388 PolarHBondContact OD1-ND2 2.85Å; F195-N388 HydrophobicContact CE1-CB 4.41Å; F195-N388 HydrophobicContact CZ-CB 4.08Å; N388-R390 PolarHBondContact O-N 3.27Å; N388-R390 WeakPolarHBondContact OD1-CB 3.15Å; N388-R390 PolarHBondContact OD1-N 2.81Å; N388-M391 HydrophobicContact CB-CB 4.44Å; N388-M391 PolarHBondContact O-N 3.47Å; N388-M391 PolarHBondContact OD1-N 3.35Å; N388-A392 VanDerWaalsContact O-CB 3.3Å; N388-A392 WeakPolarHBondContact O-CB 3.49Å; N388-A392 PolarHBondContact O-N 2.86Å | ||
| 389 | K | 75.6 | Confident | 56.7 | Low | 132 Ų | 132 | 65.1 Ų | 65.1 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -51.6 | -40.5 | 179.4 | -176.1 | -171.1 | 171.3 | -160.9 | 0 | 112 | H387 A392 S393 | H387-K389 PolarHBondContact O-N 3.23Å; K389-A392 PolarHBondContact O-N 2.92Å; K389-S393 WeakPolarHBondContact O-CB 3.35Å; K389-S393 PolarHBondContact O-N 2.94Å |
| 390 | R | 75.4 | Confident | 58.2 | Low | 16 Ų | 16 | 61.7 Ų | 61.7 | 6% | 0.06 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -52.4 | -176.5 | -58.8 | -177.7 | -72.4 | -106.7 | 6.5 | 111.7 | D72 Y132 D136 F258 N388 S393 H394 | D72-R390 IonicContact OD1-CZ 3.04Å; D72-R390 IonicContact OD1-NH1 2.99Å; D72-R390 PolarHBondContact OD1-NH1 2.89Å; D72-R390 IonicContact OD1-NH2 2.99Å; D72-R390 PolarHBondContact OD1-NH2 3.39Å; D72-R390 IonicContact OD2-NH2 2.91Å; D72-R390 PolarHBondContact OD2-NH2 3.23Å; Y132-R390 PolarHBondContact OH-NH2 3.22Å; D136-R390 IonicContact OD1-CZ 3.3Å; D136-R390 IonicContact OD1-NE 3.34Å; D136-R390 IonicContact OD1-NH2 3.46Å; D136-R390 PolarHBondContact OD1-NH2 3.27Å; D136-R390 IonicContact OD2-NH2 2.74Å; D136-R390 PolarHBondContact OD2-NH2 3.29Å; F258-R390 HydrophobicContact CD2-CB 4.19Å; F258-R390 HydrophobicContact CE2-CB 3.61Å; F258-R390 HydrophobicContact CE2-CG 4.47Å; F258-R390 HydrophobicContact CZ-CB 3.88Å; N388-R390 PolarHBondContact O-N 3.27Å; N388-R390 WeakPolarHBondContact OD1-CB 3.15Å; N388-R390 PolarHBondContact OD1-N 2.81Å; R390-S393 PolarHBondContact O-N 2.92Å; R390-H394 PolarHBondContact O-N 2.91Å |
| 391 | M | 68 | Low | 59.4 | Low | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.2 | -31 | 177.2 | -74.9 | -148.1 | 58.4 | 0 | 0 | 113.2 | H135 Y188 L192 F195 N388 S393 H394 A395 | H135-M391 WeakPolarHBondContact CA-SD 3.44Å; H135-M391 HydrophobicContact CB-CE 4.46Å; H135-M391 HydrophobicContact CB-CG 4.21Å; H135-M391 HydrophobicContact CB-SD 3.25Å; H135-M391 WeakPolarHBondContact CB-SD 3.5Å; Y188-M391 HydrophobicContact CD2-CE 4.35Å; Y188-M391 HydrophobicContact CE2-CE 3.96Å; L192-M391 HydrophobicContact CB-CE 4.38Å; L192-M391 HydrophobicContact CD1-CE 3.98Å; L192-M391 WeakPolarHBondContact CD1-O 3.45Å; F195-M391 HydrophobicContact CD2-CB 4.46Å; F195-M391 HydrophobicContact CE1-CB 4.46Å; F195-M391 HydrophobicContact CE2-CB 3.48Å; F195-M391 VanDerWaalsContact CE2-CB 3.48Å; F195-M391 HydrophobicContact CE2-CE 4.26Å; F195-M391 HydrophobicContact CZ-CB 3.48Å; F195-M391 VanDerWaalsContact CZ-CB 3.48Å; N388-M391 HydrophobicContact CB-CB 4.44Å; N388-M391 PolarHBondContact O-N 3.47Å; N388-M391 PolarHBondContact OD1-N 3.35Å; M391-S393 VanDerWaalsContact C-N 3.34Å; M391-H394 PolarHBondContact O-N 2.87Å; M391-A395 WeakPolarHBondContact O-CB 3.44Å; M391-A395 PolarHBondContact O-N 3.38Å |
| 392 | A | 63.1 | Low | 60 | Low | 16 Ų | 16 | 59.1 Ų | 59.1 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F195 N388 K389 A395 T396 | F195-A392 HydrophobicContact CD1-CB 3.94Å; F195-A392 HydrophobicContact CE1-CB 4.01Å; N388-A392 VanDerWaalsContact O-CB 3.3Å; N388-A392 WeakPolarHBondContact O-CB 3.49Å; N388-A392 PolarHBondContact O-N 2.86Å; K389-A392 PolarHBondContact O-N 2.92Å; A392-A395 WeakPolarHBondContact O-CB 3.08Å; A392-A395 PolarHBondContact O-N 3.43Å; A392-A395 VanDerWaalsContact O-N 3.13Å; A392-T396 WeakPolarHBondContact O-CG2 3.32Å; A392-T396 PolarHBondContact O-N 3.17Å; A392-T396 PolarHBondContact O-OG1 3.36Å |
| 393 | S | 68.9 | Low | 60 | Low | 26 Ų | 26 | 65.8 Ų | 65.8 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57 | -51.1 | 174.3 | 162.6 | 0 | 0 | 0 | 0 | 111.4 | K389 R390 M391 A395 T396 H397 | K389-S393 WeakPolarHBondContact O-CB 3.35Å; K389-S393 PolarHBondContact O-N 2.94Å; R390-S393 PolarHBondContact O-N 2.92Å; M391-S393 VanDerWaalsContact C-N 3.34Å; S393-A395 VanDerWaalsContact C-N 3.25Å; S393-A395 PolarHBondContact O-N 3.21Å; S393-T396 VanDerWaalsContact C-OG1 3.31Å; S393-T396 WeakPolarHBondContact CA-OG1 3.11Å; S393-T396 PolarHBondContact O-N 3.48Å; S393-T396 VanDerWaalsContact O-N 3.13Å; S393-T396 PolarHBondContact O-OG1 2.62Å; S393-H397 PolarHBondContact O-CD2 3.37Å; S393-H397 PolarHBondContact O-N 2.72Å; S393-H397 PolarHBondContact O-NE2 3.26Å; S393-H397 PolarHBondContact OG-CE1 3.09Å; S393-H397 PolarHBondContact OG-NE2 3.49Å |
| 394 | H | 70 | Confident | 60.3 | Low | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.014 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.4 | -35 | 176.1 | -75.8 | -168.7 | 0 | 0 | 0 | 113.4 | Y188 L192 F258 Y268 F281 R390 M391 H397 F398 | Y188-H394 WeakPolarHBondContact OH-CB 3.3Å; Y188-H394 PolarHBondContact OH-ND1 3.34Å; L192-H394 HydrophobicContact CD1-CB 3.58Å; F258-H394 AromaticContact CD2-CD2 3.84Å; F258-H394 AromaticContact CD2-CE1 3.74Å; F258-H394 AromaticContact CD2-NE2 3.25Å; F258-H394 WeakPolarHBondContact CD2-NE2 3.5Å; F258-H394 AromaticContact CE2-CE1 3.53Å; F258-H394 AromaticContact CE2-NE2 3.53Å; Y268-H394 AromaticContact CZ-CE1 3.87Å; Y268-H394 AromaticContact CZ-NE2 3.64Å; Y268-H394 PolarHBondContact OH-CE1 3.44Å; Y268-H394 PolarHBondContact OH-NE2 2.92Å; F281-H394 AromaticContact CE1-CE1 3.71Å; F281-H394 AromaticContact CZ-CE1 3.7Å; F281-H394 AromaticContact CZ-ND1 3.64Å; R390-H394 PolarHBondContact O-N 2.91Å; M391-H394 PolarHBondContact O-N 2.87Å; H394-H397 PolarHBondContact O-N 3.42Å; H394-F398 WeakPolarHBondContact O-CB 3.31Å; H394-F398 PolarHBondContact O-N 2.98Å |
| 395 | A | 65.3 | Low | 59.9 | Low | 4 Ų | 4 | 70.7 Ų | 70.7 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | L192 F195 M391 A392 S393 H397 F398 Y399 | L192-A395 HydrophobicContact CD1-CB 3.78Å; L192-A395 VanDerWaalsContact CD1-N 3.29Å; L192-A395 HydrophobicContact CG-CB 3.85Å; F195-A395 HydrophobicContact CB-CB 3.86Å; F195-A395 HydrophobicContact CD2-CB 4.39Å; F195-A395 HydrophobicContact CG-CB 4.27Å; M391-A395 WeakPolarHBondContact O-CB 3.44Å; M391-A395 PolarHBondContact O-N 3.38Å; A392-A395 WeakPolarHBondContact O-CB 3.08Å; A392-A395 PolarHBondContact O-N 3.43Å; A392-A395 VanDerWaalsContact O-N 3.13Å; S393-A395 VanDerWaalsContact C-N 3.25Å; S393-A395 PolarHBondContact O-N 3.21Å; A395-H397 PolarHBondContact O-N 3.37Å; A395-F398 PolarHBondContact O-N 3.41Å; A395-Y399 HydrophobicContact CB-CD2 4.47Å; A395-Y399 WeakPolarHBondContact O-CB 3.2Å; A395-Y399 WeakPolarHBondContact O-CD2 3.46Å; A395-Y399 PolarHBondContact O-N 3.34Å |
| 396 | T | 67.6 | Low | 58.9 | Low | 45 Ų | 45 | 70.9 Ų | 70.9 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.7 | -46 | 173.3 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | L352 A392 S393 F398 Y399 S400 | L352-T396 HydrophobicContact CD1-CG2 4.37Å; A392-T396 WeakPolarHBondContact O-CG2 3.32Å; A392-T396 PolarHBondContact O-N 3.17Å; A392-T396 PolarHBondContact O-OG1 3.36Å; S393-T396 VanDerWaalsContact C-OG1 3.31Å; S393-T396 WeakPolarHBondContact CA-OG1 3.11Å; S393-T396 PolarHBondContact O-N 3.48Å; S393-T396 VanDerWaalsContact O-N 3.13Å; S393-T396 PolarHBondContact O-OG1 2.62Å; T396-F398 VanDerWaalsContact C-N 3.3Å; T396-F398 PolarHBondContact O-N 2.9Å; T396-Y399 PolarHBondContact O-N 2.85Å; T396-S400 WeakPolarHBondContact O-CB 3.4Å; T396-S400 PolarHBondContact O-N 3.11Å; T396-S400 PolarHBondContact O-OG 3.37Å |
| 397 | H | 71.4 | Confident | 57.7 | Low | 16 Ų | 16 | 75.1 Ų | 75.1 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | -179.5 | -59.7 | -178.4 | 0 | 0 | 0 | 112.2 | N282 V283 A284 E285 S393 H394 A395 | N282-H397 VanDerWaalsContact ND2-C 3.31Å; N282-H397 PolarHBondContact ND2-O 2.93Å; V283-H397 VanDerWaalsContact C-ND1 3.25Å; V283-H397 PolarHBondContact O-CE1 2.86Å; V283-H397 PolarHBondContact O-ND1 3.01Å; A284-H397 WeakPolarHBondContact CA-ND1 3.43Å; A284-H397 PolarHBondContact N-ND1 3.2Å; E285-H397 WeakPolarHBondContact CG-CD2 3.38Å; E285-H397 WeakPolarHBondContact CG-NE2 3.15Å; E285-H397 IonicContact OE1-CD2 3.89Å; E285-H397 IonicContact OE1-NE2 2.9Å; S393-H397 PolarHBondContact O-CD2 3.37Å; S393-H397 PolarHBondContact O-N 2.72Å; S393-H397 PolarHBondContact O-NE2 3.26Å; S393-H397 PolarHBondContact OG-CE1 3.09Å; S393-H397 PolarHBondContact OG-NE2 3.49Å; H394-H397 PolarHBondContact O-N 3.42Å; A395-H397 PolarHBondContact O-N 3.37Å |
| 398 | F | 69.1 | Low | 56.2 | Low | 15 Ų | 15 | 73.6 Ų | 73.6 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -79.2 | -31.9 | -177.4 | -165.3 | -83.7 | 0 | 0 | 0 | 113.1 | H189 L192 Y210 N282 Y344 Y345 H349 H394 A395 T396 | H189-F398 AromaticContact CE1-CE1 3.47Å; H189-F398 VanDerWaalsContact CE1-CE1 3.47Å; H189-F398 WeakPolarHBondContact CE1-CE1 3.45Å; H189-F398 AromaticContact CE1-CZ 3.79Å; L192-F398 HydrophobicContact CD2-CB 3.88Å; L192-F398 HydrophobicContact CD2-CG 4.22Å; Y210-F398 HydrophobicContact CE2-CZ 4.11Å; N282-F398 HydrophobicContact CB-CD2 4.08Å; Y344-F398 HydrophobicContact CE1-CE1 4.4Å; Y344-F398 HydrophobicContact CE1-CZ 4.43Å; Y345-F398 WeakPolarHBondContact OH-CZ 3.28Å; H349-F398 AromaticContact CD2-CE1 3.72Å; H349-F398 PolarHBondContact CE1-O 3.22Å; H349-F398 AromaticContact NE2-CD1 3.87Å; H349-F398 AromaticContact NE2-CE1 3.81Å; H349-F398 PolarHBondContact NE2-O 3.43Å; H394-F398 WeakPolarHBondContact O-CB 3.31Å; H394-F398 PolarHBondContact O-N 2.98Å; A395-F398 PolarHBondContact O-N 3.41Å; T396-F398 VanDerWaalsContact C-N 3.3Å; T396-F398 PolarHBondContact O-N 2.9Å |
| 399 | Y | 67.6 | Low | 54.5 | Low | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -113.2 | -6.5 | -171 | -60.6 | -62.7 | 0 | 0 | 0 | 115.6 | H189 L192 R193 L196 H349 P350 L352 A395 T396 E401 | H189-Y399 AromaticContact CE1-CZ 3.87Å; H189-Y399 PolarHBondContact CE1-OH 2.9Å; H189-Y399 PolarHBondContact NE2-OH 3.27Å; L192-Y399 HydrophobicContact CD2-CE2 4.49Å; L192-Y399 HydrophobicContact CG-CE2 4.44Å; R193-Y399 WeakPolarHBondContact CB-OH 3.41Å; L196-Y399 HydrophobicContact CD1-CD1 4.18Å; L196-Y399 HydrophobicContact CD1-CD2 3.58Å; L196-Y399 HydrophobicContact CD1-CE1 4.1Å; L196-Y399 HydrophobicContact CD1-CE2 3.47Å; L196-Y399 VanDerWaalsContact CD1-CE2 3.47Å; L196-Y399 HydrophobicContact CD1-CG 3.93Å; L196-Y399 HydrophobicContact CD2-CD2 4.49Å; L196-Y399 HydrophobicContact CG-CD2 4.15Å; L196-Y399 HydrophobicContact CG-CE2 4.33Å; H349-Y399 AromaticContact CE1-CD1 3.99Å; H349-Y399 AromaticContact NE2-CD1 3.85Å; P350-Y399 VanDerWaalsContact CD-CE1 3.49Å; P350-Y399 HydrophobicContact CG-CD1 3.64Å; P350-Y399 HydrophobicContact CG-CE1 3.36Å; P350-Y399 WeakPolarHBondContact O-CD1 3.17Å; L352-Y399 PolarHBondContact N-O 3.48Å; A395-Y399 HydrophobicContact CB-CD2 4.47Å; A395-Y399 WeakPolarHBondContact O-CB 3.2Å; A395-Y399 WeakPolarHBondContact O-CD2 3.46Å; A395-Y399 PolarHBondContact O-N 3.34Å; T396-Y399 PolarHBondContact O-N 2.85Å; Y399-E401 PolarHBondContact O-N 3.46Å |
| 400 | S | 60 | Low | 52.5 | Low | 47 Ų | 47 | 83.5 Ų | 83.5 | 33% | 0.329 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 125.9 | 174.4 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | T396 | T396-S400 WeakPolarHBondContact O-CB 3.4Å; T396-S400 PolarHBondContact O-N 3.11Å; T396-S400 PolarHBondContact O-OG 3.37Å |
| 401 | E | 51.6 | Low | 50.4 | Low | 148 Ų | 148 | 89.5 Ų | 89.5 | 69% | 0.692 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 145.7 | 167.6 | -107.1 | -163.6 | 170.6 | 0 | 0 | 111.6 | T351 Y399 E403 | T351-E401 HydrophobicContact CG2-CG 3.92Å; Y399-E401 PolarHBondContact O-N 3.46Å; E401-E403 PolarHBondContact O-N 3.33Å |
| 402 | E | 43.5 | Very low | 48.7 | Very low | 137 Ų | 137 | 93 Ų | 93 | 64% | 0.64 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 117.7 | 171.6 | -162.4 | 170.6 | -164.2 | 0 | 0 | 108.5 | A404 | E402-A404 HydrophobicContact CG-CB 4.13Å; E402-A404 PolarHBondContact O-N 3.18Å |
| 403 | E | 33.3 | Very low | 47.2 | Very low | 207 Ų | 207 | 104 Ų | 104 | 97% | 0.967 | 53% | 0.533 | S | S | * | . | trans | -63.9 | 77.2 | 164.9 | -91.9 | -169 | 148.6 | 0 | 0 | 109.4 | E401 | E401-E403 PolarHBondContact O-N 3.33Š| ||
| 404 | A | 36.9 | Very low | 45.4 | Very low | 73 Ų | 73 | 112 Ų | 112 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | trans | -124.6 | 56.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E402 | E402-A404 HydrophobicContact CG-CB 4.13Å; E402-A404 PolarHBondContact O-N 3.18Å | ||
| 405 | R | 29.8 | Very low | 43.7 | Very low | 238 Ų | 238 | 115.6 Ų | 115.6 | 90% | 0.898 | 60% | 0.598 | S | S | * | * | trans | -152.3 | 80.1 | 153.9 | -108.6 | 179.7 | -173.1 | -166.4 | 1.7 | 110 | ||||
| 406 | K | 29.6 | Very low | 41.9 | Very low | 204 Ų | 204 | 122.7 Ų | 122.7 | 89% | 0.887 | 64% | 0.635 | S | S | * | * | trans | -58.5 | 127.6 | 153.8 | -84 | -178 | 176.7 | 177.1 | 0 | 107.4 | S408 | K406-S408 PolarHBondContact O-N 3.22Š| ||
| 407 | P | 34.5 | Very low | 40.1 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | trans | -65.6 | 130.1 | 168.1 | 26.3 | -28.8 | 0 | 0 | 0 | 107.6 | K409 | P407-K409 PolarHBondContact O-N 2.87Š| ||
| 408 | S | 30.5 | Very low | 38.1 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | trans | -56.6 | 114.5 | 163.6 | 52.4 | 0 | 0 | 0 | 0 | 107 | K406 I410 | K406-S408 PolarHBondContact O-N 3.22Å; S408-I410 PolarHBondContact O-N 2.99Å | ||
| 409 | K | 33.2 | Very low | 36.4 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -62.6 | 91.2 | 159 | -77.2 | -175 | 175.6 | -177.1 | 0 | 106 | P407 N411 | P407-K409 PolarHBondContact O-N 2.87Å; K409-N411 PolarHBondContact O-N 2.89Å | ||
| 410 | I | 33.4 | Very low | 34.9 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -67.7 | 97.3 | 157.7 | -64 | 176.6 | 0 | 0 | 0 | 103.9 | S408 G412 | S408-I410 PolarHBondContact O-N 2.99Å; I410-G412 PolarHBondContact O-N 3.3Å | ||
| 411 | N | 31.6 | Very low | 33.5 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | -56.5 | 108.6 | 166.1 | -89.8 | -10.7 | 0 | 0 | 0 | 107.3 | K409 R413 | K409-N411 PolarHBondContact O-N 2.89Å; N411-R413 PolarHBondContact O-N 2.81Å; N411-R413 VanDerWaalsContact O-N 3.08Å | ||
| 412 | G | 31.1 | Very low | 32.5 | Very low | 77 Ų | 77 | 152.3 Ų | 152.3 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -58.4 | 108.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | I410 | I410-G412 PolarHBondContact O-N 3.3Š| ||
| 413 | R | 32.4 | Very low | 31.9 | Very low | 247 Ų | 247 | 153.2 Ų | 153.2 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -97.9 | 92.8 | 168.9 | -159.9 | 179.8 | -166.2 | -176.9 | 3.8 | 105.6 | N411 | N411-R413 PolarHBondContact O-N 2.81Å; N411-R413 VanDerWaalsContact O-N 3.08Å | ||
| 414 | E | 31.7 | Very low | 31.8 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -97.5 | 143.2 | 160.9 | -87.3 | -169.6 | 158.8 | 0 | 0 | 110.4 | ||||
| 415 | A | 33.2 | Very low | 31.5 | Very low | 80 Ų | 80 | 154.9 Ų | 154.9 | 66% | 0.661 | 83% | 0.834 | S | S | * | * | trans | -63.5 | 154.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 416 | N | 28.4 | Very low | 31.6 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | 159.1 | 112.1 | 118.6 | -80.2 | -28.5 | 0 | 0 | 0 | 108.6 | |||||
| 417 | A | 29.1 | Very low | 31.7 | Very low | 87 Ų | 87 | 144.8 Ų | 144.8 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | 83.6 | 143.2 | 86.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 418 | V | 30.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | 106.1 | 103.2 | 163 | -170 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 419 | V | 32.8 | Very low | 31.6 | Very low | 214 Ų | 214 | 151.6 Ų | 151.6 | 100% | 1.297 | 85% | 0.845 | S | S | * | * | trans | 73.6 | 0 | 155.7 | -174.2 | 0 | 0 | 0 | 0 | 118.7 |
Retrieved 419 of 419 residues in 1450.2 ms
(Link to these results)