| 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 | 40.9 | Very low | 44 | Very low | 151 Ų | 151 | 69 Ų | 69 | 74% | 0.744 | 43% | 0.426 | S | S | * | . | 0 | 37.5 | 0 | -152.4 | 177.5 | -169.3 | 0 | 0 | 112.5 | V190 K202 A203 | M1-V190 HydrophobicContact CE-CG2 3.93Å; M1-K202 HydrophobicContact CE-CB 4.49Å; M1-A203 HydrophobicContact CE-CB 4.44Å | |||
| 2 | M | 35.7 | Very low | 44.9 | Very low | 144 Ų | 144 | 64.3 Ų | 64.3 | 71% | 0.709 | 40% | 0.401 | S | S | * | . | trans | -122.1 | -16 | 176.4 | -71.6 | -174.8 | 104.1 | 0 | 0 | 113.5 | ||||
| 3 | L | 33.7 | Very low | 46.1 | Very low | 163 Ų | 163 | 59.7 Ų | 59.7 | 85% | 0.853 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -73.9 | -27 | 178.9 | -86.6 | 153.1 | 0 | 0 | 0 | 114 | ||
| 4 | A | 43.5 | Very low | 47.2 | Very low | 28 Ų | 28 | 60.3 Ų | 60.3 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -86.8 | -10.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I186 | A4-I186 HydrophobicContact CB-CG1 3.99Å; A4-I186 HydrophobicContact CB-CG2 4.48Å; A4-I186 WeakPolarHBondContact O-CG1 3.27Å |
| 5 | L | 39.8 | Very low | 48.3 | Very low | 81 Ų | 81 | 61.7 Ų | 61.7 | 42% | 0.424 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -85.7 | -29.3 | -173.5 | -92.4 | 143.8 | 0 | 0 | 0 | 113.8 | ||
| 6 | G | 40 | Very low | 49.7 | Very low | 66 Ų | 66 | 58.2 Ų | 58.2 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -72 | -31.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A8 | G6-A8 PolarHBondContact O-N 3.27Š|
| 7 | G | 45.6 | Very low | 51 | Low | 51 Ų | 51 | 54.8 Ų | 54.8 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -76.3 | -3.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 8 | A | 44.3 | Very low | 52.5 | Low | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -107.1 | -18.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113 | G6 G10 R210 | G6-A8 PolarHBondContact O-N 3.27Å; A8-G10 VanDerWaalsContact C-N 3.3Å; A8-G10 PolarHBondContact O-N 2.75Å; A8-R210 VanDerWaalsContact CB-NH2 3.31Å; A8-R210 PolarHBondContact O-NH2 2.87Å |
| 9 | I | 53.4 | Low | 54.1 | Low | 41 Ų | 41 | 55 Ų | 55 | 21% | 0.21 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -90.1 | 75.8 | 169.8 | -54.1 | -174.2 | 0 | 0 | 0 | 107.9 | L13 F129 R210 F214 | I9-L13 HydrophobicContact CG2-CD2 3.95Å; I9-F129 HydrophobicContact CD1-CD2 4.43Å; I9-F129 HydrophobicContact CD1-CE2 3.36Å; I9-F129 HydrophobicContact CD1-CZ 3.78Å; I9-R210 HydrophobicContact CD1-CG 4.39Å; I9-R210 HydrophobicContact CG1-CG 4.45Å; I9-F214 HydrophobicContact CD1-CD1 3.68Å; I9-F214 HydrophobicContact CD1-CD2 4.01Å; I9-F214 HydrophobicContact CD1-CE1 3.6Å; I9-F214 HydrophobicContact CD1-CE2 4Å; I9-F214 HydrophobicContact CD1-CG 3.88Å; I9-F214 HydrophobicContact CD1-CZ 3.81Å |
| 10 | G | 55 | Low | 55.7 | Low | 14 Ų | 14 | 52.3 Ų | 52.3 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | trans | -86.9 | 173.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | A8 G12 L13 | A8-G10 VanDerWaalsContact C-N 3.3Å; A8-G10 PolarHBondContact O-N 2.75Å; G10-G12 PolarHBondContact O-N 2.89Å; G10-L13 PolarHBondContact O-N 2.83Å; G10-L13 VanDerWaalsContact O-N 3.08Å | ||
| 11 | A | 52.5 | Low | 57.2 | Low | 18 Ų | 18 | 49.8 Ų | 49.8 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.3 | -16.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L13 F14 K15 E90 A93 | A11-L13 VanDerWaalsContact C-N 3.28Å; A11-L13 PolarHBondContact O-N 3.4Å; A11-F14 PolarHBondContact O-N 3.19Å; A11-K15 PolarHBondContact O-N 3.37Å; A11-E90 HydrophobicContact CB-CB 4.3Å; A11-E90 HydrophobicContact CB-CG 4.07Å; A11-A93 HydrophobicContact CB-CB 3.43Å; A11-A93 VanDerWaalsContact CB-CB 3.43Å |
| 12 | G | 54.1 | Low | 59.4 | Low | 12 Ų | 12 | 43.7 Ų | 43.7 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -55.6 | -39.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G10 F14 G16 S179 | G10-G12 PolarHBondContact O-N 2.89Å; G12-F14 VanDerWaalsContact C-N 3.25Å; G12-F14 PolarHBondContact O-N 2.96Å; G12-G16 WeakPolarHBondContact O-CA 3.33Å; G12-G16 PolarHBondContact O-N 3.34Å; G12-S179 PolarHBondContact O-OG 2.73Å |
| 13 | L | 60.5 | Low | 61.9 | Low | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -59.4 | -40.3 | 174.2 | 174.7 | 63.5 | 0 | 0 | 0 | 111.1 | I9 G10 A11 S17 F214 Y215 F239 | I9-L13 HydrophobicContact CG2-CD2 3.95Å; G10-L13 PolarHBondContact O-N 2.83Å; G10-L13 VanDerWaalsContact O-N 3.08Å; A11-L13 VanDerWaalsContact C-N 3.28Å; A11-L13 PolarHBondContact O-N 3.4Å; L13-S17 WeakPolarHBondContact O-CB 3.38Å; L13-S17 PolarHBondContact O-OG 3.39Å; L13-F214 WeakPolarHBondContact CD1-O 3.31Å; L13-F214 HydrophobicContact CD2-CB 4.2Å; L13-F214 HydrophobicContact CD2-CD1 4.48Å; L13-Y215 HydrophobicContact CB-CD1 4.38Å; L13-Y215 HydrophobicContact CB-CE1 3.79Å; L13-Y215 HydrophobicContact CD1-CD1 3.28Å; L13-Y215 HydrophobicContact CD1-CD2 4.31Å; L13-Y215 HydrophobicContact CD1-CE1 3.59Å; L13-Y215 HydrophobicContact CD1-CG 3.71Å; L13-Y215 HydrophobicContact CG-CD1 4.38Å; L13-Y215 HydrophobicContact CG-CE1 4.23Å; L13-F239 HydrophobicContact CD1-CE2 4.17Å; L13-F239 HydrophobicContact CD1-CZ 4.44Å; L13-F239 HydrophobicContact CG-CE2 4.22Å |
| 14 | F | 61.8 | Low | 64.7 | Low | 68 Ų | 68 | 31.4 Ų | 31.4 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -84.8 | -57.8 | -171.3 | -65.6 | -74.6 | 0 | 0 | 0 | 112 | A11 G12 F97 S237 F239 | A11-F14 PolarHBondContact O-N 3.19Å; G12-F14 VanDerWaalsContact C-N 3.25Å; G12-F14 PolarHBondContact O-N 2.96Å; F14-F97 HydrophobicContact CB-CE2 4.21Å; F14-F97 HydrophobicContact CB-CZ 3.73Å; F14-S237 VanDerWaalsContact C-CB 3.47Å; F14-S237 WeakPolarHBondContact CA-OG 3.16Å; F14-S237 WeakPolarHBondContact CB-OG 3.3Å; F14-S237 WeakPolarHBondContact O-CA 3.49Å; F14-S237 WeakPolarHBondContact O-CB 3.45Å; F14-S237 PolarHBondContact O-OG 2.74Å; F14-F239 HydrophobicContact CD1-CB 3.78Å; F14-F239 AromaticContact CD1-CD2 3.65Å; F14-F239 HydrophobicContact CD1-CD2 3.65Å; F14-F239 AromaticContact CD1-CG 3.95Å; F14-F239 HydrophobicContact CD1-CG 3.95Å; F14-F239 HydrophobicContact CE1-CB 3.99Å; F14-F239 HydrophobicContact CE1-CD2 4.13Å; F14-F239 HydrophobicContact CE1-CG 4.12Å |
| 15 | K | 64.1 | Low | 66.9 | Low | 81 Ų | 81 | 30 Ų | 30 | 35% | 0.352 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -77 | -43.8 | -177.7 | -173.7 | -179.6 | 176.5 | -173.3 | 0 | 111.5 | A11 S17 G18 A93 | A11-K15 PolarHBondContact O-N 3.37Å; K15-S17 VanDerWaalsContact C-N 3.26Å; K15-S17 PolarHBondContact O-N 2.87Å; K15-G18 PolarHBondContact O-N 2.93Å; K15-A93 HydrophobicContact CB-CB 4.2Å; K15-A93 HydrophobicContact CD-CB 3.8Å |
| 16 | G | 69.4 | Low | 69.3 | Low | 6 Ų | 6 | 26.2 Ų | 26.2 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -64.9 | -28.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G12 G18 E19 A20 V175 | G12-G16 WeakPolarHBondContact O-CA 3.33Å; G12-G16 PolarHBondContact O-N 3.34Å; G16-G18 PolarHBondContact O-N 2.72Å; G16-E19 PolarHBondContact O-N 3.27Å; G16-A20 VanDerWaalsContact O-CB 3.24Å; G16-A20 WeakPolarHBondContact O-CB 3.24Å; G16-A20 PolarHBondContact O-N 2.8Å; G16-V175 WeakPolarHBondContact O-CG1 3.34Å |
| 17 | S | 73.3 | Confident | 71.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.9 | -73.9 | 0 | 0 | 0 | 0 | 113.3 | L13 K15 A20 I21 M219 | L13-S17 WeakPolarHBondContact O-CB 3.38Å; L13-S17 PolarHBondContact O-OG 3.39Å; K15-S17 VanDerWaalsContact C-N 3.26Å; K15-S17 PolarHBondContact O-N 2.87Å; S17-A20 PolarHBondContact O-N 3.49Å; S17-I21 WeakPolarHBondContact O-CB 3.48Å; S17-I21 VanDerWaalsContact O-CD1 3.32Å; S17-I21 WeakPolarHBondContact O-CD1 3.49Å; S17-I21 WeakPolarHBondContact O-CG1 3.42Å; S17-I21 PolarHBondContact O-N 3.1Å; S17-M219 VanDerWaalsContact CB-CE 3.47Å; S17-M219 VanDerWaalsContact OG-CE 3.29Å; S17-M219 WeakPolarHBondContact OG-CE 3.33Å |
| 18 | G | 77.9 | Confident | 73.9 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K15 G16 I21 G22 | K15-G18 PolarHBondContact O-N 2.93Å; G16-G18 PolarHBondContact O-N 2.72Å; G18-I21 PolarHBondContact O-N 3.36Å; G18-G22 PolarHBondContact O-N 3.18Å |
| 19 | E | 82.1 | Confident | 76 | Confident | 109 Ų | 109 | 21.5 Ų | 21.5 | 51% | 0.509 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 175.7 | -176.2 | 175.2 | 178.9 | 0 | 0 | 112 | G16 I21 G22 I23 V175 | G16-E19 PolarHBondContact O-N 3.27Å; E19-I21 PolarHBondContact O-N 3.06Å; E19-G22 PolarHBondContact O-N 2.68Å; E19-G22 VanDerWaalsContact O-N 3.09Å; E19-I23 HydrophobicContact CG-CD1 3.86Å; E19-I23 VanDerWaalsContact O-CG1 3.29Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; E19-I23 PolarHBondContact O-N 3.44Å; E19-V175 HydrophobicContact CG-CG2 4.39Å |
| 20 | A | 86.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.6 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | G16 S17 G22 I23 A24 V28 V175 | G16-A20 VanDerWaalsContact O-CB 3.24Å; G16-A20 WeakPolarHBondContact O-CB 3.24Å; G16-A20 PolarHBondContact O-N 2.8Å; S17-A20 PolarHBondContact O-N 3.49Å; A20-G22 VanDerWaalsContact C-N 3.33Å; A20-I23 PolarHBondContact O-N 3.21Å; A20-A24 PolarHBondContact O-N 3.22Å; A20-V28 HydrophobicContact CB-CG2 3.58Å; A20-V175 HydrophobicContact CB-CB 4.24Å; A20-V175 HydrophobicContact CB-CG1 3.97Å |
| 21 | I | 87.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 171.9 | -67.2 | 160.7 | 0 | 0 | 0 | 110.2 | S17 G18 E19 I23 G25 V28 M219 L223 W228 L231 P238 | S17-I21 WeakPolarHBondContact O-CB 3.48Å; S17-I21 VanDerWaalsContact O-CD1 3.32Å; S17-I21 WeakPolarHBondContact O-CD1 3.49Å; S17-I21 WeakPolarHBondContact O-CG1 3.42Å; S17-I21 PolarHBondContact O-N 3.1Å; G18-I21 PolarHBondContact O-N 3.36Å; E19-I21 PolarHBondContact O-N 3.06Å; I21-I23 VanDerWaalsContact C-N 3.31Å; I21-I23 PolarHBondContact O-N 3.39Å; I21-G25 WeakPolarHBondContact O-CA 3.24Å; I21-G25 PolarHBondContact O-N 3.02Å; I21-V28 HydrophobicContact CG1-CG1 3.99Å; I21-M219 HydrophobicContact CD1-CE 4.15Å; I21-M219 HydrophobicContact CD1-SD 3.54Å; I21-M219 VanDerWaalsContact CD1-SD 3.54Å; I21-M219 HydrophobicContact CG1-CE 4.19Å; I21-M219 HydrophobicContact CG1-SD 3.44Å; I21-M219 WeakPolarHBondContact CG1-SD 3.39Å; I21-L223 HydrophobicContact CG2-CD2 4.13Å; I21-W228 HydrophobicContact CG2-CB 3.81Å; I21-W228 HydrophobicContact CG2-CE3 4.41Å; I21-L231 HydrophobicContact CD1-CB 4.16Å; I21-L231 HydrophobicContact CD1-CD1 4.08Å; I21-L231 HydrophobicContact CG2-CB 4.28Å; I21-P238 HydrophobicContact CD1-CG 4.07Å |
| 22 | G | 87.4 | Confident | 81.5 | Confident | 24 Ų | 24 | 21.4 Ų | 21.4 | 25% | 0.247 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.2 | -33.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G18 E19 A20 H164 A232 | G18-G22 PolarHBondContact O-N 3.18Å; E19-G22 PolarHBondContact O-N 2.68Å; E19-G22 VanDerWaalsContact O-N 3.09Å; A20-G22 VanDerWaalsContact C-N 3.33Å; G22-H164 PolarHBondContact O-CD2 3.16Å; G22-H164 PolarHBondContact O-NE2 3.49Å; G22-H164 VanDerWaalsContact O-NE2 3.16Å; G22-A232 VanDerWaalsContact CA-CB 3.43Å |
| 23 | I | 88.8 | Confident | 83.4 | Confident | 48 Ų | 48 | 24.9 Ų | 24.9 | 25% | 0.246 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -79.4 | -39.9 | -179.8 | -65.5 | 165.8 | 0 | 0 | 0 | 111.8 | E19 A20 I21 H164 G168 N171 V175 | E19-I23 HydrophobicContact CG-CD1 3.86Å; E19-I23 VanDerWaalsContact O-CG1 3.29Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; E19-I23 PolarHBondContact O-N 3.44Å; A20-I23 PolarHBondContact O-N 3.21Å; I21-I23 VanDerWaalsContact C-N 3.31Å; I21-I23 PolarHBondContact O-N 3.39Å; I23-H164 WeakPolarHBondContact O-CB 3.37Å; I23-H164 PolarHBondContact O-CD2 3.31Å; I23-G168 WeakPolarHBondContact CG2-O 3.48Å; I23-G168 WeakPolarHBondContact O-CA 3.46Å; I23-N171 HydrophobicContact CG2-CB 3.7Å; I23-V175 HydrophobicContact CD1-CG2 3.9Å |
| 24 | A | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -108.3 | -16.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A20 S27 V28 S172 | A20-A24 PolarHBondContact O-N 3.22Å; A24-S27 PolarHBondContact O-OG 2.78Å; A24-V28 HydrophobicContact CB-CB 3.99Å; A24-S172 WeakPolarHBondContact CB-OG 3.44Å |
| 25 | G | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | 62.2 | -148.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I21 S27 V28 | I21-G25 WeakPolarHBondContact O-CA 3.24Å; I21-G25 PolarHBondContact O-N 3.02Å; G25-S27 PolarHBondContact O-N 3.5Å; G25-S27 VanDerWaalsContact O-N 3.1Å; G25-V28 VanDerWaalsContact O-CB 3.31Å; G25-V28 WeakPolarHBondContact O-CB 3.26Å; G25-V28 VanDerWaalsContact O-CG1 3.29Å; G25-V28 WeakPolarHBondContact O-CG1 3.43Å; G25-V28 PolarHBondContact O-N 3.2Å |
| 26 | P | 90.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -57.8 | -26 | 179.4 | -24.4 | 33.6 | 0 | 0 | 0 | 114.3 | V28 I29 M155 F161 W228 | P26-V28 PolarHBondContact O-N 3.01Å; P26-I29 PolarHBondContact O-N 2.87Å; P26-M155 HydrophobicContact CB-CE 4.27Å; P26-M155 WeakPolarHBondContact CG-O 3.14Å; P26-F161 HydrophobicContact CB-CD2 3.71Å; P26-F161 HydrophobicContact CB-CE2 3.99Å; P26-F161 WeakPolarHBondContact CD-O 3.23Å; P26-W228 HydrophobicContact CG-CB 4.43Å; P26-W228 HydrophobicContact CG-CG 4.15Å |
| 27 | S | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -64.4 | -8.3 | 176.6 | 77 | 0 | 0 | 0 | 0 | 114.5 | A24 G25 I29 L30 A31 F161 | A24-S27 PolarHBondContact O-OG 2.78Å; G25-S27 PolarHBondContact O-N 3.5Å; G25-S27 VanDerWaalsContact O-N 3.1Å; S27-I29 PolarHBondContact O-N 3.42Å; S27-I29 VanDerWaalsContact O-N 3.14Å; S27-L30 WeakPolarHBondContact O-CA 3.26Å; S27-L30 WeakPolarHBondContact O-CB 3.29Å; S27-L30 PolarHBondContact O-N 3.43Å; S27-A31 PolarHBondContact O-N 2.67Å; S27-F161 VanDerWaalsContact CB-O 3.3Å; S27-F161 WeakPolarHBondContact CB-O 3.09Å; S27-F161 PolarHBondContact N-O 3.37Å |
| 28 | V | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.7 | -28.7 | 170.2 | 74.8 | 0 | 0 | 0 | 0 | 112.5 | A20 I21 A24 G25 P26 L30 A31 F32 M219 L223 | A20-V28 HydrophobicContact CB-CG2 3.58Å; I21-V28 HydrophobicContact CG1-CG1 3.99Å; A24-V28 HydrophobicContact CB-CB 3.99Å; G25-V28 VanDerWaalsContact O-CB 3.31Å; G25-V28 WeakPolarHBondContact O-CB 3.26Å; G25-V28 VanDerWaalsContact O-CG1 3.29Å; G25-V28 WeakPolarHBondContact O-CG1 3.43Å; G25-V28 PolarHBondContact O-N 3.2Å; P26-V28 PolarHBondContact O-N 3.01Å; V28-L30 VanDerWaalsContact C-N 3.29Å; V28-L30 PolarHBondContact O-N 2.52Å; V28-A31 CarbonylContact O-C 3.43Å; V28-A31 WeakPolarHBondContact O-CA 3.31Å; V28-A31 WeakPolarHBondContact O-CB 3.19Å; V28-A31 PolarHBondContact O-N 3Å; V28-F32 HydrophobicContact CG2-CD2 3.85Å; V28-F32 HydrophobicContact CG2-CE2 3.6Å; V28-F32 VanDerWaalsContact O-CD2 3.27Å; V28-F32 WeakPolarHBondContact O-CD2 3.27Å; V28-F32 PolarHBondContact O-N 3.08Å; V28-M219 HydrophobicContact CG1-CG 3.82Å; V28-M219 HydrophobicContact CG1-SD 3.64Å; V28-L223 HydrophobicContact CG1-CD1 3.82Å |
| 29 | I | 90 | Very high | 90.4 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 10% | 0.097 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 174.5 | -65.9 | 158.7 | 0 | 0 | 0 | 110.7 | P26 S27 A31 F32 L33 M155 M219 V220 L223 | P26-I29 PolarHBondContact O-N 2.87Å; S27-I29 PolarHBondContact O-N 3.42Å; S27-I29 VanDerWaalsContact O-N 3.14Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-F32 PolarHBondContact O-N 3.35Å; I29-L33 HydrophobicContact CG2-CD1 4.16Å; I29-L33 WeakPolarHBondContact O-CG 3.27Å; I29-L33 PolarHBondContact O-N 3.46Å; I29-M155 HydrophobicContact CD1-CE 3.25Å; I29-M219 HydrophobicContact CG1-CG 4.07Å; I29-V220 HydrophobicContact CD1-CG2 3.74Å; I29-V220 HydrophobicContact CG1-CG2 3.95Å; I29-V220 HydrophobicContact CG2-CG2 4.1Å; I29-L223 HydrophobicContact CD1-CD1 3.62Å; I29-L223 HydrophobicContact CG1-CD1 3.81Å |
| 30 | L | 92.4 | Very high | 90.9 | Very high | 72 Ų | 72 | 29.1 Ų | 29.1 | 38% | 0.377 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.8 | -37.2 | 173.6 | -63.9 | -174.5 | 0 | 0 | 0 | 110.9 | S27 V28 L33 L34 F161 L169 | S27-L30 WeakPolarHBondContact O-CA 3.26Å; S27-L30 WeakPolarHBondContact O-CB 3.29Å; S27-L30 PolarHBondContact O-N 3.43Å; V28-L30 VanDerWaalsContact C-N 3.29Å; V28-L30 PolarHBondContact O-N 2.52Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 PolarHBondContact O-N 3.36Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 2.87Å; L30-L34 VanDerWaalsContact O-CG 3.25Å; L30-L34 WeakPolarHBondContact O-CG 2.92Å; L30-L34 PolarHBondContact O-N 3.09Å; L30-F161 HydrophobicContact CD1-CE1 3.63Å; L30-F161 HydrophobicContact CD1-CZ 4.35Å; L30-F161 HydrophobicContact CG-CE1 3.82Å; L30-F161 HydrophobicContact CG-CZ 4.04Å; L30-L169 HydrophobicContact CB-CD1 3.84Å; L30-L169 HydrophobicContact CD1-CD1 3.88Å; L30-L169 HydrophobicContact CG-CD1 4.49Å |
| 31 | A | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S27 V28 I29 L33 L34 G35 S172 L173 V176 | S27-A31 PolarHBondContact O-N 2.67Å; V28-A31 CarbonylContact O-C 3.43Å; V28-A31 WeakPolarHBondContact O-CA 3.31Å; V28-A31 WeakPolarHBondContact O-CB 3.19Å; V28-A31 PolarHBondContact O-N 3Å; I29-A31 VanDerWaalsContact C-N 3.3Å; A31-L33 PolarHBondContact O-N 3.35Å; A31-L34 PolarHBondContact O-N 3.37Å; A31-G35 PolarHBondContact O-N 2.8Å; A31-S172 WeakPolarHBondContact CB-OG 3.48Å; A31-L173 HydrophobicContact CB-CD2 3.96Å; A31-L173 HydrophobicContact CB-CG 4.42Å; A31-L173 WeakPolarHBondContact O-CD2 3.41Å; A31-V176 HydrophobicContact CB-CG2 3.93Å |
| 32 | F | 90.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 173.9 | -79.9 | -74 | 0 | 0 | 0 | 112.4 | V28 I29 G36 V176 Y180 Y215 I216 M219 | V28-F32 HydrophobicContact CG2-CD2 3.85Å; V28-F32 HydrophobicContact CG2-CE2 3.6Å; V28-F32 VanDerWaalsContact O-CD2 3.27Å; V28-F32 WeakPolarHBondContact O-CD2 3.27Å; V28-F32 PolarHBondContact O-N 3.08Å; I29-F32 PolarHBondContact O-N 3.35Å; F32-G36 PolarHBondContact O-N 3.38Å; F32-V176 HydrophobicContact CD1-CB 4.38Å; F32-V176 HydrophobicContact CD1-CG1 3.74Å; F32-V176 HydrophobicContact CD1-CG2 3.97Å; F32-V176 HydrophobicContact CD2-CG2 4.05Å; F32-V176 HydrophobicContact CE1-CB 4.39Å; F32-V176 HydrophobicContact CE1-CG1 4.15Å; F32-V176 HydrophobicContact CE1-CG2 3.91Å; F32-V176 HydrophobicContact CE2-CG2 3.98Å; F32-V176 HydrophobicContact CG-CG1 4.2Å; F32-V176 HydrophobicContact CG-CG2 4.03Å; F32-V176 HydrophobicContact CZ-CG2 3.93Å; F32-Y180 WeakPolarHBondContact CA-OH 3.37Å; F32-Y180 WeakPolarHBondContact CB-OH 3.29Å; F32-Y180 AromaticContact CD1-CE1 3.99Å; F32-Y180 HydrophobicContact CD1-CE1 3.99Å; F32-Y180 AromaticContact CD1-CZ 3.72Å; F32-Y180 VanDerWaalsContact CD1-OH 3.31Å; F32-Y180 WeakPolarHBondContact CD1-OH 3.37Å; F32-Y180 HydrophobicContact CE1-CE1 4.44Å; F32-Y180 PolarHBondContact O-OH 3.44Å; F32-Y215 HydrophobicContact CD1-CD1 4.17Å; F32-Y215 HydrophobicContact CD1-CG 4.37Å; F32-Y215 AromaticContact CE1-CD1 3.61Å; F32-Y215 HydrophobicContact CE1-CD1 3.61Å; F32-Y215 HydrophobicContact CE1-CG 4.23Å; F32-Y215 HydrophobicContact CZ-CD1 4.48Å; F32-I216 HydrophobicContact CB-CG1 3.98Å; F32-M219 HydrophobicContact CD2-CE 4.19Å; F32-M219 HydrophobicContact CD2-CG 4.16Å; F32-M219 HydrophobicContact CE2-CE 3.34Å; F32-M219 HydrophobicContact CE2-CG 4.22Å; F32-M219 HydrophobicContact CE2-SD 4.28Å; F32-M219 HydrophobicContact CZ-CE 3.85Å |
| 33 | L | 92.5 | Very high | 91.4 | Very high | 85 Ų | 85 | 37 Ų | 37 | 45% | 0.445 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.9 | -48.1 | 175.8 | -76 | 166.3 | 0 | 0 | 0 | 112.4 | I29 L30 A31 G36 L37 I216 | I29-L33 HydrophobicContact CG2-CD1 4.16Å; I29-L33 WeakPolarHBondContact O-CG 3.27Å; I29-L33 PolarHBondContact O-N 3.46Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 PolarHBondContact O-N 3.36Å; A31-L33 PolarHBondContact O-N 3.35Å; L33-G36 PolarHBondContact O-N 2.91Å; L33-L37 PolarHBondContact O-N 3.5Å; L33-I216 HydrophobicContact CD2-CD1 3.7Å; L33-I216 HydrophobicContact CG-CD1 4.19Å |
| 34 | L | 94.1 | Very high | 91.5 | Very high | 77 Ų | 77 | 37.3 Ų | 37.3 | 40% | 0.403 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 179.1 | -72.9 | 172.6 | 0 | 0 | 0 | 111.5 | L30 A31 G36 L37 V38 L169 L173 | L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 2.87Å; L30-L34 VanDerWaalsContact O-CG 3.25Å; L30-L34 WeakPolarHBondContact O-CG 2.92Å; L30-L34 PolarHBondContact O-N 3.09Å; A31-L34 PolarHBondContact O-N 3.37Å; L34-G36 VanDerWaalsContact C-N 3.27Å; L34-G36 PolarHBondContact O-N 3.46Å; L34-L37 WeakPolarHBondContact O-CB 3.49Å; L34-L37 PolarHBondContact O-N 3.31Å; L34-V38 WeakPolarHBondContact O-CG2 3.43Å; L34-V38 PolarHBondContact O-N 2.95Å; L34-L169 HydrophobicContact CD1-CD2 4.1Å; L34-L173 HydrophobicContact CB-CD2 3.87Å |
| 35 | G | 91.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A31 V38 L39 Y180 | A31-G35 PolarHBondContact O-N 2.8Å; G35-V38 PolarHBondContact O-N 3.32Å; G35-L39 WeakPolarHBondContact O-CB 3.36Å; G35-L39 PolarHBondContact O-N 2.84Å; G35-Y180 VanDerWaalsContact C-CE2 3.44Å |
| 36 | G | 91.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.1 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F32 L33 L34 L39 F40 Y180 | F32-G36 PolarHBondContact O-N 3.38Å; L33-G36 PolarHBondContact O-N 2.91Å; L34-G36 VanDerWaalsContact C-N 3.27Å; L34-G36 PolarHBondContact O-N 3.46Å; G36-L39 PolarHBondContact O-N 2.84Å; G36-F40 WeakPolarHBondContact O-CB 3.37Å; G36-F40 PolarHBondContact O-N 3.29Å; G36-Y180 VanDerWaalsContact N-CE2 3.3Å |
| 37 | L | 94 | Very high | 91 | Very high | 95 Ų | 95 | 39.9 Ų | 39.9 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 173.2 | -179.9 | 65.7 | 0 | 0 | 0 | 111.8 | L33 L34 L39 F40 I41 | L33-L37 PolarHBondContact O-N 3.5Å; L34-L37 WeakPolarHBondContact O-CB 3.49Å; L34-L37 PolarHBondContact O-N 3.31Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-F40 WeakPolarHBondContact O-CB 3.34Å; L37-F40 PolarHBondContact O-N 3.17Å; L37-I41 HydrophobicContact CG-CD1 4.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.34Å; L37-I41 PolarHBondContact O-N 2.92Å |
| 38 | V | 93.3 | Very high | 90.8 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.4 | -48 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 110 | L34 G35 F40 I41 V42 | L34-V38 WeakPolarHBondContact O-CG2 3.43Å; L34-V38 PolarHBondContact O-N 2.95Å; G35-V38 PolarHBondContact O-N 3.32Å; V38-F40 VanDerWaalsContact C-N 3.31Å; V38-F40 PolarHBondContact O-N 3.19Å; V38-I41 PolarHBondContact O-N 3.35Å; V38-V42 HydrophobicContact CG1-CG2 4.4Å; V38-V42 WeakPolarHBondContact O-CG2 3.36Å; V38-V42 PolarHBondContact O-N 3.28Å |
| 39 | L | 90.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.8 | -173.1 | 73.8 | 0 | 0 | 0 | 111.7 | G35 G36 L37 I41 V42 M43 Y180 V207 M208 I211 | G35-L39 WeakPolarHBondContact O-CB 3.36Å; G35-L39 PolarHBondContact O-N 2.84Å; G36-L39 PolarHBondContact O-N 2.84Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L39-I41 VanDerWaalsContact C-N 3.32Å; L39-I41 PolarHBondContact O-N 3.15Å; L39-V42 PolarHBondContact O-N 2.86Å; L39-M43 HydrophobicContact CD1-CG 4.31Å; L39-M43 HydrophobicContact CD2-SD 4.33Å; L39-M43 HydrophobicContact CG-CG 4.12Å; L39-M43 HydrophobicContact CG-SD 4.21Å; L39-M43 WeakPolarHBondContact O-CB 3.49Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 2.86Å; L39-Y180 HydrophobicContact CD2-CG 4.48Å; L39-V207 HydrophobicContact CD2-CG1 3.82Å; L39-M208 HydrophobicContact CD2-CE 4.17Å; L39-M208 HydrophobicContact CG-CE 4.31Å; L39-I211 HydrophobicContact CD2-CD1 3.33Å |
| 40 | F | 92.1 | Very high | 90.2 | Very high | 86 Ų | 86 | 51.2 Ų | 51.2 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 175.6 | 178.6 | -102.1 | 0 | 0 | 0 | 111.4 | G36 L37 V38 M43 N44 I204 M208 | G36-F40 WeakPolarHBondContact O-CB 3.37Å; G36-F40 PolarHBondContact O-N 3.29Å; L37-F40 WeakPolarHBondContact O-CB 3.34Å; L37-F40 PolarHBondContact O-N 3.17Å; V38-F40 VanDerWaalsContact C-N 3.31Å; V38-F40 PolarHBondContact O-N 3.19Å; F40-M43 PolarHBondContact O-N 2.75Å; F40-N44 WeakPolarHBondContact CD2-ND2 3.48Å; F40-N44 WeakPolarHBondContact CE1-ND2 3.4Å; F40-N44 WeakPolarHBondContact CE2-ND2 3.06Å; F40-N44 WeakPolarHBondContact CZ-ND2 3.16Å; F40-N44 WeakPolarHBondContact O-CB 3.43Å; F40-N44 PolarHBondContact O-N 3.13Å; F40-N44 PolarHBondContact O-ND2 3.05Å; F40-I204 HydrophobicContact CD2-CG2 3.96Å; F40-I204 HydrophobicContact CE2-CG2 4Å; F40-M208 HydrophobicContact CB-CE 3.78Å; F40-M208 HydrophobicContact CB-SD 3.76Å; F40-M208 HydrophobicContact CD2-CE 4.13Å; F40-M208 HydrophobicContact CD2-CG 3.82Å; F40-M208 HydrophobicContact CD2-SD 3.93Å; F40-M208 HydrophobicContact CG-CE 4.48Å; F40-M208 HydrophobicContact CG-SD 4.3Å |
| 41 | I | 93.5 | Very high | 89.8 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 54% | 0.544 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 177.1 | -65.9 | 164.5 | 0 | 0 | 0 | 110.3 | L37 V38 L39 M43 N44 G45 | L37-I41 HydrophobicContact CG-CD1 4.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.34Å; L37-I41 PolarHBondContact O-N 2.92Å; V38-I41 PolarHBondContact O-N 3.35Å; L39-I41 VanDerWaalsContact C-N 3.32Å; L39-I41 PolarHBondContact O-N 3.15Å; I41-M43 PolarHBondContact O-N 2.9Å; I41-N44 PolarHBondContact O-N 3.39Å; I41-G45 PolarHBondContact O-N 3.13Å |
| 42 | V | 89.8 | Confident | 89.3 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 179.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | V38 L39 N44 G45 L46 | V38-V42 HydrophobicContact CG1-CG2 4.4Å; V38-V42 WeakPolarHBondContact O-CG2 3.36Å; V38-V42 PolarHBondContact O-N 3.28Å; L39-V42 PolarHBondContact O-N 2.86Å; V42-N44 PolarHBondContact O-N 2.94Å; V42-G45 PolarHBondContact O-N 3.27Å; V42-L46 WeakPolarHBondContact O-CB 3.27Å; V42-L46 PolarHBondContact O-N 3.43Å |
| 43 | M | 88.4 | Confident | 88.7 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 179.8 | -73 | -170.1 | 82.8 | 0 | 0 | 112.7 | L39 F40 I41 G47 A187 I204 V207 M208 | L39-M43 HydrophobicContact CD1-CG 4.31Å; L39-M43 HydrophobicContact CD2-SD 4.33Å; L39-M43 HydrophobicContact CG-CG 4.12Å; L39-M43 HydrophobicContact CG-SD 4.21Å; L39-M43 WeakPolarHBondContact O-CB 3.49Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 2.86Å; F40-M43 PolarHBondContact O-N 2.75Å; I41-M43 PolarHBondContact O-N 2.9Å; M43-G47 PolarHBondContact O-N 3.38Å; M43-A187 HydrophobicContact CE-CB 4.11Å; M43-I204 HydrophobicContact CB-CD1 4.27Å; M43-I204 HydrophobicContact CB-CG1 4.04Å; M43-I204 HydrophobicContact CB-CG2 4.48Å; M43-I204 HydrophobicContact CE-CG1 3.96Å; M43-V207 HydrophobicContact CE-CB 4.07Å; M43-V207 HydrophobicContact CE-CG1 4.39Å; M43-V207 HydrophobicContact CE-CG2 3.74Å; M43-V207 HydrophobicContact SD-CB 3.88Å; M43-V207 HydrophobicContact SD-CG1 3.66Å; M43-V207 HydrophobicContact SD-CG2 4.13Å; M43-M208 HydrophobicContact SD-CE 3.92Å |
| 44 | N | 89.7 | Confident | 87.6 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 173.5 | -83.8 | -88 | 0 | 0 | 0 | 111.4 | F40 I41 V42 R48 | F40-N44 WeakPolarHBondContact CD2-ND2 3.48Å; F40-N44 WeakPolarHBondContact CE1-ND2 3.4Å; F40-N44 WeakPolarHBondContact CE2-ND2 3.06Å; F40-N44 WeakPolarHBondContact CZ-ND2 3.16Å; F40-N44 WeakPolarHBondContact O-CB 3.43Å; F40-N44 PolarHBondContact O-N 3.13Å; F40-N44 PolarHBondContact O-ND2 3.05Å; I41-N44 PolarHBondContact O-N 3.39Å; V42-N44 PolarHBondContact O-N 2.94Å; N44-R48 WeakPolarHBondContact O-CG 3.27Å; N44-R48 PolarHBondContact O-N 3.2Å; N44-R48 VanDerWaalsContact O-N 3.17Å |
| 45 | G | 89.2 | Confident | 86.3 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63 | -51.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I41 V42 G47 R48 L49 | I41-G45 PolarHBondContact O-N 3.13Å; V42-G45 PolarHBondContact O-N 3.27Å; G45-G47 VanDerWaalsContact C-N 3.32Å; G45-G47 PolarHBondContact O-N 3.24Å; G45-R48 WeakPolarHBondContact O-CB 3.36Å; G45-R48 PolarHBondContact O-N 2.92Å; G45-R48 VanDerWaalsContact O-N 3.12Å; G45-L49 PolarHBondContact O-N 3.26Å; G45-L49 VanDerWaalsContact O-N 3.1Å |
| 46 | L | 85.8 | Confident | 85.1 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 9% | 0.089 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 176.4 | 179.8 | 61.5 | 0 | 0 | 0 | 111.4 | V42 R48 L49 V50 L59 I62 A187 I188 | V42-L46 WeakPolarHBondContact O-CB 3.27Å; V42-L46 PolarHBondContact O-N 3.43Å; L46-R48 PolarHBondContact O-N 3.28Å; L46-L49 PolarHBondContact O-N 2.89Å; L46-V50 HydrophobicContact CD1-CG2 4.32Å; L46-V50 HydrophobicContact CG-CG2 4.43Å; L46-V50 VanDerWaalsContact O-CG2 3.32Å; L46-V50 WeakPolarHBondContact O-CG2 3.21Å; L46-V50 PolarHBondContact O-N 3.42Å; L46-L59 HydrophobicContact CD1-CD1 3.67Å; L46-I62 HydrophobicContact CD1-CD1 4.08Å; L46-I62 HydrophobicContact CD1-CG2 4.45Å; L46-A187 HydrophobicContact CD2-CB 4Å; L46-I188 HydrophobicContact CD2-CG1 4.44Å |
| 47 | G | 86 | Confident | 83.9 | Confident | 4 Ų | 4 | 72 Ų | 72 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.1 | -34.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M43 G45 L51 | M43-G47 PolarHBondContact O-N 3.38Å; G45-G47 VanDerWaalsContact C-N 3.32Å; G45-G47 PolarHBondContact O-N 3.24Å; G47-L51 WeakPolarHBondContact O-CG 3.49Å; G47-L51 PolarHBondContact O-N 3.33Å |
| 48 | R | 86.8 | Confident | 82.9 | Confident | 194 Ų | 194 | 68.6 Ų | 68.6 | 73% | 0.732 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.2 | -44.6 | 174.4 | -71.8 | 171.9 | -179.9 | -131 | 1.6 | 112.1 | N44 G45 L46 V50 L51 D52 | N44-R48 WeakPolarHBondContact O-CG 3.27Å; N44-R48 PolarHBondContact O-N 3.2Å; N44-R48 VanDerWaalsContact O-N 3.17Å; G45-R48 WeakPolarHBondContact O-CB 3.36Å; G45-R48 PolarHBondContact O-N 2.92Å; G45-R48 VanDerWaalsContact O-N 3.12Å; L46-R48 PolarHBondContact O-N 3.28Å; R48-V50 VanDerWaalsContact C-N 3.31Å; R48-V50 PolarHBondContact O-N 3.28Å; R48-L51 PolarHBondContact O-N 2.99Å; R48-L51 VanDerWaalsContact O-N 3.16Å; R48-D52 PolarHBondContact O-N 3.47Å |
| 49 | L | 85.8 | Confident | 81.9 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 178.4 | -66.9 | 172.3 | 0 | 0 | 0 | 111.6 | G45 L46 L51 D52 S53 I62 F66 | G45-L49 PolarHBondContact O-N 3.26Å; G45-L49 VanDerWaalsContact O-N 3.1Å; L46-L49 PolarHBondContact O-N 2.89Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 3.24Å; L49-D52 PolarHBondContact O-N 3.3Å; L49-S53 PolarHBondContact O-N 3.41Å; L49-S53 VanDerWaalsContact O-N 3.09Å; L49-S53 PolarHBondContact O-OG 2.94Å; L49-I62 HydrophobicContact CB-CG2 3.44Å; L49-I62 VanDerWaalsContact CB-CG2 3.44Å; L49-I62 HydrophobicContact CD1-CG2 4.34Å; L49-I62 HydrophobicContact CG-CG2 4.49Å; L49-F66 HydrophobicContact CD2-CD2 4.17Å; L49-F66 HydrophobicContact CD2-CE1 4.29Å; L49-F66 HydrophobicContact CD2-CE2 3.74Å; L49-F66 HydrophobicContact CD2-CZ 3.81Å |
| 50 | V | 83.3 | Confident | 81.4 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.036 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 175 | 166.2 | 0 | 0 | 0 | 0 | 112.4 | L46 R48 D52 S53 V56 I62 I200 | L46-V50 HydrophobicContact CD1-CG2 4.32Å; L46-V50 HydrophobicContact CG-CG2 4.43Å; L46-V50 VanDerWaalsContact O-CG2 3.32Å; L46-V50 WeakPolarHBondContact O-CG2 3.21Å; L46-V50 PolarHBondContact O-N 3.42Å; R48-V50 VanDerWaalsContact C-N 3.31Å; R48-V50 PolarHBondContact O-N 3.28Å; V50-D52 PolarHBondContact O-N 3.13Å; V50-S53 PolarHBondContact O-OG 3.12Å; V50-V56 HydrophobicContact CG1-CG2 4.37Å; V50-I62 HydrophobicContact CG2-CD1 3.44Å; V50-I62 VanDerWaalsContact CG2-CD1 3.44Å; V50-I62 HydrophobicContact CG2-CG1 4.15Å; V50-I200 HydrophobicContact CB-CD1 3.97Å; V50-I200 HydrophobicContact CG1-CD1 3.42Å; V50-I200 VanDerWaalsContact CG1-CD1 3.42Å |
| 51 | L | 83.8 | Confident | 80.8 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.6 | -16.7 | -178 | -70.5 | 176.6 | 0 | 0 | 0 | 113.5 | G47 R48 L49 P196 K197 I200 | G47-L51 WeakPolarHBondContact O-CG 3.49Å; G47-L51 PolarHBondContact O-N 3.33Å; R48-L51 PolarHBondContact O-N 2.99Å; R48-L51 VanDerWaalsContact O-N 3.16Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 3.24Å; L51-P196 HydrophobicContact CD2-CB 4.05Å; L51-P196 HydrophobicContact CD2-CG 4.22Å; L51-K197 HydrophobicContact CD2-CB 4.29Å; L51-K197 HydrophobicContact CD2-CG 3.63Å; L51-I200 HydrophobicContact CD2-CD1 3.9Å; L51-I200 HydrophobicContact CG-CD1 3.95Å |
| 52 | D | 83.3 | Confident | 80.3 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 64% | 0.642 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -98.4 | -14.9 | 179.1 | -158.4 | 49.9 | 0 | 0 | 0 | 112.5 | R48 L49 V50 | R48-D52 PolarHBondContact O-N 3.47Å; L49-D52 PolarHBondContact O-N 3.3Å; V50-D52 PolarHBondContact O-N 3.13Å |
| 53 | S | 77.1 | Confident | 80 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | trans | -84.2 | 126.4 | -180 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | L49 V50 N55 V56 | L49-S53 PolarHBondContact O-N 3.41Å; L49-S53 VanDerWaalsContact O-N 3.09Å; L49-S53 PolarHBondContact O-OG 2.94Å; V50-S53 PolarHBondContact O-OG 3.12Å; S53-N55 VanDerWaalsContact C-N 3.31Å; S53-N55 PolarHBondContact O-N 3.16Å; S53-V56 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 54 | D | 70.1 | Confident | 79.9 | Confident | 176 Ų | 176 | 59.2 Ų | 59.2 | 94% | 0.941 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -71.9 | -20.8 | 178.9 | -68 | -38.7 | 0 | 0 | 0 | 113.9 | ||
| 55 | N | 66.2 | Low | 79.8 | Confident | 110 Ų | 110 | 61.3 Ų | 61.3 | 59% | 0.588 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -150.3 | 99 | -178.4 | -163.6 | -10.4 | 0 | 0 | 0 | 110.9 | S53 Q57 | S53-N55 VanDerWaalsContact C-N 3.31Å; S53-N55 PolarHBondContact O-N 3.16Å; N55-Q57 PolarHBondContact O-N 3.44Å |
| 56 | V | 66.1 | Low | 79.7 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -85.1 | 106.8 | 179.8 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | V50 S53 I62 S191 | V50-V56 HydrophobicContact CG1-CG2 4.37Å; S53-V56 WeakPolarHBondContact OG-CG2 3.38Å; V56-I62 HydrophobicContact CG1-CD1 3.87Å; V56-I62 HydrophobicContact CG1-CG1 3.77Å; V56-I62 HydrophobicContact CG2-CG1 4.37Å; V56-S191 VanDerWaalsContact CG1-OG 3.24Å; V56-S191 WeakPolarHBondContact CG1-OG 3.47Å | ||
| 57 | Q | 66.9 | Low | 79.8 | Confident | 143 Ų | 143 | 68.4 Ų | 68.4 | 67% | 0.668 | 36% | 0.357 | S | S | * | . | trans | -114.2 | 79.9 | 167.2 | -66.7 | -176.2 | 19.4 | 0 | 0 | 108.7 | N55 G61 | N55-Q57 PolarHBondContact O-N 3.44Å; Q57-G61 PolarHBondContact O-N 3.03Å; Q57-G61 VanDerWaalsContact O-N 3.15Å | ||
| 58 | G | 73.7 | Confident | 80.1 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 25% | 0.247 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | 63.6 | -169.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S60 G61 I62 | G58-S60 PolarHBondContact O-N 3.17Å; G58-G61 PolarHBondContact O-N 3.28Å; G58-I62 WeakPolarHBondContact O-CG1 3.39Å; G58-I62 PolarHBondContact O-N 3.21Å |
| 59 | L | 72.5 | Confident | 80.2 | Confident | 39 Ų | 39 | 66 Ų | 66 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | -176.5 | -171.7 | 64.2 | 0 | 0 | 0 | 112.3 | L46 I62 I63 I75 Y79 I188 | L46-L59 HydrophobicContact CD1-CD1 3.67Å; L59-I62 WeakPolarHBondContact O-CB 3.44Å; L59-I62 PolarHBondContact O-N 3.09Å; L59-I63 WeakPolarHBondContact O-CG1 3.32Å; L59-I63 PolarHBondContact O-N 3.23Å; L59-I75 HydrophobicContact CD2-CG2 4.15Å; L59-Y79 HydrophobicContact CD2-CD2 4.22Å; L59-Y79 HydrophobicContact CD2-CE2 4.5Å; L59-I188 HydrophobicContact CB-CD1 4.18Å |
| 60 | S | 79.2 | Confident | 80.5 | Confident | 11 Ų | 11 | 74 Ų | 74 | 8% | 0.077 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 177.9 | 167.6 | 0 | 0 | 0 | 0 | 113 | G58 I62 I63 K64 A72 D76 | G58-S60 PolarHBondContact O-N 3.17Å; S60-I62 PolarHBondContact O-N 3.36Å; S60-I63 VanDerWaalsContact O-CG1 3.27Å; S60-I63 WeakPolarHBondContact O-CG1 3.43Å; S60-I63 PolarHBondContact O-N 3.31Å; S60-K64 VanDerWaalsContact O-CB 3.27Å; S60-K64 WeakPolarHBondContact O-CB 3.41Å; S60-K64 PolarHBondContact O-N 3.44Å; S60-A72 WeakPolarHBondContact OG-CB 3.29Å; S60-A72 PolarHBondContact OG-O 3.07Å; S60-D76 WeakPolarHBondContact CB-OD1 3.22Å; S60-D76 WeakPolarHBondContact CB-OD2 3.05Å; S60-D76 PolarHBondContact OG-OD2 2.97Å |
| 61 | G | 80.6 | Confident | 80.8 | Confident | 19 Ų | 19 | 76.3 Ų | 76.3 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.6 | -36.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q57 G58 P65 | Q57-G61 PolarHBondContact O-N 3.03Å; Q57-G61 VanDerWaalsContact O-N 3.15Å; G58-G61 PolarHBondContact O-N 3.28Å; G61-P65 WeakPolarHBondContact O-CD 3.3Å |
| 62 | I | 81.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.4 | -38 | 178.9 | -63.6 | 160.6 | 0 | 0 | 0 | 111.5 | L46 L49 V50 V56 G58 L59 S60 F66 | L46-I62 HydrophobicContact CD1-CD1 4.08Å; L46-I62 HydrophobicContact CD1-CG2 4.45Å; L49-I62 HydrophobicContact CB-CG2 3.44Å; L49-I62 VanDerWaalsContact CB-CG2 3.44Å; L49-I62 HydrophobicContact CD1-CG2 4.34Å; L49-I62 HydrophobicContact CG-CG2 4.49Å; V50-I62 HydrophobicContact CG2-CD1 3.44Å; V50-I62 VanDerWaalsContact CG2-CD1 3.44Å; V50-I62 HydrophobicContact CG2-CG1 4.15Å; V56-I62 HydrophobicContact CG1-CD1 3.87Å; V56-I62 HydrophobicContact CG1-CG1 3.77Å; V56-I62 HydrophobicContact CG2-CG1 4.37Å; G58-I62 WeakPolarHBondContact O-CG1 3.39Å; G58-I62 PolarHBondContact O-N 3.21Å; L59-I62 WeakPolarHBondContact O-CB 3.44Å; L59-I62 PolarHBondContact O-N 3.09Å; S60-I62 PolarHBondContact O-N 3.36Å; I62-F66 VanDerWaalsContact O-CD2 3.24Å; I62-F66 WeakPolarHBondContact O-CD2 3.3Å; I62-F66 VanDerWaalsContact O-CE2 3.29Å; I62-F66 WeakPolarHBondContact O-CE2 3.24Å |
| 63 | I | 84.8 | Confident | 81.3 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -94.1 | -21 | -174.3 | 60.4 | 165.4 | 0 | 0 | 0 | 114 | L59 S60 P65 F66 L67 A72 I75 | L59-I63 WeakPolarHBondContact O-CG1 3.32Å; L59-I63 PolarHBondContact O-N 3.23Å; S60-I63 VanDerWaalsContact O-CG1 3.27Å; S60-I63 WeakPolarHBondContact O-CG1 3.43Å; S60-I63 PolarHBondContact O-N 3.31Å; I63-P65 VanDerWaalsContact C-CD 3.43Å; I63-P65 VanDerWaalsContact C-N 3.31Å; I63-F66 WeakPolarHBondContact O-CA 3.24Å; I63-F66 PolarHBondContact O-N 3.44Å; I63-L67 HydrophobicContact CB-CD1 4.29Å; I63-L67 HydrophobicContact CD1-CD1 4.47Å; I63-L67 PolarHBondContact O-N 2.96Å; I63-A72 HydrophobicContact CD1-CB 4.31Å; I63-A72 HydrophobicContact CG1-CB 4.21Å; I63-I75 HydrophobicContact CD1-CB 3.66Å; I63-I75 HydrophobicContact CD1-CD1 3.22Å; I63-I75 HydrophobicContact CD1-CG1 3.95Å; I63-I75 HydrophobicContact CD1-CG2 3.68Å |
| 64 | K | 86.8 | Confident | 82 | Confident | 86 Ų | 86 | 76 Ų | 76 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -52.2 | -41.7 | -177.1 | -177.6 | 171.4 | -174.9 | 165.4 | 0 | 112.9 | S60 F66 G68 E69 A72 | S60-K64 VanDerWaalsContact O-CB 3.27Å; S60-K64 WeakPolarHBondContact O-CB 3.41Å; S60-K64 PolarHBondContact O-N 3.44Å; K64-F66 VanDerWaalsContact C-N 3.25Å; K64-F66 PolarHBondContact O-N 3.38Å; K64-G68 WeakPolarHBondContact O-CA 3.46Å; K64-G68 PolarHBondContact O-N 3.31Å; K64-E69 WeakPolarHBondContact CE-OE1 3.49Å; K64-E69 IonicContact NZ-OE1 2.72Å; K64-E69 PolarHBondContact NZ-OE1 2.99Å; K64-A72 HydrophobicContact CB-CB 3.78Å; K64-A72 HydrophobicContact CG-CB 4.21Å |
| 65 | P | 85.7 | Confident | 82.9 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 65% | 0.649 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.7 | -26 | 175.4 | -22.9 | 35.3 | 0 | 0 | 0 | 114.3 | G61 I63 | G61-P65 WeakPolarHBondContact O-CD 3.3Å; I63-P65 VanDerWaalsContact C-CD 3.43Å; I63-P65 VanDerWaalsContact C-N 3.31Å |
| 66 | F | 86.9 | Confident | 84 | Confident | 107 Ų | 107 | 67.7 Ų | 67.7 | 47% | 0.469 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -97.9 | -33.7 | -173.1 | -57.9 | -80.9 | 0 | 0 | 0 | 113.5 | L49 I62 I63 K64 | L49-F66 HydrophobicContact CD2-CD2 4.17Å; L49-F66 HydrophobicContact CD2-CE1 4.29Å; L49-F66 HydrophobicContact CD2-CE2 3.74Å; L49-F66 HydrophobicContact CD2-CZ 3.81Å; I62-F66 VanDerWaalsContact O-CD2 3.24Å; I62-F66 WeakPolarHBondContact O-CD2 3.3Å; I62-F66 VanDerWaalsContact O-CE2 3.29Å; I62-F66 WeakPolarHBondContact O-CE2 3.24Å; I63-F66 WeakPolarHBondContact O-CA 3.24Å; I63-F66 PolarHBondContact O-N 3.44Å; K64-F66 VanDerWaalsContact C-N 3.25Å; K64-F66 PolarHBondContact O-N 3.38Å |
| 67 | L | 89.8 | Confident | 85.2 | Confident | 94 Ų | 94 | 74.5 Ų | 74.5 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -117.3 | -3.3 | -172.8 | -61.3 | 179.3 | 0 | 0 | 0 | 113.9 | I63 T71 I75 | I63-L67 HydrophobicContact CB-CD1 4.29Å; I63-L67 HydrophobicContact CD1-CD1 4.47Å; I63-L67 PolarHBondContact O-N 2.96Å; L67-T71 HydrophobicContact CB-CG2 3.7Å; L67-T71 HydrophobicContact CD1-CG2 3.86Å; L67-T71 HydrophobicContact CG-CG2 4.36Å; L67-T71 VanDerWaalsContact O-CB 3.31Å; L67-T71 WeakPolarHBondContact O-CB 3.41Å; L67-T71 PolarHBondContact O-OG1 3.3Å; L67-I75 HydrophobicContact CD1-CD1 4.3Å |
| 68 | G | 90.6 | Very high | 86.3 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | trans | 78.8 | 166.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K64 R70 T71 A72 | K64-G68 WeakPolarHBondContact O-CA 3.46Å; K64-G68 PolarHBondContact O-N 3.31Å; G68-R70 PolarHBondContact O-N 3.23Å; G68-T71 PolarHBondContact O-N 3.47Å; G68-A72 PolarHBondContact O-N 3.25Å; G68-A72 VanDerWaalsContact O-N 3.14Å | ||
| 69 | E | 89.3 | Confident | 86.9 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | -172 | -174.5 | 159.2 | -131.2 | 0 | 0 | 113.5 | K64 T71 A72 D73 | K64-E69 WeakPolarHBondContact CE-OE1 3.49Å; K64-E69 IonicContact NZ-OE1 2.72Å; K64-E69 PolarHBondContact NZ-OE1 2.99Å; E69-T71 VanDerWaalsContact C-N 3.28Å; E69-T71 PolarHBondContact O-N 3.49Å; E69-A72 WeakPolarHBondContact O-CB 3.43Å; E69-A72 PolarHBondContact O-N 3.28Å; E69-A72 VanDerWaalsContact O-N 3.11Å; E69-D73 VanDerWaalsContact O-CG 3.27Å; E69-D73 PolarHBondContact O-N 2.88Å |
| 70 | R | 91.9 | Very high | 87.6 | Confident | 224 Ų | 224 | 78.4 Ų | 78.4 | 85% | 0.845 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.5 | -37.8 | -179.2 | -65.1 | -177 | -179.5 | 171.3 | 0.4 | 113.1 | G68 F74 | G68-R70 PolarHBondContact O-N 3.23Å; R70-F74 WeakPolarHBondContact O-CB 3.33Å; R70-F74 PolarHBondContact O-N 3.33Å; R70-F74 VanDerWaalsContact O-N 3.07Å |
| 71 | T | 91.1 | Very high | 88.2 | Confident | 55 Ų | 55 | 80.3 Ų | 80.3 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72.7 | -37.6 | 179.1 | -47.5 | 0 | 0 | 0 | 0 | 110.8 | L67 G68 E69 F74 I75 | L67-T71 HydrophobicContact CB-CG2 3.7Å; L67-T71 HydrophobicContact CD1-CG2 3.86Å; L67-T71 HydrophobicContact CG-CG2 4.36Å; L67-T71 VanDerWaalsContact O-CB 3.31Å; L67-T71 WeakPolarHBondContact O-CB 3.41Å; L67-T71 PolarHBondContact O-OG1 3.3Å; G68-T71 PolarHBondContact O-N 3.47Å; E69-T71 VanDerWaalsContact C-N 3.28Å; E69-T71 PolarHBondContact O-N 3.49Å; T71-F74 PolarHBondContact O-N 2.93Å; T71-I75 HydrophobicContact CG2-CD1 4.1Å; T71-I75 WeakPolarHBondContact O-CB 3.45Å; T71-I75 WeakPolarHBondContact O-CG1 3.48Å; T71-I75 PolarHBondContact O-N 3Å |
| 72 | A | 89 | Confident | 88.5 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S60 I63 K64 G68 E69 F74 I75 D76 | S60-A72 WeakPolarHBondContact OG-CB 3.29Å; S60-A72 PolarHBondContact OG-O 3.07Å; I63-A72 HydrophobicContact CD1-CB 4.31Å; I63-A72 HydrophobicContact CG1-CB 4.21Å; K64-A72 HydrophobicContact CB-CB 3.78Å; K64-A72 HydrophobicContact CG-CB 4.21Å; G68-A72 PolarHBondContact O-N 3.25Å; G68-A72 VanDerWaalsContact O-N 3.14Å; E69-A72 WeakPolarHBondContact O-CB 3.43Å; E69-A72 PolarHBondContact O-N 3.28Å; E69-A72 VanDerWaalsContact O-N 3.11Å; A72-F74 VanDerWaalsContact C-N 3.33Å; A72-F74 PolarHBondContact O-N 3.44Å; A72-I75 PolarHBondContact O-N 3.26Å; A72-I75 VanDerWaalsContact O-N 3.13Å; A72-D76 PolarHBondContact O-N 2.91Å |
| 73 | D | 88.2 | Confident | 88.7 | Confident | 78 Ų | 78 | 86 Ų | 86 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 175.8 | -63.3 | -22.5 | 0 | 0 | 0 | 111.8 | E69 I75 D76 W77 | E69-D73 VanDerWaalsContact O-CG 3.27Å; E69-D73 PolarHBondContact O-N 2.88Å; D73-I75 VanDerWaalsContact C-N 3.34Å; D73-I75 PolarHBondContact O-N 3.17Å; D73-D76 PolarHBondContact O-N 3.16Å; D73-W77 VanDerWaalsContact O-CD1 3.27Å; D73-W77 PolarHBondContact O-N 3.32Å; D73-W77 VanDerWaalsContact O-N 3.13Å |
| 74 | F | 92.3 | Very high | 88.8 | Confident | 134 Ų | 134 | 89.1 Ų | 89.1 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 176.1 | 176.5 | -103.1 | 0 | 0 | 0 | 112.1 | R70 T71 A72 W77 L78 | R70-F74 WeakPolarHBondContact O-CB 3.33Å; R70-F74 PolarHBondContact O-N 3.33Å; R70-F74 VanDerWaalsContact O-N 3.07Å; T71-F74 PolarHBondContact O-N 2.93Å; A72-F74 VanDerWaalsContact C-N 3.33Å; A72-F74 PolarHBondContact O-N 3.44Å; F74-W77 PolarHBondContact O-N 2.9Å; F74-L78 WeakPolarHBondContact O-CB 3.29Å; F74-L78 PolarHBondContact O-N 3.38Å |
| 75 | I | 89.1 | Confident | 88.9 | Confident | 41 Ų | 41 | 89.5 Ų | 89.5 | 21% | 0.21 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68 | -35.6 | 178.2 | -77.1 | 173.1 | 0 | 0 | 0 | 111.4 | L59 I63 L67 T71 A72 D73 L78 Y79 | L59-I75 HydrophobicContact CD2-CG2 4.15Å; I63-I75 HydrophobicContact CD1-CB 3.66Å; I63-I75 HydrophobicContact CD1-CD1 3.22Å; I63-I75 HydrophobicContact CD1-CG1 3.95Å; I63-I75 HydrophobicContact CD1-CG2 3.68Å; L67-I75 HydrophobicContact CD1-CD1 4.3Å; T71-I75 HydrophobicContact CG2-CD1 4.1Å; T71-I75 WeakPolarHBondContact O-CB 3.45Å; T71-I75 WeakPolarHBondContact O-CG1 3.48Å; T71-I75 PolarHBondContact O-N 3Å; A72-I75 PolarHBondContact O-N 3.26Å; A72-I75 VanDerWaalsContact O-N 3.13Å; D73-I75 VanDerWaalsContact C-N 3.34Å; D73-I75 PolarHBondContact O-N 3.17Å; I75-L78 PolarHBondContact O-N 2.96Å; I75-Y79 VanDerWaalsContact O-CB 3.24Å; I75-Y79 WeakPolarHBondContact O-CB 3.37Å; I75-Y79 PolarHBondContact O-N 2.7Å |
| 76 | D | 87.8 | Confident | 88.8 | Confident | 70 Ų | 70 | 85.7 Ų | 85.7 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 171.8 | -81.2 | -29.6 | 0 | 0 | 0 | 111.8 | S60 A72 D73 L78 Y79 W80 | S60-D76 WeakPolarHBondContact CB-OD1 3.22Å; S60-D76 WeakPolarHBondContact CB-OD2 3.05Å; S60-D76 PolarHBondContact OG-OD2 2.97Å; A72-D76 PolarHBondContact O-N 2.91Å; D73-D76 PolarHBondContact O-N 3.16Å; D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 3.06Å; D76-Y79 PolarHBondContact O-N 3.39Å; D76-W80 WeakPolarHBondContact O-CB 3.31Å; D76-W80 PolarHBondContact O-N 3.31Å |
| 77 | W | 91.8 | Very high | 88.6 | Confident | 173 Ų | 173 | 85.3 Ų | 85.3 | 66% | 0.655 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 176 | -83.5 | 108.4 | 0 | 0 | 0 | 112.4 | D73 F74 W80 S81 | D73-W77 VanDerWaalsContact O-CD1 3.27Å; D73-W77 PolarHBondContact O-N 3.32Å; D73-W77 VanDerWaalsContact O-N 3.13Å; F74-W77 PolarHBondContact O-N 2.9Å; W77-W80 AromaticContact CE3-CE3 3.98Å; W77-W80 HydrophobicContact CE3-CE3 3.98Å; W77-W80 HydrophobicContact CE3-CZ3 4.37Å; W77-W80 AromaticContact CZ3-CE3 3.97Å; W77-W80 HydrophobicContact CZ3-CE3 3.97Å; W77-W80 HydrophobicContact CZ3-CZ3 4.04Å; W77-S81 VanDerWaalsContact O-CB 3.29Å; W77-S81 WeakPolarHBondContact O-CB 3.38Å; W77-S81 PolarHBondContact O-N 2.92Å; W77-S81 PolarHBondContact O-OG 3.43Å |
| 78 | L | 90.7 | Very high | 88.4 | Confident | 100 Ų | 100 | 85.7 Ų | 85.7 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.2 | -177.1 | 63.9 | 0 | 0 | 0 | 111.3 | F74 I75 D76 S81 L82 | F74-L78 WeakPolarHBondContact O-CB 3.29Å; F74-L78 PolarHBondContact O-N 3.38Å; I75-L78 PolarHBondContact O-N 2.96Å; D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 3.06Å; L78-S81 PolarHBondContact O-N 3.37Å; L78-L82 WeakPolarHBondContact O-CB 3.42Å; L78-L82 PolarHBondContact O-N 3.5Å |
| 79 | Y | 86.1 | Confident | 88 | Confident | 45 Ų | 45 | 85.8 Ų | 85.8 | 18% | 0.176 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 179.3 | -167.3 | -109.5 | 0 | 0 | 0 | 111.2 | L59 I75 D76 S81 L82 W83 E184 L185 | L59-Y79 HydrophobicContact CD2-CD2 4.22Å; L59-Y79 HydrophobicContact CD2-CE2 4.5Å; I75-Y79 VanDerWaalsContact O-CB 3.24Å; I75-Y79 WeakPolarHBondContact O-CB 3.37Å; I75-Y79 PolarHBondContact O-N 2.7Å; D76-Y79 PolarHBondContact O-N 3.39Å; Y79-S81 VanDerWaalsContact C-N 3.33Å; Y79-S81 PolarHBondContact O-N 2.95Å; Y79-L82 WeakPolarHBondContact O-CB 3.43Å; Y79-L82 PolarHBondContact O-N 3.44Å; Y79-W83 AromaticContact CD1-CD1 3.76Å; Y79-W83 AromaticContact CD1-NE1 3.98Å; Y79-W83 AromaticContact CE1-CD1 3.51Å; Y79-W83 AromaticContact CE1-NE1 3.29Å; Y79-W83 VanDerWaalsContact CE1-NE1 3.29Å; Y79-W83 AromaticContact CE2-NE1 3.44Å; Y79-W83 AromaticContact CZ-CD1 3.66Å; Y79-W83 AromaticContact CZ-NE1 2.99Å; Y79-W83 PolarHBondContact O-N 3.14Å; Y79-W83 PolarHBondContact OH-NE1 2.8Å; Y79-E184 HydrophobicContact CE2-CG 4.47Å; Y79-E184 PolarHBondContact OH-OE1 3.33Å; Y79-L185 HydrophobicContact CE1-CD2 4.47Å; Y79-L185 WeakPolarHBondContact OH-CD2 3.45Å; Y79-L185 WeakPolarHBondContact OH-CG 3.46Å |
| 80 | W | 87.2 | Confident | 87.6 | Confident | 143 Ų | 143 | 83.3 Ų | 83.3 | 54% | 0.542 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.1 | 177.7 | 83 | 0 | 0 | 0 | 111.9 | D76 W77 W83 M84 | D76-W80 WeakPolarHBondContact O-CB 3.31Å; D76-W80 PolarHBondContact O-N 3.31Å; W77-W80 AromaticContact CE3-CE3 3.98Å; W77-W80 HydrophobicContact CE3-CE3 3.98Å; W77-W80 HydrophobicContact CE3-CZ3 4.37Å; W77-W80 AromaticContact CZ3-CE3 3.97Å; W77-W80 HydrophobicContact CZ3-CE3 3.97Å; W77-W80 HydrophobicContact CZ3-CZ3 4.04Å; W80-W83 PolarHBondContact O-N 3.11Å; W80-M84 HydrophobicContact CD2-CG 4.09Å; W80-M84 HydrophobicContact CE3-CG 4.33Å; W80-M84 HydrophobicContact CH2-CG 4Å; W80-M84 HydrophobicContact CZ2-CG 3.72Å; W80-M84 HydrophobicContact CZ2-SD 4.04Å; W80-M84 HydrophobicContact CZ3-CG 4.29Å; W80-M84 WeakPolarHBondContact O-CG 3.4Å; W80-M84 PolarHBondContact O-N 2.79Å |
| 81 | S | 91.3 | Very high | 87.2 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | W77 L78 Y79 W83 M84 V85 | W77-S81 VanDerWaalsContact O-CB 3.29Å; W77-S81 WeakPolarHBondContact O-CB 3.38Å; W77-S81 PolarHBondContact O-N 2.92Å; W77-S81 PolarHBondContact O-OG 3.43Å; L78-S81 PolarHBondContact O-N 3.37Å; Y79-S81 VanDerWaalsContact C-N 3.33Å; Y79-S81 PolarHBondContact O-N 2.95Å; S81-W83 VanDerWaalsContact C-N 3.31Å; S81-W83 PolarHBondContact O-N 3.37Å; S81-M84 PolarHBondContact O-N 3.07Å; S81-V85 WeakPolarHBondContact O-CG2 3.39Å; S81-V85 PolarHBondContact O-N 2.9Å |
| 82 | L | 87.6 | Confident | 87 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 174.6 | 175.7 | 68.1 | 0 | 0 | 0 | 110.9 | L78 Y79 V85 N86 | L78-L82 WeakPolarHBondContact O-CB 3.42Å; L78-L82 PolarHBondContact O-N 3.5Å; Y79-L82 WeakPolarHBondContact O-CB 3.43Å; Y79-L82 PolarHBondContact O-N 3.44Å; L82-V85 PolarHBondContact O-N 3.38Å; L82-N86 WeakPolarHBondContact O-CB 3.47Å; L82-N86 PolarHBondContact O-N 3.16Å |
| 83 | W | 84.8 | Confident | 86.5 | Confident | 49 Ų | 49 | 73.7 Ų | 73.7 | 19% | 0.186 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67 | -38.2 | 178.8 | -82.8 | 106.7 | 0 | 0 | 0 | 113.4 | Y79 W80 S81 N86 I87 L185 | Y79-W83 AromaticContact CD1-CD1 3.76Å; Y79-W83 AromaticContact CD1-NE1 3.98Å; Y79-W83 AromaticContact CE1-CD1 3.51Å; Y79-W83 AromaticContact CE1-NE1 3.29Å; Y79-W83 VanDerWaalsContact CE1-NE1 3.29Å; Y79-W83 AromaticContact CE2-NE1 3.44Å; Y79-W83 AromaticContact CZ-CD1 3.66Å; Y79-W83 AromaticContact CZ-NE1 2.99Å; Y79-W83 PolarHBondContact O-N 3.14Å; Y79-W83 PolarHBondContact OH-NE1 2.8Å; W80-W83 PolarHBondContact O-N 3.11Å; S81-W83 VanDerWaalsContact C-N 3.31Å; S81-W83 PolarHBondContact O-N 3.37Å; W83-N86 HydrophobicContact CE3-CB 4.39Å; W83-N86 PolarHBondContact O-N 3.49Å; W83-I87 VanDerWaalsContact O-CG1 3.3Å; W83-I87 WeakPolarHBondContact O-CG1 3.37Å; W83-I87 PolarHBondContact O-N 3.44Å; W83-L185 HydrophobicContact CH2-CD1 3.38Å; W83-L185 HydrophobicContact CH2-CG 4.29Å; W83-L185 HydrophobicContact CZ2-CD1 3.21Å; W83-L185 HydrophobicContact CZ2-CD2 4.36Å; W83-L185 HydrophobicContact CZ2-CG 3.66Å; W83-L185 HydrophobicContact CZ3-CD1 4.33Å |
| 84 | M | 87.8 | Confident | 86 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 41% | 0.414 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 173.6 | -75.9 | -63.1 | -61 | 0 | 0 | 111.7 | W80 S81 N86 I87 I88 | W80-M84 HydrophobicContact CD2-CG 4.09Å; W80-M84 HydrophobicContact CE3-CG 4.33Å; W80-M84 HydrophobicContact CH2-CG 4Å; W80-M84 HydrophobicContact CZ2-CG 3.72Å; W80-M84 HydrophobicContact CZ2-SD 4.04Å; W80-M84 HydrophobicContact CZ3-CG 4.29Å; W80-M84 WeakPolarHBondContact O-CG 3.4Å; W80-M84 PolarHBondContact O-N 2.79Å; S81-M84 PolarHBondContact O-N 3.07Å; M84-N86 VanDerWaalsContact C-N 3.33Å; M84-N86 PolarHBondContact O-N 3.07Å; M84-I87 PolarHBondContact O-N 3.22Å; M84-I88 WeakPolarHBondContact O-CG1 3.24Å; M84-I88 PolarHBondContact O-N 2.88Å |
| 85 | V | 88.1 | Confident | 85.6 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | S81 L82 I88 A89 | S81-V85 WeakPolarHBondContact O-CG2 3.39Å; S81-V85 PolarHBondContact O-N 2.9Å; L82-V85 PolarHBondContact O-N 3.38Å; V85-I88 PolarHBondContact O-N 2.85Å; V85-A89 WeakPolarHBondContact O-CB 3.33Å; V85-A89 PolarHBondContact O-N 2.95Å |
| 86 | N | 83.4 | Confident | 85.2 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 179.1 | -171.5 | 64.3 | 0 | 0 | 0 | 112.3 | L82 W83 M84 I88 A89 E90 Y178 | L82-N86 WeakPolarHBondContact O-CB 3.47Å; L82-N86 PolarHBondContact O-N 3.16Å; W83-N86 HydrophobicContact CE3-CB 4.39Å; W83-N86 PolarHBondContact O-N 3.49Å; M84-N86 VanDerWaalsContact C-N 3.33Å; M84-N86 PolarHBondContact O-N 3.07Å; N86-I88 VanDerWaalsContact C-N 3.3Å; N86-I88 PolarHBondContact O-N 3.23Å; N86-A89 PolarHBondContact O-N 3.18Å; N86-A89 VanDerWaalsContact O-N 3.16Å; N86-E90 PolarHBondContact ND2-OE1 3.09Å; N86-E90 WeakPolarHBondContact O-CG 3.37Å; N86-E90 PolarHBondContact O-N 2.65Å; N86-Y178 WeakPolarHBondContact OD1-CE2 3.43Å; N86-Y178 VanDerWaalsContact OD1-CZ 3.31Å; N86-Y178 PolarHBondContact OD1-OH 3.24Å |
| 87 | I | 82.1 | Confident | 84.6 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 178.2 | -68.7 | 165.2 | 0 | 0 | 0 | 110.8 | W83 M84 E90 A91 | W83-I87 VanDerWaalsContact O-CG1 3.3Å; W83-I87 WeakPolarHBondContact O-CG1 3.37Å; W83-I87 PolarHBondContact O-N 3.44Å; M84-I87 PolarHBondContact O-N 3.22Å; I87-E90 PolarHBondContact O-N 3.07Å; I87-A91 WeakPolarHBondContact O-CB 3.49Å; I87-A91 PolarHBondContact O-N 3.1Å |
| 88 | I | 85.8 | Confident | 84.1 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 52% | 0.523 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.8 | -65.6 | 166.4 | 0 | 0 | 0 | 110.5 | M84 V85 N86 E90 A91 V92 | M84-I88 WeakPolarHBondContact O-CG1 3.24Å; M84-I88 PolarHBondContact O-N 2.88Å; V85-I88 PolarHBondContact O-N 2.85Å; N86-I88 VanDerWaalsContact C-N 3.3Å; N86-I88 PolarHBondContact O-N 3.23Å; I88-E90 VanDerWaalsContact C-N 3.34Å; I88-E90 PolarHBondContact O-N 3.47Å; I88-A91 PolarHBondContact O-N 2.75Å; I88-V92 HydrophobicContact CG2-CG2 4.37Å; I88-V92 VanDerWaalsContact O-CG2 3.28Å; I88-V92 WeakPolarHBondContact O-CG2 3.08Å; I88-V92 PolarHBondContact O-N 3.31Å |
| 89 | A | 83.2 | Confident | 83.7 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V85 N86 V92 A93 Y178 | V85-A89 WeakPolarHBondContact O-CB 3.33Å; V85-A89 PolarHBondContact O-N 2.95Å; N86-A89 PolarHBondContact O-N 3.18Å; N86-A89 VanDerWaalsContact O-N 3.16Å; A89-V92 PolarHBondContact O-N 3.3Å; A89-A93 WeakPolarHBondContact O-CB 3.39Å; A89-A93 PolarHBondContact O-N 3.1Å; A89-Y178 VanDerWaalsContact CB-OH 3.26Å; A89-Y178 WeakPolarHBondContact CB-OH 3.38Å |
| 90 | E | 80.4 | Confident | 83.3 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 174.9 | -74.2 | -175.1 | -168.3 | 0 | 0 | 112.1 | A11 N86 I87 I88 V92 A93 A94 | A11-E90 HydrophobicContact CB-CB 4.3Å; A11-E90 HydrophobicContact CB-CG 4.07Å; N86-E90 PolarHBondContact ND2-OE1 3.09Å; N86-E90 WeakPolarHBondContact O-CG 3.37Å; N86-E90 PolarHBondContact O-N 2.65Å; I87-E90 PolarHBondContact O-N 3.07Å; I88-E90 VanDerWaalsContact C-N 3.34Å; I88-E90 PolarHBondContact O-N 3.47Å; E90-V92 PolarHBondContact O-N 2.84Å; E90-A93 PolarHBondContact O-N 3.17Å; E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.19Å |
| 91 | A | 84.4 | Confident | 83.1 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I87 I88 A94 A95 V111 | I87-A91 WeakPolarHBondContact O-CB 3.49Å; I87-A91 PolarHBondContact O-N 3.1Å; I88-A91 PolarHBondContact O-N 2.75Å; A91-A94 PolarHBondContact O-N 3.18Å; A91-A95 VanDerWaalsContact O-CB 3.28Å; A91-A95 WeakPolarHBondContact O-CB 3.41Å; A91-A95 PolarHBondContact O-N 3.4Å; A91-V111 HydrophobicContact CB-CG1 3.99Å; A91-V111 HydrophobicContact CB-CG2 4.5Å |
| 92 | V | 85.3 | Confident | 82.9 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | I88 A89 E90 A95 S96 V111 | I88-V92 HydrophobicContact CG2-CG2 4.37Å; I88-V92 VanDerWaalsContact O-CG2 3.28Å; I88-V92 WeakPolarHBondContact O-CG2 3.08Å; I88-V92 PolarHBondContact O-N 3.31Å; A89-V92 PolarHBondContact O-N 3.3Å; E90-V92 PolarHBondContact O-N 2.84Å; V92-A95 PolarHBondContact O-N 3.19Å; V92-S96 PolarHBondContact O-N 2.62Å; V92-V111 HydrophobicContact CG2-CG2 4.25Å |
| 93 | A | 79.1 | Confident | 82.8 | Confident | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A11 K15 A89 E90 A95 S96 F97 | A11-A93 HydrophobicContact CB-CB 3.43Å; A11-A93 VanDerWaalsContact CB-CB 3.43Å; K15-A93 HydrophobicContact CB-CB 4.2Å; K15-A93 HydrophobicContact CD-CB 3.8Å; A89-A93 WeakPolarHBondContact O-CB 3.39Å; A89-A93 PolarHBondContact O-N 3.1Å; E90-A93 PolarHBondContact O-N 3.17Å; A93-A95 VanDerWaalsContact C-N 3.35Å; A93-A95 PolarHBondContact O-N 3.12Å; A93-S96 WeakPolarHBondContact O-CB 3.49Å; A93-S96 PolarHBondContact O-N 3.4Å; A93-S96 VanDerWaalsContact O-N 3.12Å; A93-S96 PolarHBondContact O-OG 3.02Å; A93-F97 WeakPolarHBondContact O-CD2 3.35Å; A93-F97 PolarHBondContact O-N 3.24Å |
| 94 | A | 78.1 | Confident | 83.1 | Confident | 32 Ų | 32 | 66.1 Ų | 66.1 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | E90 A91 S96 F97 M98 L114 | E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.19Å; A91-A94 PolarHBondContact O-N 3.18Å; A94-S96 VanDerWaalsContact C-N 3.3Å; A94-S96 PolarHBondContact O-N 3.15Å; A94-F97 WeakPolarHBondContact O-CB 3.4Å; A94-F97 PolarHBondContact O-N 3.16Å; A94-F97 VanDerWaalsContact O-N 3.16Å; A94-M98 PolarHBondContact O-N 3.45Å; A94-M98 VanDerWaalsContact O-N 3.15Å; A94-L114 HydrophobicContact CB-CD1 3.42Å; A94-L114 VanDerWaalsContact CB-CD1 3.42Å |
| 95 | A | 84.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A91 V92 A93 F97 M98 Q99 S107 F110 V111 | A91-A95 VanDerWaalsContact O-CB 3.28Å; A91-A95 WeakPolarHBondContact O-CB 3.41Å; A91-A95 PolarHBondContact O-N 3.4Å; V92-A95 PolarHBondContact O-N 3.19Å; A93-A95 VanDerWaalsContact C-N 3.35Å; A93-A95 PolarHBondContact O-N 3.12Å; A95-F97 VanDerWaalsContact C-N 3.27Å; A95-F97 PolarHBondContact O-N 3.12Å; A95-M98 PolarHBondContact O-N 2.88Å; A95-Q99 WeakPolarHBondContact O-CG 3.41Å; A95-Q99 PolarHBondContact O-N 3.33Å; A95-S107 WeakPolarHBondContact CB-OG 3.45Å; A95-F110 HydrophobicContact CB-CB 3.63Å; A95-V111 HydrophobicContact CB-CG2 3.65Å |
| 96 | S | 79.9 | Confident | 83.3 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 16% | 0.161 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -31.9 | 176.7 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | V92 A93 A94 | V92-S96 PolarHBondContact O-N 2.62Å; A93-S96 WeakPolarHBondContact O-CB 3.49Å; A93-S96 PolarHBondContact O-N 3.4Å; A93-S96 VanDerWaalsContact O-N 3.12Å; A93-S96 PolarHBondContact O-OG 3.02Å; A94-S96 VanDerWaalsContact C-N 3.3Å; A94-S96 PolarHBondContact O-N 3.15Å |
| 97 | F | 75.9 | Confident | 83.4 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.8 | -44.8 | 171.5 | -63.4 | -50.1 | 0 | 0 | 0 | 111.5 | F14 A93 A94 A95 Q99 L100 W101 V240 | F14-F97 HydrophobicContact CB-CE2 4.21Å; F14-F97 HydrophobicContact CB-CZ 3.73Å; A93-F97 WeakPolarHBondContact O-CD2 3.35Å; A93-F97 PolarHBondContact O-N 3.24Å; A94-F97 WeakPolarHBondContact O-CB 3.4Å; A94-F97 PolarHBondContact O-N 3.16Å; A94-F97 VanDerWaalsContact O-N 3.16Å; A95-F97 VanDerWaalsContact C-N 3.27Å; A95-F97 PolarHBondContact O-N 3.12Å; F97-Q99 PolarHBondContact O-N 3.45Å; F97-L100 HydrophobicContact CD1-CD1 4.24Å; F97-L100 VanDerWaalsContact O-CB 3.23Å; F97-L100 WeakPolarHBondContact O-CB 3.44Å; F97-L100 WeakPolarHBondContact O-CG 3.43Å; F97-L100 PolarHBondContact O-N 2.81Å; F97-W101 HydrophobicContact CB-CZ3 4.37Å; F97-W101 WeakPolarHBondContact O-CZ3 3.35Å; F97-V240 HydrophobicContact CD1-CG2 3.83Å; F97-V240 HydrophobicContact CE1-CB 4.37Å; F97-V240 HydrophobicContact CE1-CG2 3.62Å; F97-V240 HydrophobicContact CZ-CG2 4.32Å |
| 98 | M | 80.8 | Confident | 83.8 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 34% | 0.335 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.7 | -33.9 | 178.3 | -66.6 | -60.2 | -68.1 | 0 | 0 | 112.5 | A94 A95 L100 W101 F102 F110 | A94-M98 PolarHBondContact O-N 3.45Å; A94-M98 VanDerWaalsContact O-N 3.15Å; A95-M98 PolarHBondContact O-N 2.88Å; M98-L100 PolarHBondContact O-N 2.9Å; M98-W101 PolarHBondContact O-N 2.86Å; M98-F102 HydrophobicContact CE-CD2 4.27Å; M98-F102 HydrophobicContact CE-CE2 4.14Å; M98-F102 PolarHBondContact O-N 3.13Å; M98-F110 HydrophobicContact CB-CB 4.38Å; M98-F110 HydrophobicContact CB-CD1 3.66Å; M98-F110 HydrophobicContact CB-CD2 3.71Å; M98-F110 HydrophobicContact CB-CE1 3.79Å; M98-F110 HydrophobicContact CB-CE2 3.81Å; M98-F110 HydrophobicContact CB-CG 3.64Å; M98-F110 HydrophobicContact CB-CZ 3.88Å; M98-F110 HydrophobicContact CE-CD1 4.22Å; M98-F110 HydrophobicContact CE-CE1 3.93Å; M98-F110 HydrophobicContact CG-CD1 3.97Å; M98-F110 HydrophobicContact CG-CE1 4.36Å; M98-F110 HydrophobicContact CG-CG 4.19Å |
| 99 | Q | 82.5 | Confident | 84.1 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.1 | -15.4 | 175.8 | -72.3 | -171.6 | -37.4 | 0 | 0 | 114.3 | A95 F97 W101 F102 P103 V105 F110 | A95-Q99 WeakPolarHBondContact O-CG 3.41Å; A95-Q99 PolarHBondContact O-N 3.33Å; F97-Q99 PolarHBondContact O-N 3.45Å; Q99-W101 VanDerWaalsContact C-N 3.29Å; Q99-W101 PolarHBondContact O-N 3.08Å; Q99-F102 CarbonylContact O-C 3.57Å; Q99-P103 VanDerWaalsContact O-CA 3.28Å; Q99-P103 WeakPolarHBondContact O-CA 3.28Å; Q99-V105 PolarHBondContact NE2-O 3.5Å; Q99-F110 HydrophobicContact CG-CD2 4.05Å; Q99-F110 HydrophobicContact CG-CE2 3.99Å |
| 100 | L | 77.9 | Confident | 84.5 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 36% | 0.356 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.1 | -32 | 172.9 | -59.6 | 174.5 | 0 | 0 | 0 | 112.1 | F97 M98 A236 V240 F244 | F97-L100 HydrophobicContact CD1-CD1 4.24Å; F97-L100 VanDerWaalsContact O-CB 3.23Å; F97-L100 WeakPolarHBondContact O-CB 3.44Å; F97-L100 WeakPolarHBondContact O-CG 3.43Å; F97-L100 PolarHBondContact O-N 2.81Å; M98-L100 PolarHBondContact O-N 2.9Å; L100-A236 HydrophobicContact CD1-CB 4.03Å; L100-A236 HydrophobicContact CD2-CB 4.13Å; L100-V240 HydrophobicContact CD1-CG1 3.7Å; L100-F244 HydrophobicContact CB-CZ 4.49Å; L100-F244 HydrophobicContact CD1-CE2 4.11Å |
| 101 | W | 82.1 | Confident | 84.8 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -97.4 | -28.7 | 176.5 | -63.2 | -84.1 | 0 | 0 | 0 | 112.9 | F97 M98 Q99 P103 | F97-W101 HydrophobicContact CB-CZ3 4.37Å; F97-W101 WeakPolarHBondContact O-CZ3 3.35Å; M98-W101 PolarHBondContact O-N 2.86Å; Q99-W101 VanDerWaalsContact C-N 3.29Å; Q99-W101 PolarHBondContact O-N 3.08Å; W101-P103 VanDerWaalsContact C-CD 3.43Å; W101-P103 WeakPolarHBondContact O-CD 3.28Å |
| 102 | F | 88.2 | Confident | 85.1 | Confident | 109 Ų | 109 | 65 Ų | 65 | 48% | 0.478 | 33% | 0.33 | S | S | . | . | trans | -125.5 | 66.3 | -176.8 | -57.6 | -74.4 | 0 | 0 | 0 | 111.2 | M98 Q99 H104 V105 F110 | M98-F102 HydrophobicContact CE-CD2 4.27Å; M98-F102 HydrophobicContact CE-CE2 4.14Å; M98-F102 PolarHBondContact O-N 3.13Å; Q99-F102 CarbonylContact O-C 3.57Å; F102-H104 PolarHBondContact O-N 3.07Å; F102-H104 VanDerWaalsContact O-N 3.13Å; F102-V105 HydrophobicContact CB-CB 4.29Å; F102-V105 HydrophobicContact CB-CG2 4.01Å; F102-V105 PolarHBondContact O-N 2.95Å; F102-V105 VanDerWaalsContact O-N 3.08Å; F102-F110 HydrophobicContact CB-CE2 4.2Å; F102-F110 HydrophobicContact CB-CZ 3.63Å; F102-F110 HydrophobicContact CD2-CE1 4.4Å; F102-F110 HydrophobicContact CD2-CZ 4.01Å; F102-F110 HydrophobicContact CG-CZ 4.11Å | ||
| 103 | P | 86 | Confident | 85.3 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.7 | -172.5 | 25.3 | -35.2 | 0 | 0 | 0 | 113.5 | Q99 W101 V105 | Q99-P103 VanDerWaalsContact O-CA 3.28Å; Q99-P103 WeakPolarHBondContact O-CA 3.28Å; W101-P103 VanDerWaalsContact C-CD 3.43Å; W101-P103 WeakPolarHBondContact O-CD 3.28Å; P103-V105 VanDerWaalsContact C-N 3.35Å |
| 104 | H | 90 | Very high | 85.6 | Confident | 179 Ų | 179 | 68.2 Ų | 68.2 | 83% | 0.829 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.8 | 179.6 | -56 | -57.3 | 0 | 0 | 0 | 113.8 | F102 | F102-H104 PolarHBondContact O-N 3.07Å; F102-H104 VanDerWaalsContact O-N 3.13Å |
| 105 | V | 89.8 | Confident | 85.9 | Confident | 46 Ų | 46 | 69 Ų | 69 | 28% | 0.279 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -89.9 | 124.5 | -179.7 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | Q99 F102 P103 V109 F110 | Q99-V105 PolarHBondContact NE2-O 3.5Å; F102-V105 HydrophobicContact CB-CB 4.29Å; F102-V105 HydrophobicContact CB-CG2 4.01Å; F102-V105 PolarHBondContact O-N 2.95Å; F102-V105 VanDerWaalsContact O-N 3.08Å; P103-V105 VanDerWaalsContact C-N 3.35Å; V105-V109 HydrophobicContact CG1-CB 3.91Å; V105-V109 HydrophobicContact CG1-CG1 4.12Å; V105-V109 HydrophobicContact CG1-CG2 4.41Å; V105-F110 HydrophobicContact CB-CE2 3.54Å; V105-F110 HydrophobicContact CB-CZ 3.6Å; V105-F110 HydrophobicContact CG1-CD2 4.1Å; V105-F110 HydrophobicContact CG1-CE1 4.2Å; V105-F110 HydrophobicContact CG1-CE2 3.52Å; V105-F110 HydrophobicContact CG1-CZ 3.55Å; V105-F110 HydrophobicContact CG2-CZ 4.16Å |
| 106 | P | 89.9 | Confident | 85.9 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | trans | -60.4 | 141.1 | 177.8 | -24 | 34 | 0 | 0 | 0 | 112.5 | W108 V109 | P106-W108 VanDerWaalsContact CB-CD1 3.4Å; P106-W108 HydrophobicContact CB-CG 4.33Å; P106-W108 VanDerWaalsContact CB-NE1 3.32Å; P106-W108 PolarHBondContact O-N 2.87Å; P106-W108 VanDerWaalsContact O-N 3.16Å; P106-V109 HydrophobicContact CB-CG2 4.34Å; P106-V109 WeakPolarHBondContact O-CB 3.42Å; P106-V109 PolarHBondContact O-N 3.29Å | ||
| 107 | S | 86.6 | Confident | 86 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.3 | -37.3 | -175.8 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | A95 V109 F110 V111 | A95-S107 WeakPolarHBondContact CB-OG 3.45Å; S107-V109 PolarHBondContact O-N 2.93Å; S107-F110 PolarHBondContact O-N 3.44Å; S107-F110 VanDerWaalsContact O-N 3.09Å; S107-V111 WeakPolarHBondContact O-CG2 3.26Å; S107-V111 PolarHBondContact O-N 3.46Å |
| 108 | W | 90.4 | Very high | 86 | Confident | 165 Ų | 165 | 79.3 Ų | 79.3 | 63% | 0.625 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.3 | -30.4 | 179.2 | 71.8 | -99 | 0 | 0 | 0 | 113.2 | P106 V111 L112 | P106-W108 VanDerWaalsContact CB-CD1 3.4Å; P106-W108 HydrophobicContact CB-CG 4.33Å; P106-W108 VanDerWaalsContact CB-NE1 3.32Å; P106-W108 PolarHBondContact O-N 2.87Å; P106-W108 VanDerWaalsContact O-N 3.16Å; W108-V111 PolarHBondContact O-N 2.87Å; W108-L112 HydrophobicContact CE3-CD1 3.41Å; W108-L112 VanDerWaalsContact CE3-CD1 3.41Å; W108-L112 HydrophobicContact CE3-CG 4.18Å; W108-L112 HydrophobicContact CZ3-CD1 3.41Å; W108-L112 VanDerWaalsContact CZ3-CD1 3.41Å; W108-L112 WeakPolarHBondContact O-CB 3.44Å; W108-L112 WeakPolarHBondContact O-CG 3.38Å; W108-L112 PolarHBondContact O-N 3.16Å |
| 109 | V | 91.8 | Very high | 85.7 | Confident | 39 Ų | 39 | 80.7 Ų | 80.7 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.4 | -45.3 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | V105 P106 S107 L112 I113 | V105-V109 HydrophobicContact CG1-CB 3.91Å; V105-V109 HydrophobicContact CG1-CG1 4.12Å; V105-V109 HydrophobicContact CG1-CG2 4.41Å; P106-V109 HydrophobicContact CB-CG2 4.34Å; P106-V109 WeakPolarHBondContact O-CB 3.42Å; P106-V109 PolarHBondContact O-N 3.29Å; S107-V109 PolarHBondContact O-N 2.93Å; V109-L112 PolarHBondContact O-N 3.47Å; V109-I113 HydrophobicContact CG1-CD1 3.85Å; V109-I113 VanDerWaalsContact O-CG1 3.26Å; V109-I113 WeakPolarHBondContact O-CG1 3.34Å; V109-I113 PolarHBondContact O-N 2.71Å |
| 110 | F | 90.4 | Very high | 85.2 | Confident | 17 Ų | 17 | 83 Ų | 83 | 8% | 0.075 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 175.2 | -67.9 | -56.8 | 0 | 0 | 0 | 112.1 | A95 M98 Q99 F102 V105 S107 L112 I113 L114 | A95-F110 HydrophobicContact CB-CB 3.63Å; M98-F110 HydrophobicContact CB-CB 4.38Å; M98-F110 HydrophobicContact CB-CD1 3.66Å; M98-F110 HydrophobicContact CB-CD2 3.71Å; M98-F110 HydrophobicContact CB-CE1 3.79Å; M98-F110 HydrophobicContact CB-CE2 3.81Å; M98-F110 HydrophobicContact CB-CG 3.64Å; M98-F110 HydrophobicContact CB-CZ 3.88Å; M98-F110 HydrophobicContact CE-CD1 4.22Å; M98-F110 HydrophobicContact CE-CE1 3.93Å; M98-F110 HydrophobicContact CG-CD1 3.97Å; M98-F110 HydrophobicContact CG-CE1 4.36Å; M98-F110 HydrophobicContact CG-CG 4.19Å; Q99-F110 HydrophobicContact CG-CD2 4.05Å; Q99-F110 HydrophobicContact CG-CE2 3.99Å; F102-F110 HydrophobicContact CB-CE2 4.2Å; F102-F110 HydrophobicContact CB-CZ 3.63Å; F102-F110 HydrophobicContact CD2-CE1 4.4Å; F102-F110 HydrophobicContact CD2-CZ 4.01Å; F102-F110 HydrophobicContact CG-CZ 4.11Å; V105-F110 HydrophobicContact CB-CE2 3.54Å; V105-F110 HydrophobicContact CB-CZ 3.6Å; V105-F110 HydrophobicContact CG1-CD2 4.1Å; V105-F110 HydrophobicContact CG1-CE1 4.2Å; V105-F110 HydrophobicContact CG1-CE2 3.52Å; V105-F110 HydrophobicContact CG1-CZ 3.55Å; V105-F110 HydrophobicContact CG2-CZ 4.16Å; S107-F110 PolarHBondContact O-N 3.44Å; S107-F110 VanDerWaalsContact O-N 3.09Å; F110-L112 VanDerWaalsContact C-N 3.33Å; F110-L112 PolarHBondContact O-N 2.93Å; F110-I113 PolarHBondContact O-N 2.89Å; F110-L114 VanDerWaalsContact O-CB 3.3Å; F110-L114 WeakPolarHBondContact O-CB 3.35Å; F110-L114 VanDerWaalsContact O-CG 3.22Å; F110-L114 WeakPolarHBondContact O-CG 3.34Å; F110-L114 PolarHBondContact O-N 3.06Å |
| 111 | V | 88.7 | Confident | 84.7 | Confident | 34 Ų | 34 | 83.8 Ų | 83.8 | 21% | 0.206 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 175 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | A91 V92 A95 S107 W108 L114 A115 | A91-V111 HydrophobicContact CB-CG1 3.99Å; A91-V111 HydrophobicContact CB-CG2 4.5Å; V92-V111 HydrophobicContact CG2-CG2 4.25Å; A95-V111 HydrophobicContact CB-CG2 3.65Å; S107-V111 WeakPolarHBondContact O-CG2 3.26Å; S107-V111 PolarHBondContact O-N 3.46Å; W108-V111 PolarHBondContact O-N 2.87Å; V111-L114 PolarHBondContact O-N 3.32Å; V111-A115 VanDerWaalsContact O-CB 3.29Å; V111-A115 WeakPolarHBondContact O-CB 3.28Å; V111-A115 PolarHBondContact O-N 3.41Å |
| 112 | L | 89.9 | Confident | 83.9 | Confident | 92 Ų | 92 | 82.7 Ų | 82.7 | 48% | 0.482 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 177 | -75.9 | -179.9 | 0 | 0 | 0 | 112.6 | W108 V109 F110 L114 A115 L116 | W108-L112 HydrophobicContact CE3-CD1 3.41Å; W108-L112 VanDerWaalsContact CE3-CD1 3.41Å; W108-L112 HydrophobicContact CE3-CG 4.18Å; W108-L112 HydrophobicContact CZ3-CD1 3.41Å; W108-L112 VanDerWaalsContact CZ3-CD1 3.41Å; W108-L112 WeakPolarHBondContact O-CB 3.44Å; W108-L112 WeakPolarHBondContact O-CG 3.38Å; W108-L112 PolarHBondContact O-N 3.16Å; V109-L112 PolarHBondContact O-N 3.47Å; F110-L112 VanDerWaalsContact C-N 3.33Å; F110-L112 PolarHBondContact O-N 2.93Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-A115 PolarHBondContact O-N 2.9Å; L112-L116 WeakPolarHBondContact O-CB 3.33Å; L112-L116 WeakPolarHBondContact O-CG 3.45Å; L112-L116 PolarHBondContact O-N 3.35Å |
| 113 | I | 89.2 | Confident | 82 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 40% | 0.4 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 177.4 | -70.1 | 165.8 | 0 | 0 | 0 | 109.9 | V109 F110 A115 L116 L117 | V109-I113 HydrophobicContact CG1-CD1 3.85Å; V109-I113 VanDerWaalsContact O-CG1 3.26Å; V109-I113 WeakPolarHBondContact O-CG1 3.34Å; V109-I113 PolarHBondContact O-N 2.71Å; F110-I113 PolarHBondContact O-N 2.89Å; I113-A115 PolarHBondContact O-N 3.5Å; I113-L116 PolarHBondContact O-N 3.35Å; I113-L117 HydrophobicContact CG2-CD1 3.69Å; I113-L117 HydrophobicContact CG2-CG 4.2Å; I113-L117 VanDerWaalsContact O-CB 3.31Å; I113-L117 WeakPolarHBondContact O-CB 3.36Å; I113-L117 VanDerWaalsContact O-CG 3.26Å; I113-L117 WeakPolarHBondContact O-CG 3.48Å; I113-L117 PolarHBondContact O-N 3.41Å |
| 114 | L | 85.2 | Confident | 79.8 | Confident | 47 Ų | 47 | 88.6 Ų | 88.6 | 25% | 0.246 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 177.8 | -72.7 | 169.3 | 0 | 0 | 0 | 111.7 | A94 F110 V111 L112 T118 | A94-L114 HydrophobicContact CB-CD1 3.42Å; A94-L114 VanDerWaalsContact CB-CD1 3.42Å; F110-L114 VanDerWaalsContact O-CB 3.3Å; F110-L114 WeakPolarHBondContact O-CB 3.35Å; F110-L114 VanDerWaalsContact O-CG 3.22Å; F110-L114 WeakPolarHBondContact O-CG 3.34Å; F110-L114 PolarHBondContact O-N 3.06Å; V111-L114 PolarHBondContact O-N 3.32Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L114-T118 WeakPolarHBondContact O-CB 3.34Å; L114-T118 PolarHBondContact O-N 3.31Å; L114-T118 PolarHBondContact O-OG1 3.43Å |
| 115 | A | 84.2 | Confident | 77.4 | Confident | 47 Ų | 47 | 85.4 Ų | 85.4 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.9 | -50.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V111 L112 I113 T118 T119 | V111-A115 VanDerWaalsContact O-CB 3.29Å; V111-A115 WeakPolarHBondContact O-CB 3.28Å; V111-A115 PolarHBondContact O-N 3.41Å; L112-A115 PolarHBondContact O-N 2.9Å; I113-A115 PolarHBondContact O-N 3.5Å; A115-T118 PolarHBondContact O-N 2.67Å; A115-T119 WeakPolarHBondContact O-CB 3.4Å; A115-T119 PolarHBondContact O-N 3.42Å; A115-T119 PolarHBondContact O-OG1 3.43Å |
| 116 | L | 84.7 | Confident | 74.7 | Confident | 117 Ų | 117 | 88.8 Ų | 88.8 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 177.8 | -70.7 | 172.4 | 0 | 0 | 0 | 112 | L112 I113 T118 T119 L120 | L112-L116 WeakPolarHBondContact O-CB 3.33Å; L112-L116 WeakPolarHBondContact O-CG 3.45Å; L112-L116 PolarHBondContact O-N 3.35Å; I113-L116 PolarHBondContact O-N 3.35Å; L116-T118 PolarHBondContact O-N 3.48Å; L116-T119 PolarHBondContact O-N 2.92Å; L116-L120 VanDerWaalsContact O-CG 3.24Å; L116-L120 WeakPolarHBondContact O-CG 3.21Å; L116-L120 PolarHBondContact O-N 2.86Å |
| 117 | L | 82.6 | Confident | 72 | Confident | 85 Ų | 85 | 95.6 Ų | 95.6 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 178.2 | -73.5 | 176.4 | 0 | 0 | 0 | 111.5 | I113 L120 I121 | I113-L117 HydrophobicContact CG2-CD1 3.69Å; I113-L117 HydrophobicContact CG2-CG 4.2Å; I113-L117 VanDerWaalsContact O-CB 3.31Å; I113-L117 WeakPolarHBondContact O-CB 3.36Å; I113-L117 VanDerWaalsContact O-CG 3.26Å; I113-L117 WeakPolarHBondContact O-CG 3.48Å; I113-L117 PolarHBondContact O-N 3.41Å; L117-L120 CarbonylContact O-C 3.55Å; L117-L120 PolarHBondContact O-N 3.44Å; L117-I121 HydrophobicContact CB-CD1 4.34Å; L117-I121 VanDerWaalsContact O-CB 3.3Å; L117-I121 WeakPolarHBondContact O-CB 3.45Å; L117-I121 WeakPolarHBondContact O-CD1 3.38Å; L117-I121 WeakPolarHBondContact O-CG1 3.49Å; L117-I121 PolarHBondContact O-N 3.45Å |
| 118 | T | 75.3 | Confident | 69.8 | Low | 72 Ų | 72 | 101.2 Ų | 101.2 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | L114 A115 L116 L120 I121 N122 | L114-T118 WeakPolarHBondContact O-CB 3.34Å; L114-T118 PolarHBondContact O-N 3.31Å; L114-T118 PolarHBondContact O-OG1 3.43Å; A115-T118 PolarHBondContact O-N 2.67Å; L116-T118 PolarHBondContact O-N 3.48Å; T118-L120 VanDerWaalsContact C-N 3.28Å; T118-L120 PolarHBondContact O-N 3.28Å; T118-I121 PolarHBondContact O-N 3.07Å; T118-N122 WeakPolarHBondContact O-CB 3.18Å; T118-N122 VanDerWaalsContact O-CG 3.26Å; T118-N122 PolarHBondContact O-N 3.5Å; T118-N122 PolarHBondContact O-ND2 2.97Å |
| 119 | T | 74.3 | Confident | 67.3 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.5 | -39.6 | 171.5 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | A115 L116 | A115-T119 WeakPolarHBondContact O-CB 3.4Å; A115-T119 PolarHBondContact O-N 3.42Å; A115-T119 PolarHBondContact O-OG1 3.43Å; L116-T119 PolarHBondContact O-N 2.92Å |
| 120 | L | 71.6 | Confident | 64.9 | Low | 111 Ų | 111 | 101.4 Ų | 101.4 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.8 | -41 | 176.4 | -68.6 | 169.8 | 0 | 0 | 0 | 112.6 | L116 L117 T118 N122 L123 | L116-L120 VanDerWaalsContact O-CG 3.24Å; L116-L120 WeakPolarHBondContact O-CG 3.21Å; L116-L120 PolarHBondContact O-N 2.86Å; L117-L120 CarbonylContact O-C 3.55Å; L117-L120 PolarHBondContact O-N 3.44Å; T118-L120 VanDerWaalsContact C-N 3.28Å; T118-L120 PolarHBondContact O-N 3.28Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-L123 WeakPolarHBondContact O-CB 3.21Å; L120-L123 PolarHBondContact O-N 2.85Å |
| 121 | I | 68.4 | Low | 62.7 | Low | 85 Ų | 85 | 106.6 Ų | 106.6 | 44% | 0.436 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74 | -23.8 | -179.9 | -67.6 | 164.4 | 0 | 0 | 0 | 111.4 | L117 T118 L123 Y124 V126 | L117-I121 HydrophobicContact CB-CD1 4.34Å; L117-I121 VanDerWaalsContact O-CB 3.3Å; L117-I121 WeakPolarHBondContact O-CB 3.45Å; L117-I121 WeakPolarHBondContact O-CD1 3.38Å; L117-I121 WeakPolarHBondContact O-CG1 3.49Å; L117-I121 PolarHBondContact O-N 3.45Å; T118-I121 PolarHBondContact O-N 3.07Å; I121-L123 PolarHBondContact O-N 3.05Å; I121-Y124 CarbonylContact O-C 3.6Å; I121-Y124 PolarHBondContact O-N 2.93Å; I121-V126 HydrophobicContact CG2-CG2 4.15Å |
| 122 | N | 65.3 | Low | 60.8 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -9.4 | 170.2 | -85.3 | -31.3 | 0 | 0 | 0 | 112.8 | T118 L120 | T118-N122 WeakPolarHBondContact O-CB 3.18Å; T118-N122 VanDerWaalsContact O-CG 3.26Å; T118-N122 PolarHBondContact O-N 3.5Å; T118-N122 PolarHBondContact O-ND2 2.97Å; L120-N122 VanDerWaalsContact C-N 3.34Å |
| 123 | L | 47 | Very low | 58.7 | Low | 132 Ų | 132 | 110.3 Ų | 110.3 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -7.1 | 168.9 | -60 | 169.2 | 0 | 0 | 0 | 114.6 | L120 I121 | L120-L123 WeakPolarHBondContact O-CB 3.21Å; L120-L123 PolarHBondContact O-N 2.85Å; I121-L123 PolarHBondContact O-N 3.05Å |
| 124 | Y | 40.7 | Very low | 57.1 | Low | 186 Ų | 186 | 112.4 Ų | 112.4 | 73% | 0.729 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -144.2 | 116.3 | -176.3 | -75.3 | -84.4 | 0 | 0 | 0 | 112.4 | I121 V126 | I121-Y124 CarbonylContact O-C 3.6Å; I121-Y124 PolarHBondContact O-N 2.93Å; Y124-V126 PolarHBondContact O-N 2.76Å |
| 125 | S | 38.8 | Very low | 55.7 | Low | 113 Ų | 113 | 112 Ų | 112 | 79% | 0.79 | 59% | 0.585 | S | S | * | * | trans | -63.8 | 127.1 | 178.4 | 66.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 126 | V | 33.6 | Very low | 54.4 | Low | 117 Ų | 117 | 112.5 Ų | 112.5 | 71% | 0.709 | 59% | 0.589 | S | S | * | * | trans | -113 | 133.5 | 171.5 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | I121 Y124 | I121-V126 HydrophobicContact CG2-CG2 4.15Å; Y124-V126 PolarHBondContact O-N 2.76Å | ||
| 127 | R | 34.2 | Very low | 53.2 | Low | 207 Ų | 207 | 114.1 Ų | 114.1 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | trans | -110.1 | 118 | -176.6 | -176 | -176.6 | -168.4 | 176.2 | 2.7 | 107 | ||||
| 128 | L | 39.8 | Very low | 52.2 | Low | 154 Ų | 154 | 111.8 Ų | 111.8 | 81% | 0.806 | 58% | 0.576 | S | S | * | * | trans | -160.8 | 132.2 | 162.1 | -106.6 | 130.4 | 0 | 0 | 0 | 111.4 | ||||
| 129 | F | 38.7 | Very low | 51.5 | Low | 120 Ų | 120 | 109.3 Ų | 109.3 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | trans | -157.8 | 110.1 | 173.7 | -147.9 | -97.7 | 0 | 0 | 0 | 106.1 | I9 F214 | I9-F129 HydrophobicContact CD1-CD2 4.43Å; I9-F129 HydrophobicContact CD1-CE2 3.36Å; I9-F129 HydrophobicContact CD1-CZ 3.78Å; F129-F214 HydrophobicContact CD1-CZ 4.22Å; F129-F214 HydrophobicContact CE1-CE1 4.2Å; F129-F214 AromaticContact CE1-CE2 3.7Å; F129-F214 HydrophobicContact CE1-CE2 3.7Å; F129-F214 AromaticContact CE1-CZ 3.15Å; F129-F214 HydrophobicContact CE1-CZ 3.15Å; F129-F214 HydrophobicContact CE2-CE1 4.35Å; F129-F214 HydrophobicContact CE2-CE2 4.28Å; F129-F214 AromaticContact CE2-CZ 3.77Å; F129-F214 HydrophobicContact CE2-CZ 3.77Å; F129-F214 HydrophobicContact CZ-CD2 4.41Å; F129-F214 AromaticContact CZ-CE1 3.84Å; F129-F214 HydrophobicContact CZ-CE1 3.84Å; F129-F214 AromaticContact CZ-CE2 3.24Å; F129-F214 HydrophobicContact CZ-CE2 3.24Å; F129-F214 AromaticContact CZ-CZ 2.89Å; F129-F214 HydrophobicContact CZ-CZ 2.89Å | ||
| 130 | A | 40.4 | Very low | 50.9 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | trans | -154.5 | 16.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 131 | E | 44.6 | Very low | 50.6 | Low | 125 Ų | 125 | 107.7 Ų | 107.7 | 58% | 0.584 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -117.8 | -15.1 | -176.5 | -71.5 | -175.8 | 165.6 | 0 | 0 | 115.6 | E133 Y134 C135 Y243 | E131-E133 PolarHBondContact O-N 2.99Å; E131-Y134 PolarHBondContact O-N 2.73Å; E131-C135 PolarHBondContact O-N 3.32Å; E131-Y243 PolarHBondContact OE1-OH 3.04Å |
| 132 | T | 48.1 | Very low | 50.4 | Low | 29 Ų | 29 | 106.1 Ų | 106.1 | 18% | 0.178 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -67.4 | -31.4 | -176.4 | 14.4 | 0 | 0 | 0 | 0 | 115.8 | Y134 C135 A136 F214 | T132-Y134 PolarHBondContact O-N 2.84Å; T132-C135 PolarHBondContact O-N 3.08Å; T132-A136 PolarHBondContact O-N 2.98Å; T132-F214 HydrophobicContact CG2-CD1 3.72Å; T132-F214 HydrophobicContact CG2-CD2 4.1Å; T132-F214 HydrophobicContact CG2-CE1 3.16Å; T132-F214 HydrophobicContact CG2-CE2 3.54Å; T132-F214 HydrophobicContact CG2-CG 4.15Å; T132-F214 HydrophobicContact CG2-CZ 2.99Å; T132-F214 WeakPolarHBondContact OG1-CZ 3.29Å |
| 133 | E | 46.9 | Very low | 50.3 | Low | 175 Ų | 175 | 102.6 Ų | 102.6 | 82% | 0.818 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -30.7 | -178.5 | -65 | -176 | 161.7 | 0 | 0 | 111.1 | E131 Y137 | E131-E133 PolarHBondContact O-N 2.99Å; E133-Y137 PolarHBondContact O-N 3.46Å |
| 134 | Y | 54.4 | Low | 51.3 | Low | 122 Ų | 122 | 104.8 Ų | 104.8 | 48% | 0.478 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.2 | -40.5 | 177 | -172 | -107.9 | 0 | 0 | 0 | 112.2 | E131 T132 A136 Y137 L138 | E131-Y134 PolarHBondContact O-N 2.73Å; T132-Y134 PolarHBondContact O-N 2.84Å; Y134-A136 PolarHBondContact O-N 3.24Å; Y134-Y137 PolarHBondContact O-N 3.4Å; Y134-L138 HydrophobicContact CD1-CD1 4.08Å; Y134-L138 HydrophobicContact CE1-CD1 3.69Å; Y134-L138 HydrophobicContact CE1-CG 4.35Å; Y134-L138 PolarHBondContact O-N 3.32Å |
| 135 | C | 55.6 | Low | 52.4 | Low | 38 Ų | 38 | 100.5 Ų | 100.5 | 26% | 0.257 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 177.5 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | E131 T132 Y137 L138 V139 L221 | E131-C135 PolarHBondContact O-N 3.32Å; T132-C135 PolarHBondContact O-N 3.08Å; C135-Y137 VanDerWaalsContact C-N 3.31Å; C135-Y137 PolarHBondContact O-N 3.48Å; C135-L138 PolarHBondContact O-N 3.43Å; C135-V139 VanDerWaalsContact O-CG2 3.3Å; C135-V139 WeakPolarHBondContact O-CG2 3.37Å; C135-V139 PolarHBondContact O-N 3.49Å; C135-L221 HydrophobicContact CB-CD1 4.31Å; C135-L221 WeakPolarHBondContact O-CD1 3.45Å |
| 136 | A | 56.7 | Low | 53.6 | Low | 58 Ų | 58 | 96.1 Ų | 96.1 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T132 Y134 V139 G140 | T132-A136 PolarHBondContact O-N 2.98Å; Y134-A136 PolarHBondContact O-N 3.24Å; A136-V139 PolarHBondContact O-N 2.95Å; A136-G140 PolarHBondContact O-N 3.21Å |
| 137 | Y | 59.7 | Low | 55.2 | Low | 152 Ų | 152 | 92 Ų | 92 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 176.6 | 173.4 | -101.5 | 0 | 0 | 0 | 112.7 | E133 Y134 C135 V139 G140 R141 | E133-Y137 PolarHBondContact O-N 3.46Å; Y134-Y137 PolarHBondContact O-N 3.4Å; C135-Y137 VanDerWaalsContact C-N 3.31Å; C135-Y137 PolarHBondContact O-N 3.48Å; Y137-V139 VanDerWaalsContact C-N 3.29Å; Y137-V139 PolarHBondContact O-N 3.49Å; Y137-G140 PolarHBondContact O-N 2.8Å; Y137-R141 PolarHBondContact O-N 2.93Å |
| 138 | L | 61.9 | Low | 56.8 | Low | 35 Ų | 35 | 89 Ų | 89 | 18% | 0.183 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.1 | -32.8 | 178 | -67.2 | 175 | 0 | 0 | 0 | 112.4 | Y134 C135 R141 E142 | Y134-L138 HydrophobicContact CD1-CD1 4.08Å; Y134-L138 HydrophobicContact CE1-CD1 3.69Å; Y134-L138 HydrophobicContact CE1-CG 4.35Å; Y134-L138 PolarHBondContact O-N 3.32Å; C135-L138 PolarHBondContact O-N 3.43Å; L138-R141 PolarHBondContact O-N 3.27Å; L138-E142 WeakPolarHBondContact O-CG 3.44Å; L138-E142 PolarHBondContact O-N 3.2Å |
| 139 | V | 61.2 | Low | 58.2 | Low | 21 Ų | 21 | 87.1 Ų | 87.1 | 13% | 0.127 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.7 | -49.6 | 179.2 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | C135 A136 Y137 R141 E142 I143 V217 L221 | C135-V139 VanDerWaalsContact O-CG2 3.3Å; C135-V139 WeakPolarHBondContact O-CG2 3.37Å; C135-V139 PolarHBondContact O-N 3.49Å; A136-V139 PolarHBondContact O-N 2.95Å; Y137-V139 VanDerWaalsContact C-N 3.29Å; Y137-V139 PolarHBondContact O-N 3.49Å; V139-R141 PolarHBondContact O-N 3.38Å; V139-E142 PolarHBondContact O-N 2.91Å; V139-I143 HydrophobicContact CG1-CD1 3.68Å; V139-I143 HydrophobicContact CG1-CG1 4.4Å; V139-I143 WeakPolarHBondContact O-CB 3.49Å; V139-I143 WeakPolarHBondContact O-CG1 3.35Å; V139-I143 PolarHBondContact O-N 3.08Å; V139-I143 VanDerWaalsContact O-N 3.09Å; V139-V217 HydrophobicContact CG2-CG1 3.36Å; V139-L221 HydrophobicContact CB-CD2 3.6Å; V139-L221 HydrophobicContact CB-CG 4.15Å; V139-L221 HydrophobicContact CG1-CD2 3.99Å; V139-L221 HydrophobicContact CG1-CG 4.47Å; V139-L221 HydrophobicContact CG2-CD1 3.39Å; V139-L221 HydrophobicContact CG2-CD2 3.29Å; V139-L221 HydrophobicContact CG2-CG 3.29Å |
| 140 | G | 60.4 | Low | 59.6 | Low | 45 Ų | 45 | 86.1 Ų | 86.1 | 46% | 0.464 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A136 Y137 F144 | A136-G140 PolarHBondContact O-N 3.21Å; Y137-G140 PolarHBondContact O-N 2.8Å; G140-F144 WeakPolarHBondContact O-CB 3.34Å; G140-F144 PolarHBondContact O-N 3.41Å |
| 141 | R | 66.7 | Low | 60.9 | Low | 129 Ų | 129 | 82.1 Ų | 82.1 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -51.8 | 179.5 | -174.2 | 178.8 | 172.1 | -169.7 | -1.9 | 112.7 | Y137 L138 V139 I143 F144 D145 | Y137-R141 PolarHBondContact O-N 2.93Å; L138-R141 PolarHBondContact O-N 3.27Å; V139-R141 PolarHBondContact O-N 3.38Å; R141-I143 PolarHBondContact O-N 2.88Å; R141-F144 PolarHBondContact O-N 3.39Å; R141-D145 WeakPolarHBondContact CG-OD2 3.28Å; R141-D145 IonicContact NE-OD2 3.48Å; R141-D145 PolarHBondContact NE-OD2 3.42Å; R141-D145 WeakPolarHBondContact O-CB 3.23Å; R141-D145 VanDerWaalsContact O-CG 3.31Å; R141-D145 PolarHBondContact O-N 2.95Å |
| 142 | E | 64.2 | Low | 62.1 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | -177.6 | -69.4 | -62.5 | 147.7 | 0 | 0 | 112.4 | L138 V139 F144 D145 I146 I225 | L138-E142 WeakPolarHBondContact O-CG 3.44Å; L138-E142 PolarHBondContact O-N 3.2Å; V139-E142 PolarHBondContact O-N 2.91Å; E142-F144 VanDerWaalsContact C-N 3.3Å; E142-F144 PolarHBondContact O-N 3.02Å; E142-D145 PolarHBondContact O-N 3.2Å; E142-I146 HydrophobicContact CB-CD1 4.31Å; E142-I146 VanDerWaalsContact O-CB 3.31Å; E142-I146 WeakPolarHBondContact O-CB 3.12Å; E142-I146 WeakPolarHBondContact O-CG1 3.38Å; E142-I146 PolarHBondContact O-N 3.41Å; E142-I146 WeakPolarHBondContact OE2-CD1 3.36Å; E142-I225 HydrophobicContact CG-CD1 4.27Å; E142-I225 HydrophobicContact CG-CG1 4.19Å |
| 143 | I | 63.3 | Low | 63.2 | Low | 56 Ų | 56 | 81.7 Ų | 81.7 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 175.9 | -65.5 | 176.1 | 0 | 0 | 0 | 111 | V139 R141 G147 I224 | V139-I143 HydrophobicContact CG1-CD1 3.68Å; V139-I143 HydrophobicContact CG1-CG1 4.4Å; V139-I143 WeakPolarHBondContact O-CB 3.49Å; V139-I143 WeakPolarHBondContact O-CG1 3.35Å; V139-I143 PolarHBondContact O-N 3.08Å; V139-I143 VanDerWaalsContact O-N 3.09Å; R141-I143 PolarHBondContact O-N 2.88Å; I143-G147 VanDerWaalsContact O-CA 3.26Å; I143-G147 WeakPolarHBondContact O-CA 3.34Å; I143-G147 PolarHBondContact O-N 3.15Å; I143-I224 HydrophobicContact CG1-CD1 4.22Å |
| 144 | F | 67.3 | Low | 64.4 | Low | 177 Ų | 177 | 79.6 Ų | 79.6 | 78% | 0.776 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70.9 | -41 | 177.3 | -172.2 | -94.2 | 0 | 0 | 0 | 112.2 | G140 R141 E142 | G140-F144 WeakPolarHBondContact O-CB 3.34Å; G140-F144 PolarHBondContact O-N 3.41Å; R141-F144 PolarHBondContact O-N 3.39Å; E142-F144 VanDerWaalsContact C-N 3.3Å; E142-F144 PolarHBondContact O-N 3.02Å |
| 145 | D | 63.6 | Low | 65.3 | Low | 97 Ų | 97 | 74.3 Ų | 74.3 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -75.3 | -37.8 | -177.9 | -71.8 | -18.7 | 0 | 0 | 0 | 112.3 | R141 E142 | R141-D145 WeakPolarHBondContact CG-OD2 3.28Å; R141-D145 IonicContact NE-OD2 3.48Å; R141-D145 PolarHBondContact NE-OD2 3.42Å; R141-D145 WeakPolarHBondContact O-CB 3.23Å; R141-D145 VanDerWaalsContact O-CG 3.31Å; R141-D145 PolarHBondContact O-N 2.95Å; E142-D145 PolarHBondContact O-N 3.2Å |
| 146 | I | 65.3 | Low | 66.2 | Low | 21 Ų | 21 | 75.4 Ų | 75.4 | 11% | 0.108 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -90.9 | -28.2 | -177.8 | -59.9 | 161.3 | 0 | 0 | 0 | 111.7 | E142 D150 I224 | E142-I146 HydrophobicContact CB-CD1 4.31Å; E142-I146 VanDerWaalsContact O-CB 3.31Å; E142-I146 WeakPolarHBondContact O-CB 3.12Å; E142-I146 WeakPolarHBondContact O-CG1 3.38Å; E142-I146 PolarHBondContact O-N 3.41Å; E142-I146 WeakPolarHBondContact OE2-CD1 3.36Å; I146-D150 HydrophobicContact CG2-CB 3.67Å; I146-D150 WeakPolarHBondContact O-CB 3.32Å; I146-I224 HydrophobicContact CD1-CG2 4.04Å |
| 147 | G | 66.7 | Low | 66.8 | Low | 29 Ų | 29 | 76 Ų | 76 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | trans | 79.8 | 146.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I143 V149 D150 T151 | I143-G147 VanDerWaalsContact O-CA 3.26Å; I143-G147 WeakPolarHBondContact O-CA 3.34Å; I143-G147 PolarHBondContact O-N 3.15Å; G147-V149 PolarHBondContact O-N 3.13Å; G147-D150 PolarHBondContact O-N 2.92Å; G147-T151 WeakPolarHBondContact O-CB 3.25Å; G147-T151 PolarHBondContact O-N 3.39Å; G147-T151 PolarHBondContact O-OG1 2.67Å | ||
| 148 | F | 68 | Low | 67.3 | Low | 144 Ų | 144 | 71.9 Ų | 71.9 | 63% | 0.632 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.6 | -37.3 | -171.1 | -173.7 | -99.6 | 0 | 0 | 0 | 114 | T151 I152 | F148-T151 WeakPolarHBondContact O-CB 3.42Å; F148-I152 HydrophobicContact CE1-CG1 4.3Å; F148-I152 HydrophobicContact CZ-CG1 4.42Å; F148-I152 WeakPolarHBondContact O-CG1 3.3Å; F148-I152 PolarHBondContact O-N 3Å |
| 149 | V | 69.1 | Low | 67.7 | Low | 116 Ų | 116 | 73.1 Ų | 73.1 | 70% | 0.703 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -70 | -45.3 | -178.5 | 177.7 | 0 | 0 | 0 | 0 | 111 | G147 T151 I152 S153 | G147-V149 PolarHBondContact O-N 3.13Å; V149-T151 VanDerWaalsContact C-N 3.27Å; V149-T151 PolarHBondContact O-N 3.27Å; V149-I152 PolarHBondContact O-N 3.32Å; V149-S153 PolarHBondContact O-N 3.38Å |
| 150 | D | 68.1 | Low | 68.7 | Low | 99 Ų | 99 | 73.4 Ų | 73.4 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68 | -32.2 | 179.1 | -67.9 | -22.6 | 0 | 0 | 0 | 111.4 | I146 G147 S153 R154 | I146-D150 HydrophobicContact CG2-CB 3.67Å; I146-D150 WeakPolarHBondContact O-CB 3.32Å; G147-D150 PolarHBondContact O-N 2.92Å; D150-S153 WeakPolarHBondContact O-CB 3.4Å; D150-S153 PolarHBondContact O-N 3.5Å; D150-R154 WeakPolarHBondContact O-CG 3.25Å; D150-R154 PolarHBondContact O-N 3.42Å |
| 151 | T | 67.4 | Low | 70 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 3% | 0.025 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.5 | -50.6 | 172.1 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | G147 F148 V149 S153 R154 M155 I224 | G147-T151 WeakPolarHBondContact O-CB 3.25Å; G147-T151 PolarHBondContact O-N 3.39Å; G147-T151 PolarHBondContact O-OG1 2.67Å; F148-T151 WeakPolarHBondContact O-CB 3.42Å; V149-T151 VanDerWaalsContact C-N 3.27Å; V149-T151 PolarHBondContact O-N 3.27Å; T151-S153 VanDerWaalsContact C-N 3.34Å; T151-R154 PolarHBondContact O-N 3.4Å; T151-M155 PolarHBondContact O-N 3.39Å; T151-I224 HydrophobicContact CG2-CB 4.22Å; T151-I224 HydrophobicContact CG2-CD1 3.31Å; T151-I224 HydrophobicContact CG2-CG1 3.36Å; T151-I224 HydrophobicContact CG2-CG2 3.86Å |
| 152 | I | 69.3 | Low | 71 | Confident | 73 Ų | 73 | 71 Ų | 71 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 178 | -62.5 | -63.7 | 0 | 0 | 0 | 111.2 | F148 V149 M155 N156 | F148-I152 HydrophobicContact CE1-CG1 4.3Å; F148-I152 HydrophobicContact CZ-CG1 4.42Å; F148-I152 WeakPolarHBondContact O-CG1 3.3Å; F148-I152 PolarHBondContact O-N 3Å; V149-I152 PolarHBondContact O-N 3.32Å; I152-M155 HydrophobicContact CD1-SD 4.44Å; I152-M155 PolarHBondContact O-N 3.21Å; I152-N156 PolarHBondContact O-N 3.14Å; I152-N156 VanDerWaalsContact O-N 3.16Å; I152-N156 PolarHBondContact O-ND2 3.17Å |
| 153 | S | 71.5 | Confident | 72.1 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.5 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | V149 D150 T151 M155 N156 S157 | V149-S153 PolarHBondContact O-N 3.38Å; D150-S153 WeakPolarHBondContact O-CB 3.4Å; D150-S153 PolarHBondContact O-N 3.5Å; T151-S153 VanDerWaalsContact C-N 3.34Å; S153-M155 PolarHBondContact O-N 3.39Å; S153-N156 CarbonylContact O-C 3.57Å; S153-N156 PolarHBondContact O-N 3.1Å; S153-N156 VanDerWaalsContact O-N 3.16Å; S153-S157 WeakPolarHBondContact O-CB 3.33Å; S153-S157 PolarHBondContact O-N 3.48Å |
| 154 | R | 71.6 | Confident | 73.3 | Confident | 131 Ų | 131 | 72.1 Ų | 72.1 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 176.3 | -76.6 | 179.9 | -179.4 | -167.6 | 3.8 | 112.3 | D150 T151 N156 S157 | D150-R154 WeakPolarHBondContact O-CG 3.25Å; D150-R154 PolarHBondContact O-N 3.42Å; T151-R154 PolarHBondContact O-N 3.4Å; R154-N156 PolarHBondContact O-N 3.28Å; R154-S157 WeakPolarHBondContact O-CB 3.39Å; R154-S157 PolarHBondContact O-N 3.07Å; R154-S157 PolarHBondContact O-OG 3.31Å |
| 155 | M | 73.4 | Confident | 74.3 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 5% | 0.054 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.3 | -35.6 | 176.8 | -70.1 | 173.8 | 64.3 | 0 | 0 | 112.4 | P26 I29 T151 I152 S153 F161 L223 I224 | P26-M155 HydrophobicContact CB-CE 4.27Å; P26-M155 WeakPolarHBondContact CG-O 3.14Å; I29-M155 HydrophobicContact CD1-CE 3.25Å; T151-M155 PolarHBondContact O-N 3.39Å; I152-M155 HydrophobicContact CD1-SD 4.44Å; I152-M155 PolarHBondContact O-N 3.21Å; S153-M155 PolarHBondContact O-N 3.39Å; M155-F161 HydrophobicContact CE-CE2 4.24Å; M155-L223 HydrophobicContact CE-CB 4.15Å; M155-L223 HydrophobicContact CE-CD1 4.43Å; M155-L223 HydrophobicContact CG-CB 4.32Å; M155-L223 WeakPolarHBondContact CG-O 3.44Å; M155-I224 HydrophobicContact CG-CG1 4.38Å; M155-I224 HydrophobicContact SD-CG1 4.04Å |
| 156 | N | 76 | Confident | 75.6 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -87 | -11.1 | -178.3 | -68.4 | -25 | 0 | 0 | 0 | 114.3 | I152 S153 R154 H158 G160 F161 | I152-N156 PolarHBondContact O-N 3.14Å; I152-N156 VanDerWaalsContact O-N 3.16Å; I152-N156 PolarHBondContact O-ND2 3.17Å; S153-N156 CarbonylContact O-C 3.57Å; S153-N156 PolarHBondContact O-N 3.1Å; S153-N156 VanDerWaalsContact O-N 3.16Å; R154-N156 PolarHBondContact O-N 3.28Å; N156-H158 PolarHBondContact O-N 3.03Å; N156-H158 VanDerWaalsContact O-N 3.13Å; N156-G160 VanDerWaalsContact O-CA 3.24Å; N156-G160 WeakPolarHBondContact O-CA 3.01Å; N156-G160 PolarHBondContact O-N 3.45Å; N156-F161 WeakPolarHBondContact OD1-CA 3.32Å; N156-F161 VanDerWaalsContact OD1-CB 3.22Å; N156-F161 WeakPolarHBondContact OD1-CB 3.12Å; N156-F161 PolarHBondContact OD1-N 3.12Å |
| 157 | S | 67.4 | Low | 76.8 | Confident | 71 Ų | 71 | 71.4 Ų | 71.4 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19 | -169 | 63.7 | 0 | 0 | 0 | 0 | 114.9 | S153 R154 | S153-S157 WeakPolarHBondContact O-CB 3.33Å; S153-S157 PolarHBondContact O-N 3.48Å; R154-S157 WeakPolarHBondContact O-CB 3.39Å; R154-S157 PolarHBondContact O-N 3.07Å; R154-S157 PolarHBondContact O-OG 3.31Å |
| 158 | H | 70.6 | Confident | 78 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 31% | 0.306 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 72.4 | -175.7 | -66.3 | -67.7 | 0 | 0 | 0 | 112.1 | N156 R227 W228 | N156-H158 PolarHBondContact O-N 3.03Å; N156-H158 VanDerWaalsContact O-N 3.13Å; H158-R227 PolarHBondContact CE1-NE 3.42Å; H158-R227 PolarHBondContact ND1-NH2 3.01Å; H158-R227 WeakPolarHBondContact NE2-CD 3.47Å; H158-R227 PolarHBondContact NE2-NE 3.18Å; H158-W228 PolarHBondContact O-NE1 3.14Å |
| 159 | G | 71.7 | Confident | 79.1 | Confident | 60 Ų | 60 | 64 Ų | 64 | 62% | 0.619 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 10.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P163 | G159-P163 WeakPolarHBondContact O-CA 3.49Š|
| 160 | G | 82.4 | Confident | 80.3 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | trans | 81.3 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N156 T162 | N156-G160 VanDerWaalsContact O-CA 3.24Å; N156-G160 WeakPolarHBondContact O-CA 3.01Å; N156-G160 PolarHBondContact O-N 3.45Å; G160-T162 VanDerWaalsContact C-N 3.34Å; G160-T162 PolarHBondContact O-N 2.89Å | ||
| 161 | F | 85.9 | Confident | 81.4 | Confident | 67 Ų | 67 | 62 Ų | 62 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -67.6 | -34.9 | -178.8 | -168.4 | -113.3 | 0 | 0 | 0 | 112.7 | P26 S27 L30 M155 N156 P163 | P26-F161 HydrophobicContact CB-CD2 3.71Å; P26-F161 HydrophobicContact CB-CE2 3.99Å; P26-F161 WeakPolarHBondContact CD-O 3.23Å; S27-F161 VanDerWaalsContact CB-O 3.3Å; S27-F161 WeakPolarHBondContact CB-O 3.09Å; S27-F161 PolarHBondContact N-O 3.37Å; L30-F161 HydrophobicContact CD1-CE1 3.63Å; L30-F161 HydrophobicContact CD1-CZ 4.35Å; L30-F161 HydrophobicContact CG-CE1 3.82Å; L30-F161 HydrophobicContact CG-CZ 4.04Å; M155-F161 HydrophobicContact CE-CE2 4.24Å; N156-F161 WeakPolarHBondContact OD1-CA 3.32Å; N156-F161 VanDerWaalsContact OD1-CB 3.22Å; N156-F161 WeakPolarHBondContact OD1-CB 3.12Å; N156-F161 PolarHBondContact OD1-N 3.12Å; F161-P163 VanDerWaalsContact C-CD 3.47Å; F161-P163 WeakPolarHBondContact O-CD 3.48Å |
| 162 | T | 87.8 | Confident | 82.6 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 36% | 0.356 | 36% | 0.357 | S | S | . | . | trans | -122.3 | 69.1 | -177 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | G160 H164 G165 | G160-T162 VanDerWaalsContact C-N 3.34Å; G160-T162 PolarHBondContact O-N 2.89Å; T162-H164 PolarHBondContact O-N 3.43Å; T162-G165 PolarHBondContact O-N 3Å | ||
| 163 | P | 87.7 | Confident | 83.7 | Confident | 40 Ų | 40 | 60 Ų | 60 | 26% | 0.26 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -28.4 | -175.3 | 25.1 | -34.6 | 0 | 0 | 0 | 113 | G159 F161 W228 | G159-P163 WeakPolarHBondContact O-CA 3.49Å; F161-P163 VanDerWaalsContact C-CD 3.47Å; F161-P163 WeakPolarHBondContact O-CD 3.48Å; P163-W228 HydrophobicContact CB-CH2 4.02Å; P163-W228 HydrophobicContact CB-CZ2 3.62Å; P163-W228 HydrophobicContact CG-CD2 4.49Å; P163-W228 HydrophobicContact CG-CH2 3.79Å; P163-W228 HydrophobicContact CG-CZ2 3.51Å; P163-W228 HydrophobicContact CG-CZ3 4.38Å |
| 164 | H | 88 | Confident | 84.6 | Confident | 92 Ų | 92 | 62.8 Ų | 62.8 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 15.9 | 176.8 | -59 | -59.9 | 0 | 0 | 0 | 112.9 | G22 I23 T162 G168 W228 | G22-H164 PolarHBondContact O-CD2 3.16Å; G22-H164 PolarHBondContact O-NE2 3.49Å; G22-H164 VanDerWaalsContact O-NE2 3.16Å; I23-H164 WeakPolarHBondContact O-CB 3.37Å; I23-H164 PolarHBondContact O-CD2 3.31Å; T162-H164 PolarHBondContact O-N 3.43Å; H164-G168 PolarHBondContact O-N 3.06Å; H164-W228 AromaticContact NE2-CH2 3.53Å; H164-W228 AromaticContact NE2-CZ3 3.68Å |
| 165 | G | 89.1 | Confident | 85.3 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | 62.7 | -168.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T162 N167 G168 L169 | T162-G165 PolarHBondContact O-N 3Å; G165-N167 PolarHBondContact O-N 2.9Å; G165-G168 PolarHBondContact O-N 3.22Å; G165-L169 PolarHBondContact O-N 2.67Å |
| 166 | L | 90.2 | Very high | 86.1 | Confident | 126 Ų | 126 | 56.9 Ų | 56.9 | 66% | 0.66 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.1 | -27.7 | 177.6 | -69.1 | 174.1 | 0 | 0 | 0 | 112.5 | G168 L169 V170 | L166-G168 VanDerWaalsContact C-N 3.34Å; L166-G168 PolarHBondContact O-N 2.69Å; L166-L169 WeakPolarHBondContact O-CB 3.29Å; L166-L169 PolarHBondContact O-N 2.9Å; L166-V170 WeakPolarHBondContact O-CG2 3.44Å; L166-V170 PolarHBondContact O-N 2.89Å |
| 167 | N | 91.3 | Very high | 86.6 | Confident | 123 Ų | 123 | 58 Ų | 58 | 66% | 0.658 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 176.5 | -71.1 | -17.2 | 0 | 0 | 0 | 111.7 | G165 V170 N171 | G165-N167 PolarHBondContact O-N 2.9Å; N167-V170 PolarHBondContact O-N 3.38Å; N167-N171 VanDerWaalsContact O-CB 3.3Å; N167-N171 WeakPolarHBondContact O-CB 3.14Å; N167-N171 PolarHBondContact O-N 2.91Å; N167-N171 PolarHBondContact O-ND2 3.39Å |
| 168 | G | 90.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I23 H164 G165 L166 V170 N171 S172 | I23-G168 WeakPolarHBondContact CG2-O 3.48Å; I23-G168 WeakPolarHBondContact O-CA 3.46Å; H164-G168 PolarHBondContact O-N 3.06Å; G165-G168 PolarHBondContact O-N 3.22Å; L166-G168 VanDerWaalsContact C-N 3.34Å; L166-G168 PolarHBondContact O-N 2.69Å; G168-V170 PolarHBondContact O-N 2.57Å; G168-N171 PolarHBondContact O-N 3.21Å; G168-S172 WeakPolarHBondContact O-CB 3.31Å; G168-S172 PolarHBondContact O-N 2.98Å; G168-S172 PolarHBondContact O-OG 3.09Å |
| 169 | L | 92.2 | Very high | 87.9 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.2 | -51.3 | 174.8 | -179.8 | 157.8 | 0 | 0 | 0 | 111.3 | L30 L34 G165 L166 N171 S172 L173 | L30-L169 HydrophobicContact CB-CD1 3.84Å; L30-L169 HydrophobicContact CD1-CD1 3.88Å; L30-L169 HydrophobicContact CG-CD1 4.49Å; L34-L169 HydrophobicContact CD1-CD2 4.1Å; G165-L169 PolarHBondContact O-N 2.67Å; L166-L169 WeakPolarHBondContact O-CB 3.29Å; L166-L169 PolarHBondContact O-N 2.9Å; L169-N171 PolarHBondContact O-N 3.44Å; L169-S172 PolarHBondContact O-N 3.19Å; L169-S172 PolarHBondContact O-OG 3.31Å; L169-L173 PolarHBondContact O-N 3.49Å |
| 170 | V | 93.3 | Very high | 88.5 | Confident | 80 Ų | 80 | 53 Ų | 53 | 49% | 0.485 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | -177.9 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L166 N167 G168 S172 L173 | L166-V170 WeakPolarHBondContact O-CG2 3.44Å; L166-V170 PolarHBondContact O-N 2.89Å; N167-V170 PolarHBondContact O-N 3.38Å; G168-V170 PolarHBondContact O-N 2.57Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 3.36Å; V170-L173 VanDerWaalsContact O-CB 3.26Å; V170-L173 WeakPolarHBondContact O-CB 3.37Å; V170-L173 PolarHBondContact O-N 3.31Å |
| 171 | N | 92.6 | Very high | 88.3 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 178.8 | -71.9 | -14.7 | 0 | 0 | 0 | 112 | I23 N167 G168 L169 L173 L174 | I23-N171 HydrophobicContact CG2-CB 3.7Å; N167-N171 VanDerWaalsContact O-CB 3.3Å; N167-N171 WeakPolarHBondContact O-CB 3.14Å; N167-N171 PolarHBondContact O-N 2.91Å; N167-N171 PolarHBondContact O-ND2 3.39Å; G168-N171 PolarHBondContact O-N 3.21Å; L169-N171 PolarHBondContact O-N 3.44Å; N171-L173 PolarHBondContact O-N 3.28Å; N171-L174 PolarHBondContact O-N 2.81Å |
| 172 | S | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -21.9 | 176.8 | 74.5 | 0 | 0 | 0 | 0 | 113.2 | A24 A31 G168 L169 V170 L174 V175 V176 | A24-S172 WeakPolarHBondContact CB-OG 3.44Å; A31-S172 WeakPolarHBondContact CB-OG 3.48Å; G168-S172 WeakPolarHBondContact O-CB 3.31Å; G168-S172 PolarHBondContact O-N 2.98Å; G168-S172 PolarHBondContact O-OG 3.09Å; L169-S172 PolarHBondContact O-N 3.19Å; L169-S172 PolarHBondContact O-OG 3.31Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 3.36Å; S172-L174 PolarHBondContact O-N 3.4Å; S172-V175 PolarHBondContact O-N 2.71Å; S172-V175 VanDerWaalsContact O-N 3.14Å; S172-V176 WeakPolarHBondContact O-CG2 3.11Å; S172-V176 PolarHBondContact O-N 2.94Å |
| 173 | L | 91.8 | Very high | 87.2 | Confident | 37 Ų | 37 | 47.5 Ų | 47.5 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.3 | -32.2 | 175.4 | -69.7 | 169.5 | 0 | 0 | 0 | 112 | A31 L34 L169 V170 N171 V176 I177 | A31-L173 HydrophobicContact CB-CD2 3.96Å; A31-L173 HydrophobicContact CB-CG 4.42Å; A31-L173 WeakPolarHBondContact O-CD2 3.41Å; L34-L173 HydrophobicContact CB-CD2 3.87Å; L169-L173 PolarHBondContact O-N 3.49Å; V170-L173 VanDerWaalsContact O-CB 3.26Å; V170-L173 WeakPolarHBondContact O-CB 3.37Å; V170-L173 PolarHBondContact O-N 3.31Å; N171-L173 PolarHBondContact O-N 3.28Å; L173-V176 PolarHBondContact O-N 3.41Å; L173-I177 HydrophobicContact CB-CD1 4.45Å; L173-I177 VanDerWaalsContact O-CB 3.29Å; L173-I177 WeakPolarHBondContact O-CB 3.5Å; L173-I177 WeakPolarHBondContact O-CD1 3.34Å; L173-I177 WeakPolarHBondContact O-CG1 3.1Å; L173-I177 PolarHBondContact O-N 3.45Å |
| 174 | L | 90.6 | Very high | 86.6 | Confident | 129 Ų | 129 | 47.2 Ų | 47.2 | 68% | 0.675 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.9 | -47.4 | 177 | -65.1 | 176 | 0 | 0 | 0 | 111.3 | N171 S172 V176 Y178 | N171-L174 PolarHBondContact O-N 2.81Å; S172-L174 PolarHBondContact O-N 3.4Å; L174-V176 VanDerWaalsContact C-N 3.34Å; L174-Y178 WeakPolarHBondContact O-CB 3.36Å; L174-Y178 PolarHBondContact O-N 2.89Å |
| 175 | V | 87.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | G16 E19 A20 I23 S172 S179 | G16-V175 WeakPolarHBondContact O-CG1 3.34Å; E19-V175 HydrophobicContact CG-CG2 4.39Å; A20-V175 HydrophobicContact CB-CB 4.24Å; A20-V175 HydrophobicContact CB-CG1 3.97Å; I23-V175 HydrophobicContact CD1-CG2 3.9Å; S172-V175 PolarHBondContact O-N 2.71Å; S172-V175 VanDerWaalsContact O-N 3.14Å; V175-S179 WeakPolarHBondContact O-CB 3.36Å; V175-S179 PolarHBondContact O-N 2.98Å; V175-S179 PolarHBondContact O-OG 3.21Å |
| 176 | V | 88.6 | Confident | 85 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -48.6 | 177.4 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | A31 F32 S172 L173 L174 Y178 S179 Y180 | A31-V176 HydrophobicContact CB-CG2 3.93Å; F32-V176 HydrophobicContact CD1-CB 4.38Å; F32-V176 HydrophobicContact CD1-CG1 3.74Å; F32-V176 HydrophobicContact CD1-CG2 3.97Å; F32-V176 HydrophobicContact CD2-CG2 4.05Å; F32-V176 HydrophobicContact CE1-CB 4.39Å; F32-V176 HydrophobicContact CE1-CG1 4.15Å; F32-V176 HydrophobicContact CE1-CG2 3.91Å; F32-V176 HydrophobicContact CE2-CG2 3.98Å; F32-V176 HydrophobicContact CG-CG1 4.2Å; F32-V176 HydrophobicContact CG-CG2 4.03Å; F32-V176 HydrophobicContact CZ-CG2 3.93Å; S172-V176 WeakPolarHBondContact O-CG2 3.11Å; S172-V176 PolarHBondContact O-N 2.94Å; L173-V176 PolarHBondContact O-N 3.41Å; L174-V176 VanDerWaalsContact C-N 3.34Å; V176-Y178 VanDerWaalsContact C-N 3.3Å; V176-Y178 PolarHBondContact O-N 2.81Å; V176-S179 WeakPolarHBondContact O-CA 3.24Å; V176-S179 WeakPolarHBondContact O-CB 3.15Å; V176-S179 PolarHBondContact O-N 3.36Å; V176-S179 VanDerWaalsContact O-N 3.08Å; V176-Y180 HydrophobicContact CG1-CD2 4.06Å; V176-Y180 HydrophobicContact CG1-CE2 3.5Å; V176-Y180 PolarHBondContact O-N 3.44Å; V176-Y180 VanDerWaalsContact O-N 3.13Å |
| 177 | I | 87.8 | Confident | 83.9 | Confident | 84 Ų | 84 | 38.8 Ų | 38.8 | 43% | 0.431 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 179.4 | -71.3 | 165.3 | 0 | 0 | 0 | 109.7 | L173 S179 Y180 G181 | L173-I177 HydrophobicContact CB-CD1 4.45Å; L173-I177 VanDerWaalsContact O-CB 3.29Å; L173-I177 WeakPolarHBondContact O-CB 3.5Å; L173-I177 WeakPolarHBondContact O-CD1 3.34Å; L173-I177 WeakPolarHBondContact O-CG1 3.1Å; L173-I177 PolarHBondContact O-N 3.45Å; I177-S179 VanDerWaalsContact C-N 3.29Å; I177-S179 PolarHBondContact O-N 3.27Å; I177-Y180 PolarHBondContact O-N 3.38Å; I177-Y180 VanDerWaalsContact O-N 3.15Å; I177-G181 PolarHBondContact O-N 3.32Å |
| 178 | Y | 83.9 | Confident | 83 | Confident | 80 Ų | 80 | 33.6 Ų | 33.6 | 31% | 0.314 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.5 | -43 | 172.8 | 174.3 | -107.1 | 0 | 0 | 0 | 111.7 | N86 A89 L174 V176 Y180 G181 | N86-Y178 WeakPolarHBondContact OD1-CE2 3.43Å; N86-Y178 VanDerWaalsContact OD1-CZ 3.31Å; N86-Y178 PolarHBondContact OD1-OH 3.24Å; A89-Y178 VanDerWaalsContact CB-OH 3.26Å; A89-Y178 WeakPolarHBondContact CB-OH 3.38Å; L174-Y178 WeakPolarHBondContact O-CB 3.36Å; L174-Y178 PolarHBondContact O-N 2.89Å; V176-Y178 VanDerWaalsContact C-N 3.3Å; V176-Y178 PolarHBondContact O-N 2.81Å; Y178-Y180 PolarHBondContact O-N 3.14Å; Y178-G181 PolarHBondContact O-N 3.22Å |
| 179 | S | 80.8 | Confident | 82.2 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -20.8 | 179.2 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | G12 V175 V176 I177 Y215 | G12-S179 PolarHBondContact O-OG 2.73Å; V175-S179 WeakPolarHBondContact O-CB 3.36Å; V175-S179 PolarHBondContact O-N 2.98Å; V175-S179 PolarHBondContact O-OG 3.21Å; V176-S179 WeakPolarHBondContact O-CA 3.24Å; V176-S179 WeakPolarHBondContact O-CB 3.15Å; V176-S179 PolarHBondContact O-N 3.36Å; V176-S179 VanDerWaalsContact O-N 3.08Å; I177-S179 VanDerWaalsContact C-N 3.29Å; I177-S179 PolarHBondContact O-N 3.27Å; S179-Y215 WeakPolarHBondContact O-CE1 3.26Å; S179-Y215 PolarHBondContact O-OH 3.34Å |
| 180 | Y | 83.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -6.2 | 174.3 | -65.8 | -30.6 | 0 | 0 | 0 | 114.3 | F32 G35 G36 L39 V176 I177 Y178 S183 I211 Y215 | F32-Y180 WeakPolarHBondContact CA-OH 3.37Å; F32-Y180 WeakPolarHBondContact CB-OH 3.29Å; F32-Y180 AromaticContact CD1-CE1 3.99Å; F32-Y180 HydrophobicContact CD1-CE1 3.99Å; F32-Y180 AromaticContact CD1-CZ 3.72Å; F32-Y180 VanDerWaalsContact CD1-OH 3.31Å; F32-Y180 WeakPolarHBondContact CD1-OH 3.37Å; F32-Y180 HydrophobicContact CE1-CE1 4.44Å; F32-Y180 PolarHBondContact O-OH 3.44Å; G35-Y180 VanDerWaalsContact C-CE2 3.44Å; G36-Y180 VanDerWaalsContact N-CE2 3.3Å; L39-Y180 HydrophobicContact CD2-CG 4.48Å; V176-Y180 HydrophobicContact CG1-CD2 4.06Å; V176-Y180 HydrophobicContact CG1-CE2 3.5Å; V176-Y180 PolarHBondContact O-N 3.44Å; V176-Y180 VanDerWaalsContact O-N 3.13Å; I177-Y180 PolarHBondContact O-N 3.38Å; I177-Y180 VanDerWaalsContact O-N 3.15Å; Y178-Y180 PolarHBondContact O-N 3.14Å; Y180-S183 VanDerWaalsContact O-CB 3.24Å; Y180-S183 WeakPolarHBondContact O-CB 3.43Å; Y180-S183 PolarHBondContact O-N 2.92Å; Y180-S183 PolarHBondContact O-OG 2.91Å; Y180-I211 HydrophobicContact CD1-CD1 3.88Å; Y180-I211 HydrophobicContact CD1-CG1 3.8Å; Y180-I211 HydrophobicContact CD2-CD1 4.31Å; Y180-I211 HydrophobicContact CE1-CB 4.14Å; Y180-I211 HydrophobicContact CE1-CD1 3.93Å; Y180-I211 HydrophobicContact CE1-CG1 3.63Å; Y180-I211 HydrophobicContact CE1-CG2 3.62Å; Y180-I211 HydrophobicContact CE2-CD1 4.37Å; Y180-I211 HydrophobicContact CE2-CG2 4.44Å; Y180-I211 HydrophobicContact CG-CD1 4.06Å; Y180-I211 HydrophobicContact CG-CG1 4.47Å; Y180-I211 WeakPolarHBondContact OH-CG2 3.12Å; Y180-Y215 HydrophobicContact CD1-CD1 4.21Å; Y180-Y215 HydrophobicContact CD1-CD2 4.32Å; Y180-Y215 HydrophobicContact CD1-CE1 4.11Å; Y180-Y215 HydrophobicContact CD1-CE2 4.22Å; Y180-Y215 HydrophobicContact CD1-CG 4.3Å; Y180-Y215 AromaticContact CE1-CD1 3.83Å; Y180-Y215 HydrophobicContact CE1-CD1 3.83Å; Y180-Y215 AromaticContact CE1-CD2 3.91Å; Y180-Y215 HydrophobicContact CE1-CD2 3.91Å; Y180-Y215 HydrophobicContact CE1-CE1 4.2Å; Y180-Y215 HydrophobicContact CE1-CE2 4.27Å; Y180-Y215 AromaticContact CE1-CG 3.65Å; Y180-Y215 HydrophobicContact CE1-CG 3.65Å |
| 181 | G | 78.6 | Confident | 80.2 | Confident | 34 Ų | 34 | 33 Ų | 33 | 35% | 0.351 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 151 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I177 Y178 S183 | I177-G181 PolarHBondContact O-N 3.32Å; Y178-G181 PolarHBondContact O-N 3.22Å; G181-S183 PolarHBondContact O-N 3.47Å |
| 182 | G | 75.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -13.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E184 L185 | G182-E184 VanDerWaalsContact C-N 3.25Å; G182-E184 WeakPolarHBondContact CA-OE2 3.43Å; G182-E184 PolarHBondContact N-OE1 3.12Å; G182-E184 PolarHBondContact N-OE2 2.94Å; G182-E184 PolarHBondContact O-N 3.35Å; G182-L185 WeakPolarHBondContact O-CB 3.28Å; G182-L185 PolarHBondContact O-N 3.4Å |
| 183 | S | 75.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.8 | -26.8 | 175.1 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | Y180 G181 L185 I186 R210 | Y180-S183 VanDerWaalsContact O-CB 3.24Å; Y180-S183 WeakPolarHBondContact O-CB 3.43Å; Y180-S183 PolarHBondContact O-N 2.92Å; Y180-S183 PolarHBondContact O-OG 2.91Å; G181-S183 PolarHBondContact O-N 3.47Å; S183-L185 VanDerWaalsContact C-N 3.35Å; S183-I186 PolarHBondContact O-N 3.39Å; S183-R210 PolarHBondContact OG-NH1 3.48Å; S183-R210 VanDerWaalsContact OG-NH1 3.1Å; S183-R210 PolarHBondContact OG-NH2 3.39Å; S183-R210 VanDerWaalsContact OG-NH2 3.09Å |
| 184 | E | 75.1 | Confident | 77.9 | Confident | 34 Ų | 34 | 46 Ų | 46 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.2 | -29.2 | 173.6 | 76 | -66.8 | 162.1 | 0 | 0 | 112.9 | Y79 G182 I186 A187 I188 | Y79-E184 HydrophobicContact CE2-CG 4.47Å; Y79-E184 PolarHBondContact OH-OE1 3.33Å; G182-E184 VanDerWaalsContact C-N 3.25Å; G182-E184 WeakPolarHBondContact CA-OE2 3.43Å; G182-E184 PolarHBondContact N-OE1 3.12Å; G182-E184 PolarHBondContact N-OE2 2.94Å; G182-E184 PolarHBondContact O-N 3.35Å; E184-I186 PolarHBondContact O-N 3.5Å; E184-A187 WeakPolarHBondContact O-CB 3.49Å; E184-A187 PolarHBondContact O-N 2.96Å; E184-I188 PolarHBondContact O-N 3.48Å; E184-I188 VanDerWaalsContact O-N 3.12Å |
| 185 | L | 72.6 | Confident | 77.6 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 30% | 0.298 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.2 | -37.6 | 175.4 | -77.7 | 172.2 | 0 | 0 | 0 | 111.3 | Y79 W83 G182 S183 A187 I188 T189 | Y79-L185 HydrophobicContact CE1-CD2 4.47Å; Y79-L185 WeakPolarHBondContact OH-CD2 3.45Å; Y79-L185 WeakPolarHBondContact OH-CG 3.46Å; W83-L185 HydrophobicContact CH2-CD1 3.38Å; W83-L185 HydrophobicContact CH2-CG 4.29Å; W83-L185 HydrophobicContact CZ2-CD1 3.21Å; W83-L185 HydrophobicContact CZ2-CD2 4.36Å; W83-L185 HydrophobicContact CZ2-CG 3.66Å; W83-L185 HydrophobicContact CZ3-CD1 4.33Å; G182-L185 WeakPolarHBondContact O-CB 3.28Å; G182-L185 PolarHBondContact O-N 3.4Å; S183-L185 VanDerWaalsContact C-N 3.35Å; L185-A187 PolarHBondContact O-N 3.43Å; L185-I188 CarbonylContact O-C 3.58Å; L185-I188 PolarHBondContact O-N 2.86Å; L185-I188 VanDerWaalsContact O-N 3.13Å; L185-T189 PolarHBondContact O-N 2.66Å; L185-T189 PolarHBondContact O-OG1 2.98Å |
| 186 | I | 70.8 | Confident | 77.3 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 178.3 | -56.2 | 175.1 | 0 | 0 | 0 | 110 | A4 S183 E184 V190 A203 V207 | A4-I186 HydrophobicContact CB-CG1 3.99Å; A4-I186 HydrophobicContact CB-CG2 4.48Å; A4-I186 WeakPolarHBondContact O-CG1 3.27Å; S183-I186 PolarHBondContact O-N 3.39Å; E184-I186 PolarHBondContact O-N 3.5Å; I186-V190 HydrophobicContact CG2-CG2 4.3Å; I186-V190 WeakPolarHBondContact O-CB 3.25Å; I186-V190 WeakPolarHBondContact O-CG2 3.46Å; I186-V190 PolarHBondContact O-N 3.26Å; I186-A203 HydrophobicContact CG2-CB 3.76Å; I186-V207 HydrophobicContact CD1-CG2 3.85Å |
| 187 | A | 67.9 | Low | 77.2 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M43 L46 E184 L185 V190 S191 | M43-A187 HydrophobicContact CE-CB 4.11Å; L46-A187 HydrophobicContact CD2-CB 4Å; E184-A187 WeakPolarHBondContact O-CB 3.49Å; E184-A187 PolarHBondContact O-N 2.96Å; L185-A187 PolarHBondContact O-N 3.43Å; A187-V190 PolarHBondContact O-N 2.84Å; A187-S191 PolarHBondContact O-N 2.96Å; A187-S191 VanDerWaalsContact O-N 3.08Å |
| 188 | I | 71.7 | Confident | 77.1 | Confident | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -50.7 | 176.5 | -60 | 169.6 | 0 | 0 | 0 | 110.5 | L46 L59 E184 L185 V190 S191 | L46-I188 HydrophobicContact CD2-CG1 4.44Å; L59-I188 HydrophobicContact CB-CD1 4.18Å; E184-I188 PolarHBondContact O-N 3.48Å; E184-I188 VanDerWaalsContact O-N 3.12Å; L185-I188 CarbonylContact O-C 3.58Å; L185-I188 PolarHBondContact O-N 2.86Å; L185-I188 VanDerWaalsContact O-N 3.13Å; I188-V190 PolarHBondContact O-N 3.05Å; I188-S191 VanDerWaalsContact O-CB 3.23Å; I188-S191 WeakPolarHBondContact O-CB 3.33Å; I188-S191 PolarHBondContact O-N 3.45Å; I188-S191 PolarHBondContact O-OG 2.84Å |
| 189 | T | 73.9 | Confident | 77.2 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 42% | 0.423 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -33.1 | 178.6 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | L185 S191 E192 | L185-T189 PolarHBondContact O-N 2.66Å; L185-T189 PolarHBondContact O-OG1 2.98Å; T189-S191 VanDerWaalsContact C-N 3.31Å; T189-E192 PolarHBondContact O-N 3.46Å |
| 190 | V | 73 | Confident | 77.5 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.4 | -23.2 | 178.4 | 171.4 | 0 | 0 | 0 | 0 | 112.3 | M1 I186 A187 I188 E192 T193 A199 I200 A203 | M1-V190 HydrophobicContact CE-CG2 3.93Å; I186-V190 HydrophobicContact CG2-CG2 4.3Å; I186-V190 WeakPolarHBondContact O-CB 3.25Å; I186-V190 WeakPolarHBondContact O-CG2 3.46Å; I186-V190 PolarHBondContact O-N 3.26Å; A187-V190 PolarHBondContact O-N 2.84Å; I188-V190 PolarHBondContact O-N 3.05Å; V190-E192 PolarHBondContact O-N 3.46Å; V190-T193 WeakPolarHBondContact O-CB 3.27Å; V190-T193 PolarHBondContact O-N 3.41Å; V190-T193 VanDerWaalsContact O-N 3.16Å; V190-T193 PolarHBondContact O-OG1 3.05Å; V190-A199 HydrophobicContact CG1-CB 3.14Å; V190-I200 HydrophobicContact CG1-CG1 4.06Å; V190-A203 HydrophobicContact CG2-CB 4.21Å |
| 191 | S | 70.7 | Confident | 77.7 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -27.2 | 171.3 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | V56 A187 I188 T189 T193 | V56-S191 VanDerWaalsContact CG1-OG 3.24Å; V56-S191 WeakPolarHBondContact CG1-OG 3.47Å; A187-S191 PolarHBondContact O-N 2.96Å; A187-S191 VanDerWaalsContact O-N 3.08Å; I188-S191 VanDerWaalsContact O-CB 3.23Å; I188-S191 WeakPolarHBondContact O-CB 3.33Å; I188-S191 PolarHBondContact O-N 3.45Å; I188-S191 PolarHBondContact O-OG 2.84Å; T189-S191 VanDerWaalsContact C-N 3.31Å; S191-T193 VanDerWaalsContact C-N 3.3Å; S191-T193 PolarHBondContact O-N 3.32Å |
| 192 | E | 74.5 | Confident | 78 | Confident | 135 Ų | 135 | 55.5 Ų | 55.5 | 63% | 0.631 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.5 | 179.4 | -58.9 | 179 | 173.3 | 0 | 0 | 112.9 | T189 V190 | T189-E192 PolarHBondContact O-N 3.46Å; V190-E192 PolarHBondContact O-N 3.46Å |
| 193 | T | 76.6 | Confident | 78.5 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 37% | 0.368 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -82.9 | 159 | 177.6 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | V190 S191 N195 P196 | V190-T193 WeakPolarHBondContact O-CB 3.27Å; V190-T193 PolarHBondContact O-N 3.41Å; V190-T193 VanDerWaalsContact O-N 3.16Å; V190-T193 PolarHBondContact O-OG1 3.05Å; S191-T193 VanDerWaalsContact C-N 3.3Å; S191-T193 PolarHBondContact O-N 3.32Å; T193-N195 PolarHBondContact O-N 3.46Å; T193-P196 WeakPolarHBondContact O-CD 3.36Å |
| 194 | E | 76.8 | Confident | 79 | Confident | 207 Ų | 207 | 56.1 Ų | 56.1 | 97% | 0.967 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -59.5 | -21.4 | 179.7 | -63.4 | 179.9 | 172.1 | 0 | 0 | 114.1 | ||
| 195 | N | 83.4 | Confident | 79.6 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | trans | -138.4 | 70.7 | -177.8 | -164.1 | -23.4 | 0 | 0 | 0 | 112.5 | T193 K197 T198 A199 | T193-N195 PolarHBondContact O-N 3.46Å; N195-K197 PolarHBondContact O-N 3.46Å; N195-T198 PolarHBondContact O-N 3.08Å; N195-T198 PolarHBondContact O-OG1 3.45Å; N195-T198 PolarHBondContact OD1-N 2.94Å; N195-T198 PolarHBondContact OD1-OG1 3.3Å; N195-A199 WeakPolarHBondContact O-CB 3.42Å; N195-A199 PolarHBondContact O-N 3.36Å; N195-A199 VanDerWaalsContact O-N 3.1Å | ||
| 196 | P | 83.2 | Confident | 80.1 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 23% | 0.234 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -31.5 | -175.6 | 25.9 | -33.2 | 0 | 0 | 0 | 111.8 | L51 T193 T198 A199 I200 | L51-P196 HydrophobicContact CD2-CB 4.05Å; L51-P196 HydrophobicContact CD2-CG 4.22Å; T193-P196 WeakPolarHBondContact O-CD 3.36Å; P196-T198 PolarHBondContact O-N 3.13Å; P196-A199 PolarHBondContact O-N 3.4Å; P196-I200 HydrophobicContact CB-CD1 4.01Å; P196-I200 HydrophobicContact CB-CG1 4.48Å; P196-I200 WeakPolarHBondContact O-CB 3.28Å; P196-I200 VanDerWaalsContact O-CG1 3.27Å; P196-I200 WeakPolarHBondContact O-CG1 3.38Å; P196-I200 PolarHBondContact O-N 3.32Å |
| 197 | K | 84.8 | Confident | 80.7 | Confident | 153 Ų | 153 | 61.1 Ų | 61.1 | 67% | 0.665 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -55.5 | -36.5 | 178.3 | -72.5 | -177.9 | -179.7 | -178.8 | 0 | 113.3 | L51 N195 P201 | L51-K197 HydrophobicContact CD2-CB 4.29Å; L51-K197 HydrophobicContact CD2-CG 3.63Å; N195-K197 PolarHBondContact O-N 3.46Å; K197-P201 VanDerWaalsContact O-CD 3.27Å; K197-P201 WeakPolarHBondContact O-CD 3.41Å; K197-P201 WeakPolarHBondContact O-CG 3.29Å |
| 198 | T | 86.5 | Confident | 81.6 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -96.4 | -30.5 | 178.6 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | N195 P196 K202 | N195-T198 PolarHBondContact O-N 3.08Å; N195-T198 PolarHBondContact O-OG1 3.45Å; N195-T198 PolarHBondContact OD1-N 2.94Å; N195-T198 PolarHBondContact OD1-OG1 3.3Å; P196-T198 PolarHBondContact O-N 3.13Å; T198-K202 WeakPolarHBondContact O-CG 3.38Å |
| 199 | A | 86.3 | Confident | 82.1 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -79.3 | -36.2 | -173 | 0 | 0 | 0 | 0 | 0 | 111.8 | V190 N195 P196 K202 A203 | V190-A199 HydrophobicContact CG1-CB 3.14Å; N195-A199 WeakPolarHBondContact O-CB 3.42Å; N195-A199 PolarHBondContact O-N 3.36Å; N195-A199 VanDerWaalsContact O-N 3.1Å; P196-A199 PolarHBondContact O-N 3.4Å; A199-K202 WeakPolarHBondContact O-CB 3.29Å; A199-K202 PolarHBondContact O-N 3.04Å; A199-A203 WeakPolarHBondContact O-CB 3.47Å; A199-A203 PolarHBondContact O-N 2.85Å |
| 200 | I | 86.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -52.3 | 178.4 | -68.2 | 166.9 | 0 | 0 | 0 | 111.8 | V50 L51 V190 P196 K202 A203 I204 | V50-I200 HydrophobicContact CB-CD1 3.97Å; V50-I200 HydrophobicContact CG1-CD1 3.42Å; V50-I200 VanDerWaalsContact CG1-CD1 3.42Å; L51-I200 HydrophobicContact CD2-CD1 3.9Å; L51-I200 HydrophobicContact CG-CD1 3.95Å; V190-I200 HydrophobicContact CG1-CG1 4.06Å; P196-I200 HydrophobicContact CB-CD1 4.01Å; P196-I200 HydrophobicContact CB-CG1 4.48Å; P196-I200 WeakPolarHBondContact O-CB 3.28Å; P196-I200 VanDerWaalsContact O-CG1 3.27Å; P196-I200 WeakPolarHBondContact O-CG1 3.38Å; P196-I200 PolarHBondContact O-N 3.32Å; I200-K202 PolarHBondContact O-N 3.45Å; I200-A203 WeakPolarHBondContact O-CB 3.44Å; I200-A203 PolarHBondContact O-N 2.83Å; I200-I204 HydrophobicContact CG2-CD1 3.95Å; I200-I204 HydrophobicContact CG2-CG1 4.41Å; I200-I204 WeakPolarHBondContact O-CG1 3.32Å; I200-I204 PolarHBondContact O-N 3.38Å |
| 201 | P | 87.6 | Confident | 82.7 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.7 | -34.1 | 177.5 | -25.1 | 35 | 0 | 0 | 0 | 113.3 | K197 K205 | K197-P201 VanDerWaalsContact O-CD 3.27Å; K197-P201 WeakPolarHBondContact O-CD 3.41Å; K197-P201 WeakPolarHBondContact O-CG 3.29Å; P201-K205 WeakPolarHBondContact O-CG 3.38Å; P201-K205 PolarHBondContact O-N 2.97Å |
| 202 | K | 86.1 | Confident | 83.3 | Confident | 139 Ų | 139 | 64.4 Ų | 64.4 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | 174.7 | -72.9 | 177.3 | -179.5 | 178 | 0 | 111.5 | M1 T198 A199 I200 K205 G206 | M1-K202 HydrophobicContact CE-CB 4.49Å; T198-K202 WeakPolarHBondContact O-CG 3.38Å; A199-K202 WeakPolarHBondContact O-CB 3.29Å; A199-K202 PolarHBondContact O-N 3.04Å; I200-K202 PolarHBondContact O-N 3.45Å; K202-K205 PolarHBondContact O-N 3.39Å; K202-G206 PolarHBondContact O-N 2.92Å |
| 203 | A | 84.1 | Confident | 83.3 | Confident | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 I186 V190 A199 I200 K205 G206 V207 | M1-A203 HydrophobicContact CE-CB 4.44Å; I186-A203 HydrophobicContact CG2-CB 3.76Å; V190-A203 HydrophobicContact CG2-CB 4.21Å; A199-A203 WeakPolarHBondContact O-CB 3.47Å; A199-A203 PolarHBondContact O-N 2.85Å; I200-A203 WeakPolarHBondContact O-CB 3.44Å; I200-A203 PolarHBondContact O-N 2.83Å; A203-K205 PolarHBondContact O-N 2.91Å; A203-G206 PolarHBondContact O-N 3.44Å; A203-G206 VanDerWaalsContact O-N 3.16Å; A203-V207 WeakPolarHBondContact O-CG2 3.33Å; A203-V207 PolarHBondContact O-N 3.45Å |
| 204 | I | 87.4 | Confident | 83.1 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 177.6 | -62.1 | 174.8 | 0 | 0 | 0 | 110.5 | F40 M43 I200 G206 V207 M208 | F40-I204 HydrophobicContact CD2-CG2 3.96Å; F40-I204 HydrophobicContact CE2-CG2 4Å; M43-I204 HydrophobicContact CB-CD1 4.27Å; M43-I204 HydrophobicContact CB-CG1 4.04Å; M43-I204 HydrophobicContact CB-CG2 4.48Å; M43-I204 HydrophobicContact CE-CG1 3.96Å; I200-I204 HydrophobicContact CG2-CD1 3.95Å; I200-I204 HydrophobicContact CG2-CG1 4.41Å; I200-I204 WeakPolarHBondContact O-CG1 3.32Å; I200-I204 PolarHBondContact O-N 3.38Å; I204-G206 VanDerWaalsContact C-N 3.3Å; I204-G206 PolarHBondContact O-N 3.33Å; I204-V207 PolarHBondContact O-N 3.45Å; I204-M208 HydrophobicContact CG2-CG 4.47Å; I204-M208 WeakPolarHBondContact O-CG 3.25Å; I204-M208 PolarHBondContact O-N 2.7Å |
| 205 | K | 87.4 | Confident | 83.2 | Confident | 165 Ų | 165 | 48.8 Ų | 48.8 | 72% | 0.717 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.6 | -40.8 | 176.3 | -74.5 | -177.6 | 179.2 | -174.7 | 0 | 112.1 | P201 K202 A203 M208 G209 | P201-K205 WeakPolarHBondContact O-CG 3.38Å; P201-K205 PolarHBondContact O-N 2.97Å; K202-K205 PolarHBondContact O-N 3.39Å; A203-K205 PolarHBondContact O-N 2.91Å; K205-M208 PolarHBondContact O-N 3.44Å; K205-G209 PolarHBondContact O-N 3.22Å |
| 206 | G | 82.8 | Confident | 83.2 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K202 A203 I204 G209 R210 | K202-G206 PolarHBondContact O-N 2.92Å; A203-G206 PolarHBondContact O-N 3.44Å; A203-G206 VanDerWaalsContact O-N 3.16Å; I204-G206 VanDerWaalsContact C-N 3.3Å; I204-G206 PolarHBondContact O-N 3.33Å; G206-G209 PolarHBondContact O-N 3.09Å; G206-R210 WeakPolarHBondContact O-CB 3.27Å; G206-R210 PolarHBondContact O-N 3Å |
| 207 | V | 83.5 | Confident | 83 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L39 M43 I186 A203 I204 G209 R210 I211 | L39-V207 HydrophobicContact CD2-CG1 3.82Å; M43-V207 HydrophobicContact CE-CB 4.07Å; M43-V207 HydrophobicContact CE-CG1 4.39Å; M43-V207 HydrophobicContact CE-CG2 3.74Å; M43-V207 HydrophobicContact SD-CB 3.88Å; M43-V207 HydrophobicContact SD-CG1 3.66Å; M43-V207 HydrophobicContact SD-CG2 4.13Å; I186-V207 HydrophobicContact CD1-CG2 3.85Å; A203-V207 WeakPolarHBondContact O-CG2 3.33Å; A203-V207 PolarHBondContact O-N 3.45Å; I204-V207 PolarHBondContact O-N 3.45Å; V207-G209 VanDerWaalsContact C-N 3.32Å; V207-G209 PolarHBondContact O-N 2.91Å; V207-R210 CarbonylContact O-C 3.6Å; V207-R210 WeakPolarHBondContact O-CA 3.31Å; V207-R210 WeakPolarHBondContact O-CB 3.44Å; V207-R210 PolarHBondContact O-N 3.45Å; V207-R210 VanDerWaalsContact O-N 3.07Å; V207-I211 HydrophobicContact CG1-CD1 4.04Å; V207-I211 HydrophobicContact CG1-CG1 4.48Å; V207-I211 WeakPolarHBondContact O-CG1 3.29Å; V207-I211 PolarHBondContact O-N 3.48Å |
| 208 | M | 87.7 | Confident | 82.6 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.9 | -64.3 | -55.6 | 129.3 | 0 | 0 | 111.8 | L39 F40 M43 I204 K205 R210 I211 I212 | L39-M208 HydrophobicContact CD2-CE 4.17Å; L39-M208 HydrophobicContact CG-CE 4.31Å; F40-M208 HydrophobicContact CB-CE 3.78Å; F40-M208 HydrophobicContact CB-SD 3.76Å; F40-M208 HydrophobicContact CD2-CE 4.13Å; F40-M208 HydrophobicContact CD2-CG 3.82Å; F40-M208 HydrophobicContact CD2-SD 3.93Å; F40-M208 HydrophobicContact CG-CE 4.48Å; F40-M208 HydrophobicContact CG-SD 4.3Å; M43-M208 HydrophobicContact SD-CE 3.92Å; I204-M208 HydrophobicContact CG2-CG 4.47Å; I204-M208 WeakPolarHBondContact O-CG 3.25Å; I204-M208 PolarHBondContact O-N 2.7Å; K205-M208 PolarHBondContact O-N 3.44Å; M208-R210 VanDerWaalsContact C-N 3.3Å; M208-R210 PolarHBondContact O-N 3.26Å; M208-I211 HydrophobicContact CE-CD1 4.45Å; M208-I211 PolarHBondContact O-N 3.17Å; M208-I212 WeakPolarHBondContact O-CG1 3.43Å; M208-I212 PolarHBondContact O-N 2.8Å |
| 209 | G | 82 | Confident | 82.3 | Confident | 36 Ų | 36 | 36 Ų | 36 | 37% | 0.371 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K205 G206 V207 I212 S213 | K205-G209 PolarHBondContact O-N 3.22Å; G206-G209 PolarHBondContact O-N 3.09Å; V207-G209 VanDerWaalsContact C-N 3.32Å; V207-G209 PolarHBondContact O-N 2.91Å; G209-I212 PolarHBondContact O-N 2.95Å; G209-S213 WeakPolarHBondContact O-CB 3.42Å; G209-S213 PolarHBondContact O-N 3.32Å; G209-S213 PolarHBondContact O-OG 3.43Å |
| 210 | R | 76.2 | Confident | 82.1 | Confident | 8 Ų | 8 | 37 Ų | 37 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 175 | -163.5 | -179.8 | 107.5 | -119.7 | -6.1 | 111.5 | A8 I9 S183 G206 V207 M208 I212 S213 F214 | A8-R210 VanDerWaalsContact CB-NH2 3.31Å; A8-R210 PolarHBondContact O-NH2 2.87Å; I9-R210 HydrophobicContact CD1-CG 4.39Å; I9-R210 HydrophobicContact CG1-CG 4.45Å; S183-R210 PolarHBondContact OG-NH1 3.48Å; S183-R210 VanDerWaalsContact OG-NH1 3.1Å; S183-R210 PolarHBondContact OG-NH2 3.39Å; S183-R210 VanDerWaalsContact OG-NH2 3.09Å; G206-R210 WeakPolarHBondContact O-CB 3.27Å; G206-R210 PolarHBondContact O-N 3Å; V207-R210 CarbonylContact O-C 3.6Å; V207-R210 WeakPolarHBondContact O-CA 3.31Å; V207-R210 WeakPolarHBondContact O-CB 3.44Å; V207-R210 PolarHBondContact O-N 3.45Å; V207-R210 VanDerWaalsContact O-N 3.07Å; M208-R210 VanDerWaalsContact C-N 3.3Å; M208-R210 PolarHBondContact O-N 3.26Å; R210-I212 PolarHBondContact O-N 3.19Å; R210-S213 PolarHBondContact O-N 3.37Å; R210-S213 PolarHBondContact O-OG 3.4Å; R210-F214 HydrophobicContact CB-CD2 4.34Å; R210-F214 HydrophobicContact CG-CD2 3.48Å; R210-F214 VanDerWaalsContact CG-CD2 3.48Å; R210-F214 HydrophobicContact CG-CE2 4.08Å; R210-F214 HydrophobicContact CG-CG 4.27Å; R210-F214 VanDerWaalsContact O-CB 3.28Å; R210-F214 WeakPolarHBondContact O-CB 3.09Å; R210-F214 WeakPolarHBondContact O-CD2 3.37Å; R210-F214 PolarHBondContact O-N 3.36Å |
| 211 | I | 82.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 179.4 | -74 | 175.2 | 0 | 0 | 0 | 111.5 | L39 Y180 V207 M208 Y215 I216 | L39-I211 HydrophobicContact CD2-CD1 3.33Å; Y180-I211 HydrophobicContact CD1-CD1 3.88Å; Y180-I211 HydrophobicContact CD1-CG1 3.8Å; Y180-I211 HydrophobicContact CD2-CD1 4.31Å; Y180-I211 HydrophobicContact CE1-CB 4.14Å; Y180-I211 HydrophobicContact CE1-CD1 3.93Å; Y180-I211 HydrophobicContact CE1-CG1 3.63Å; Y180-I211 HydrophobicContact CE1-CG2 3.62Å; Y180-I211 HydrophobicContact CE2-CD1 4.37Å; Y180-I211 HydrophobicContact CE2-CG2 4.44Å; Y180-I211 HydrophobicContact CG-CD1 4.06Å; Y180-I211 HydrophobicContact CG-CG1 4.47Å; Y180-I211 WeakPolarHBondContact OH-CG2 3.12Å; V207-I211 HydrophobicContact CG1-CD1 4.04Å; V207-I211 HydrophobicContact CG1-CG1 4.48Å; V207-I211 WeakPolarHBondContact O-CG1 3.29Å; V207-I211 PolarHBondContact O-N 3.48Å; M208-I211 HydrophobicContact CE-CD1 4.45Å; M208-I211 PolarHBondContact O-N 3.17Å; I211-Y215 WeakPolarHBondContact O-CA 3.43Å; I211-Y215 VanDerWaalsContact O-CB 3.32Å; I211-Y215 WeakPolarHBondContact O-CB 3.21Å; I211-Y215 PolarHBondContact O-N 3.05Å; I211-I216 HydrophobicContact CG2-CD1 4.04Å; I211-I216 HydrophobicContact CG2-CG1 4.35Å; I211-I216 PolarHBondContact O-N 3.34Å; I211-I216 VanDerWaalsContact O-N 3.12Å |
| 212 | I | 82.3 | Confident | 81 | Confident | 92 Ų | 92 | 34.6 Ų | 34.6 | 47% | 0.472 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -63.6 | -50.4 | 179.4 | -65.2 | 165.7 | 0 | 0 | 0 | 110.3 | M208 G209 R210 I216 V217 | M208-I212 WeakPolarHBondContact O-CG1 3.43Å; M208-I212 PolarHBondContact O-N 2.8Å; G209-I212 PolarHBondContact O-N 2.95Å; R210-I212 PolarHBondContact O-N 3.19Å; I212-I216 HydrophobicContact CG1-CD1 4.22Å; I212-I216 PolarHBondContact O-N 3.49Å; I212-V217 HydrophobicContact CG2-CG2 4.14Å; I212-V217 WeakPolarHBondContact O-CB 3.15Å; I212-V217 VanDerWaalsContact O-CG2 3.27Å; I212-V217 WeakPolarHBondContact O-CG2 3.4Å; I212-V217 PolarHBondContact O-N 3Å |
| 213 | S | 74.6 | Confident | 80.8 | Confident | 42 Ų | 42 | 28.2 Ų | 28.2 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -72.9 | -34.1 | -173.7 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | G209 R210 P218 | G209-S213 WeakPolarHBondContact O-CB 3.42Å; G209-S213 PolarHBondContact O-N 3.32Å; G209-S213 PolarHBondContact O-OG 3.43Å; R210-S213 PolarHBondContact O-N 3.37Å; R210-S213 PolarHBondContact O-OG 3.4Å; S213-P218 VanDerWaalsContact O-CD 3.25Å; S213-P218 WeakPolarHBondContact O-CD 3.39Å; S213-P218 VanDerWaalsContact O-CG 3.25Å; S213-P218 WeakPolarHBondContact O-CG 3.36Å |
| 214 | F | 72.8 | Confident | 80.5 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 13% | 0.132 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -99.9 | -28.6 | -174.8 | -74.4 | -83.4 | 0 | 0 | 0 | 114.6 | I9 L13 F129 T132 R210 P218 | I9-F214 HydrophobicContact CD1-CD1 3.68Å; I9-F214 HydrophobicContact CD1-CD2 4.01Å; I9-F214 HydrophobicContact CD1-CE1 3.6Å; I9-F214 HydrophobicContact CD1-CE2 4Å; I9-F214 HydrophobicContact CD1-CG 3.88Å; I9-F214 HydrophobicContact CD1-CZ 3.81Å; L13-F214 WeakPolarHBondContact CD1-O 3.31Å; L13-F214 HydrophobicContact CD2-CB 4.2Å; L13-F214 HydrophobicContact CD2-CD1 4.48Å; F129-F214 HydrophobicContact CD1-CZ 4.22Å; F129-F214 HydrophobicContact CE1-CE1 4.2Å; F129-F214 AromaticContact CE1-CE2 3.7Å; F129-F214 HydrophobicContact CE1-CE2 3.7Å; F129-F214 AromaticContact CE1-CZ 3.15Å; F129-F214 HydrophobicContact CE1-CZ 3.15Å; F129-F214 HydrophobicContact CE2-CE1 4.35Å; F129-F214 HydrophobicContact CE2-CE2 4.28Å; F129-F214 AromaticContact CE2-CZ 3.77Å; F129-F214 HydrophobicContact CE2-CZ 3.77Å; F129-F214 HydrophobicContact CZ-CD2 4.41Å; F129-F214 AromaticContact CZ-CE1 3.84Å; F129-F214 HydrophobicContact CZ-CE1 3.84Å; F129-F214 AromaticContact CZ-CE2 3.24Å; F129-F214 HydrophobicContact CZ-CE2 3.24Å; F129-F214 AromaticContact CZ-CZ 2.89Å; F129-F214 HydrophobicContact CZ-CZ 2.89Å; T132-F214 HydrophobicContact CG2-CD1 3.72Å; T132-F214 HydrophobicContact CG2-CD2 4.1Å; T132-F214 HydrophobicContact CG2-CE1 3.16Å; T132-F214 HydrophobicContact CG2-CE2 3.54Å; T132-F214 HydrophobicContact CG2-CG 4.15Å; T132-F214 HydrophobicContact CG2-CZ 2.99Å; T132-F214 WeakPolarHBondContact OG1-CZ 3.29Å; R210-F214 HydrophobicContact CB-CD2 4.34Å; R210-F214 HydrophobicContact CG-CD2 3.48Å; R210-F214 VanDerWaalsContact CG-CD2 3.48Å; R210-F214 HydrophobicContact CG-CE2 4.08Å; R210-F214 HydrophobicContact CG-CG 4.27Å; R210-F214 VanDerWaalsContact O-CB 3.28Å; R210-F214 WeakPolarHBondContact O-CB 3.09Å; R210-F214 WeakPolarHBondContact O-CD2 3.37Å; R210-F214 PolarHBondContact O-N 3.36Å; F214-P218 WeakPolarHBondContact O-CG 3.42Å |
| 215 | Y | 78.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -108 | -58.9 | -176 | -60.6 | -102.2 | 0 | 0 | 0 | 110.2 | L13 F32 S179 Y180 I211 M219 | L13-Y215 HydrophobicContact CB-CD1 4.38Å; L13-Y215 HydrophobicContact CB-CE1 3.79Å; L13-Y215 HydrophobicContact CD1-CD1 3.28Å; L13-Y215 HydrophobicContact CD1-CD2 4.31Å; L13-Y215 HydrophobicContact CD1-CE1 3.59Å; L13-Y215 HydrophobicContact CD1-CG 3.71Å; L13-Y215 HydrophobicContact CG-CD1 4.38Å; L13-Y215 HydrophobicContact CG-CE1 4.23Å; F32-Y215 HydrophobicContact CD1-CD1 4.17Å; F32-Y215 HydrophobicContact CD1-CG 4.37Å; F32-Y215 AromaticContact CE1-CD1 3.61Å; F32-Y215 HydrophobicContact CE1-CD1 3.61Å; F32-Y215 HydrophobicContact CE1-CG 4.23Å; F32-Y215 HydrophobicContact CZ-CD1 4.48Å; S179-Y215 WeakPolarHBondContact O-CE1 3.26Å; S179-Y215 PolarHBondContact O-OH 3.34Å; Y180-Y215 HydrophobicContact CD1-CD1 4.21Å; Y180-Y215 HydrophobicContact CD1-CD2 4.32Å; Y180-Y215 HydrophobicContact CD1-CE1 4.11Å; Y180-Y215 HydrophobicContact CD1-CE2 4.22Å; Y180-Y215 HydrophobicContact CD1-CG 4.3Å; Y180-Y215 AromaticContact CE1-CD1 3.83Å; Y180-Y215 HydrophobicContact CE1-CD1 3.83Å; Y180-Y215 AromaticContact CE1-CD2 3.91Å; Y180-Y215 HydrophobicContact CE1-CD2 3.91Å; Y180-Y215 HydrophobicContact CE1-CE1 4.2Å; Y180-Y215 HydrophobicContact CE1-CE2 4.27Å; Y180-Y215 AromaticContact CE1-CG 3.65Å; Y180-Y215 HydrophobicContact CE1-CG 3.65Å; I211-Y215 WeakPolarHBondContact O-CA 3.43Å; I211-Y215 VanDerWaalsContact O-CB 3.32Å; I211-Y215 WeakPolarHBondContact O-CB 3.21Å; I211-Y215 PolarHBondContact O-N 3.05Å; Y215-M219 WeakPolarHBondContact O-CB 3.41Å; Y215-M219 PolarHBondContact O-N 2.69Å |
| 216 | I | 85 | Confident | 79 | Confident | 21 Ų | 21 | 24.9 Ų | 24.9 | 11% | 0.108 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -70.8 | -53.1 | -170.5 | -58.8 | 173.7 | 0 | 0 | 0 | 111.5 | F32 L33 I211 I212 M219 V220 | F32-I216 HydrophobicContact CB-CG1 3.98Å; L33-I216 HydrophobicContact CD2-CD1 3.7Å; L33-I216 HydrophobicContact CG-CD1 4.19Å; I211-I216 HydrophobicContact CG2-CD1 4.04Å; I211-I216 HydrophobicContact CG2-CG1 4.35Å; I211-I216 PolarHBondContact O-N 3.34Å; I211-I216 VanDerWaalsContact O-N 3.12Å; I212-I216 HydrophobicContact CG1-CD1 4.22Å; I212-I216 PolarHBondContact O-N 3.49Å; I216-M219 PolarHBondContact O-N 2.85Å; I216-V220 HydrophobicContact CG2-CG2 4.42Å; I216-V220 VanDerWaalsContact O-CG2 3.29Å; I216-V220 WeakPolarHBondContact O-CG2 3.3Å; I216-V220 PolarHBondContact O-N 3.06Å |
| 217 | V | 79.2 | Confident | 78.9 | Confident | 41 Ų | 41 | 28.4 Ų | 28.4 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -49.2 | -177.8 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | V139 I212 M219 V220 L221 | V139-V217 HydrophobicContact CG2-CG1 3.36Å; I212-V217 HydrophobicContact CG2-CG2 4.14Å; I212-V217 WeakPolarHBondContact O-CB 3.15Å; I212-V217 VanDerWaalsContact O-CG2 3.27Å; I212-V217 WeakPolarHBondContact O-CG2 3.4Å; I212-V217 PolarHBondContact O-N 3Å; V217-M219 VanDerWaalsContact C-N 3.34Å; V217-M219 PolarHBondContact O-N 3.22Å; V217-V220 PolarHBondContact O-N 3.45Å; V217-L221 WeakPolarHBondContact O-CG 3.33Å; V217-L221 PolarHBondContact O-N 3.09Å; V217-L221 VanDerWaalsContact O-N 3.08Å |
| 218 | P | 74.7 | Confident | 78.8 | Confident | 7 Ų | 7 | 30 Ų | 30 | 5% | 0.045 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.4 | -27.2 | -179.5 | -18.8 | 36.3 | 0 | 0 | 0 | 112.8 | S213 F214 L221 L222 F239 | S213-P218 VanDerWaalsContact O-CD 3.25Å; S213-P218 WeakPolarHBondContact O-CD 3.39Å; S213-P218 VanDerWaalsContact O-CG 3.25Å; S213-P218 WeakPolarHBondContact O-CG 3.36Å; F214-P218 WeakPolarHBondContact O-CG 3.42Å; P218-L221 WeakPolarHBondContact O-CB 3.48Å; P218-L221 PolarHBondContact O-N 3.39Å; P218-L222 VanDerWaalsContact O-CG 3.28Å; P218-L222 WeakPolarHBondContact O-CG 3.48Å; P218-L222 PolarHBondContact O-N 3.27Å; P218-F239 HydrophobicContact CB-CE1 3.39Å; P218-F239 HydrophobicContact CB-CZ 3.74Å |
| 219 | M | 81.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 171.7 | -175.3 | 62.9 | 56.6 | 0 | 0 | 112 | S17 I21 V28 I29 F32 Y215 I216 V217 L221 L222 L223 | S17-M219 VanDerWaalsContact CB-CE 3.47Å; S17-M219 VanDerWaalsContact OG-CE 3.29Å; S17-M219 WeakPolarHBondContact OG-CE 3.33Å; I21-M219 HydrophobicContact CD1-CE 4.15Å; I21-M219 HydrophobicContact CD1-SD 3.54Å; I21-M219 VanDerWaalsContact CD1-SD 3.54Å; I21-M219 HydrophobicContact CG1-CE 4.19Å; I21-M219 HydrophobicContact CG1-SD 3.44Å; I21-M219 WeakPolarHBondContact CG1-SD 3.39Å; V28-M219 HydrophobicContact CG1-CG 3.82Å; V28-M219 HydrophobicContact CG1-SD 3.64Å; I29-M219 HydrophobicContact CG1-CG 4.07Å; F32-M219 HydrophobicContact CD2-CE 4.19Å; F32-M219 HydrophobicContact CD2-CG 4.16Å; F32-M219 HydrophobicContact CE2-CE 3.34Å; F32-M219 HydrophobicContact CE2-CG 4.22Å; F32-M219 HydrophobicContact CE2-SD 4.28Å; F32-M219 HydrophobicContact CZ-CE 3.85Å; Y215-M219 WeakPolarHBondContact O-CB 3.41Å; Y215-M219 PolarHBondContact O-N 2.69Å; I216-M219 PolarHBondContact O-N 2.85Å; V217-M219 VanDerWaalsContact C-N 3.34Å; V217-M219 PolarHBondContact O-N 3.22Å; M219-L221 VanDerWaalsContact C-N 3.32Å; M219-L221 PolarHBondContact O-N 2.97Å; M219-L222 PolarHBondContact O-N 2.97Å; M219-L223 HydrophobicContact CG-CD1 4.06Å; M219-L223 WeakPolarHBondContact O-CG 3.38Å; M219-L223 PolarHBondContact O-N 3.47Å; M219-L223 VanDerWaalsContact O-N 3.13Å; M219-L223 HydrophobicContact SD-CD1 4.22Å |
| 220 | V | 81.5 | Confident | 78.3 | Confident | 34 Ų | 34 | 31.8 Ų | 31.8 | 21% | 0.206 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | I29 I216 V217 L222 L223 I224 | I29-V220 HydrophobicContact CD1-CG2 3.74Å; I29-V220 HydrophobicContact CG1-CG2 3.95Å; I29-V220 HydrophobicContact CG2-CG2 4.1Å; I216-V220 HydrophobicContact CG2-CG2 4.42Å; I216-V220 VanDerWaalsContact O-CG2 3.29Å; I216-V220 WeakPolarHBondContact O-CG2 3.3Å; I216-V220 PolarHBondContact O-N 3.06Å; V217-V220 PolarHBondContact O-N 3.45Å; V220-L222 PolarHBondContact O-N 2.89Å; V220-L223 PolarHBondContact O-N 3.43Å; V220-I224 HydrophobicContact CG1-CD1 3.56Å; V220-I224 HydrophobicContact CG1-CG1 4.31Å; V220-I224 WeakPolarHBondContact O-CG1 3.42Å; V220-I224 PolarHBondContact O-N 2.86Å |
| 221 | L | 75.5 | Confident | 78.3 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.7 | -53.3 | 175.2 | -76.8 | 174.8 | 0 | 0 | 0 | 113.5 | C135 V139 V217 P218 M219 L223 I224 I225 | C135-L221 HydrophobicContact CB-CD1 4.31Å; C135-L221 WeakPolarHBondContact O-CD1 3.45Å; V139-L221 HydrophobicContact CB-CD2 3.6Å; V139-L221 HydrophobicContact CB-CG 4.15Å; V139-L221 HydrophobicContact CG1-CD2 3.99Å; V139-L221 HydrophobicContact CG1-CG 4.47Å; V139-L221 HydrophobicContact CG2-CD1 3.39Å; V139-L221 HydrophobicContact CG2-CD2 3.29Å; V139-L221 HydrophobicContact CG2-CG 3.29Å; V217-L221 WeakPolarHBondContact O-CG 3.33Å; V217-L221 PolarHBondContact O-N 3.09Å; V217-L221 VanDerWaalsContact O-N 3.08Å; P218-L221 WeakPolarHBondContact O-CB 3.48Å; P218-L221 PolarHBondContact O-N 3.39Å; M219-L221 VanDerWaalsContact C-N 3.32Å; M219-L221 PolarHBondContact O-N 2.97Å; L221-L223 PolarHBondContact O-N 2.86Å; L221-I224 PolarHBondContact O-N 3.09Å; L221-I224 VanDerWaalsContact O-N 3.13Å; L221-I225 HydrophobicContact CD2-CD1 4.49Å; L221-I225 VanDerWaalsContact O-CG1 3.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.29Å; L221-I225 PolarHBondContact O-N 2.98Å |
| 222 | L | 76.6 | Confident | 78 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -40.8 | -175.6 | -75.8 | 169.1 | 0 | 0 | 0 | 110.8 | P218 M219 V220 Y226 L231 P238 F239 L242 | P218-L222 VanDerWaalsContact O-CG 3.28Å; P218-L222 WeakPolarHBondContact O-CG 3.48Å; P218-L222 PolarHBondContact O-N 3.27Å; M219-L222 PolarHBondContact O-N 2.97Å; V220-L222 PolarHBondContact O-N 2.89Å; L222-Y226 HydrophobicContact CD2-CD2 4.28Å; L222-Y226 WeakPolarHBondContact O-CA 3.48Å; L222-Y226 WeakPolarHBondContact O-CB 3.42Å; L222-Y226 PolarHBondContact O-N 3.13Å; L222-L231 HydrophobicContact CB-CD1 3.85Å; L222-P238 HydrophobicContact CD1-CB 3.65Å; L222-P238 HydrophobicContact CD2-CB 4.28Å; L222-F239 HydrophobicContact CD1-CD1 3.98Å; L222-F239 HydrophobicContact CD1-CD2 4.48Å; L222-F239 HydrophobicContact CD1-CE1 3.53Å; L222-F239 HydrophobicContact CD1-CE2 4.13Å; L222-F239 HydrophobicContact CD1-CG 4.42Å; L222-F239 HydrophobicContact CD1-CZ 3.63Å; L222-F239 HydrophobicContact CG-CE1 4.31Å; L222-L242 HydrophobicContact CD2-CD1 4.12Å |
| 223 | L | 80.7 | Confident | 77.4 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75.8 | -20.8 | -179.9 | -67 | 168.2 | 0 | 0 | 0 | 114 | I21 V28 I29 M155 M219 V220 L221 W228 L231 | I21-L223 HydrophobicContact CG2-CD2 4.13Å; V28-L223 HydrophobicContact CG1-CD1 3.82Å; I29-L223 HydrophobicContact CD1-CD1 3.62Å; I29-L223 HydrophobicContact CG1-CD1 3.81Å; M155-L223 HydrophobicContact CE-CB 4.15Å; M155-L223 HydrophobicContact CE-CD1 4.43Å; M155-L223 HydrophobicContact CG-CB 4.32Å; M155-L223 WeakPolarHBondContact CG-O 3.44Å; M219-L223 HydrophobicContact CG-CD1 4.06Å; M219-L223 WeakPolarHBondContact O-CG 3.38Å; M219-L223 PolarHBondContact O-N 3.47Å; M219-L223 VanDerWaalsContact O-N 3.13Å; M219-L223 HydrophobicContact SD-CD1 4.22Å; V220-L223 PolarHBondContact O-N 3.43Å; L221-L223 PolarHBondContact O-N 2.86Å; L223-W228 HydrophobicContact CD2-CB 3.53Å; L223-L231 HydrophobicContact CD2-CD1 4.38Å |
| 224 | I | 77.1 | Confident | 76.9 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -78.3 | -43.9 | 172.6 | -67.3 | 170.2 | 0 | 0 | 0 | 110.6 | I143 I146 T151 M155 V220 L221 | I143-I224 HydrophobicContact CG1-CD1 4.22Å; I146-I224 HydrophobicContact CD1-CG2 4.04Å; T151-I224 HydrophobicContact CG2-CB 4.22Å; T151-I224 HydrophobicContact CG2-CD1 3.31Å; T151-I224 HydrophobicContact CG2-CG1 3.36Å; T151-I224 HydrophobicContact CG2-CG2 3.86Å; M155-I224 HydrophobicContact CG-CG1 4.38Å; M155-I224 HydrophobicContact SD-CG1 4.04Å; V220-I224 HydrophobicContact CG1-CD1 3.56Å; V220-I224 HydrophobicContact CG1-CG1 4.31Å; V220-I224 WeakPolarHBondContact O-CG1 3.42Å; V220-I224 PolarHBondContact O-N 2.86Å; L221-I224 PolarHBondContact O-N 3.09Å; L221-I224 VanDerWaalsContact O-N 3.13Å |
| 225 | I | 71.8 | Confident | 76.3 | Confident | 60 Ų | 60 | 37.5 Ų | 37.5 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -81.4 | -41.3 | -172.5 | -62.1 | 167.8 | 0 | 0 | 0 | 110.8 | E142 L221 | E142-I225 HydrophobicContact CG-CD1 4.27Å; E142-I225 HydrophobicContact CG-CG1 4.19Å; L221-I225 HydrophobicContact CD2-CD1 4.49Å; L221-I225 VanDerWaalsContact O-CG1 3.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.29Å; L221-I225 PolarHBondContact O-N 2.98Å |
| 226 | Y | 73 | Confident | 75.3 | Confident | 46 Ų | 46 | 38.1 Ų | 38.1 | 18% | 0.18 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -121.3 | 150.9 | -173 | -60.6 | -67.8 | 0 | 0 | 0 | 111.9 | L222 W228 L231 L242 L245 | L222-Y226 HydrophobicContact CD2-CD2 4.28Å; L222-Y226 WeakPolarHBondContact O-CA 3.48Å; L222-Y226 WeakPolarHBondContact O-CB 3.42Å; L222-Y226 PolarHBondContact O-N 3.13Å; Y226-W228 PolarHBondContact O-N 3.26Å; Y226-L231 HydrophobicContact CD2-CD2 4.24Å; Y226-L231 HydrophobicContact CG-CD2 4.2Å; Y226-L242 HydrophobicContact CE2-CD1 4.09Å; Y226-L245 HydrophobicContact CD1-CD1 3.73Å; Y226-L245 HydrophobicContact CE1-CB 4.35Å; Y226-L245 HydrophobicContact CE1-CD1 3.24Å; Y226-L245 HydrophobicContact CE1-CG 4.37Å; Y226-L245 HydrophobicContact CE2-CD1 4.31Å; Y226-L245 HydrophobicContact CG-CD1 4.45Å |
| 227 | R | 80.2 | Confident | 74.3 | Confident | 117 Ų | 117 | 37.2 Ų | 37.2 | 44% | 0.442 | 21% | 0.209 | S | C | . | . | trans | -68.7 | 130.5 | 174.5 | -53.2 | 170.7 | 41.4 | 165.7 | 0.2 | 109.7 | H158 D229 T230 L231 | H158-R227 PolarHBondContact CE1-NE 3.42Å; H158-R227 PolarHBondContact ND1-NH2 3.01Å; H158-R227 WeakPolarHBondContact NE2-CD 3.47Å; H158-R227 PolarHBondContact NE2-NE 3.18Å; R227-D229 WeakPolarHBondContact CB-OD1 3.28Å; R227-D229 IonicContact CZ-OD1 3.44Å; R227-D229 IonicContact CZ-OD2 3.58Å; R227-D229 IonicContact NE-OD1 3Å; R227-D229 PolarHBondContact NE-OD1 3.12Å; R227-D229 IonicContact NE-OD2 3.59Å; R227-D229 IonicContact NH2-OD1 2.7Å; R227-D229 PolarHBondContact NH2-OD1 2.98Å; R227-D229 IonicContact NH2-OD2 3.29Å; R227-D229 PolarHBondContact NH2-OD2 2.93Å; R227-D229 PolarHBondContact O-N 3.31Å; R227-T230 WeakPolarHBondContact O-CB 3.36Å; R227-T230 PolarHBondContact O-N 3.04Å; R227-L231 PolarHBondContact O-N 3.28Å; R227-L231 VanDerWaalsContact O-N 3.12Å | ||
| 228 | W | 81.1 | Confident | 73.3 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 13% | 0.125 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -32.1 | -177 | 74.6 | -95.2 | 0 | 0 | 0 | 112.6 | I21 P26 H158 P163 H164 L223 Y226 T230 L231 A232 | I21-W228 HydrophobicContact CG2-CB 3.81Å; I21-W228 HydrophobicContact CG2-CE3 4.41Å; P26-W228 HydrophobicContact CG-CB 4.43Å; P26-W228 HydrophobicContact CG-CG 4.15Å; H158-W228 PolarHBondContact O-NE1 3.14Å; P163-W228 HydrophobicContact CB-CH2 4.02Å; P163-W228 HydrophobicContact CB-CZ2 3.62Å; P163-W228 HydrophobicContact CG-CD2 4.49Å; P163-W228 HydrophobicContact CG-CH2 3.79Å; P163-W228 HydrophobicContact CG-CZ2 3.51Å; P163-W228 HydrophobicContact CG-CZ3 4.38Å; H164-W228 AromaticContact NE2-CH2 3.53Å; H164-W228 AromaticContact NE2-CZ3 3.68Å; L223-W228 HydrophobicContact CD2-CB 3.53Å; Y226-W228 PolarHBondContact O-N 3.26Å; W228-T230 VanDerWaalsContact C-N 3.33Å; W228-T230 PolarHBondContact O-N 3.07Å; W228-L231 PolarHBondContact O-N 3.01Å; W228-A232 HydrophobicContact CE3-CB 4.31Å; W228-A232 HydrophobicContact CZ3-CB 4.45Å; W228-A232 VanDerWaalsContact O-CB 3.3Å; W228-A232 WeakPolarHBondContact O-CB 3.44Å; W228-A232 PolarHBondContact O-N 3.23Å |
| 229 | D | 81.8 | Confident | 72.6 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.4 | -32.1 | 177.1 | 64.2 | -58.5 | 0 | 0 | 0 | 112.4 | R227 S233 | R227-D229 WeakPolarHBondContact CB-OD1 3.28Å; R227-D229 IonicContact CZ-OD1 3.44Å; R227-D229 IonicContact CZ-OD2 3.58Å; R227-D229 IonicContact NE-OD1 3Å; R227-D229 PolarHBondContact NE-OD1 3.12Å; R227-D229 IonicContact NE-OD2 3.59Å; R227-D229 IonicContact NH2-OD1 2.7Å; R227-D229 PolarHBondContact NH2-OD1 2.98Å; R227-D229 IonicContact NH2-OD2 3.29Å; R227-D229 PolarHBondContact NH2-OD2 2.93Å; R227-D229 PolarHBondContact O-N 3.31Å; D229-S233 WeakPolarHBondContact O-CB 3.39Å; D229-S233 PolarHBondContact O-N 3.06Å; D229-S233 PolarHBondContact O-OG 3.48Å |
| 230 | T | 77.6 | Confident | 71.5 | Confident | 54 Ų | 54 | 37.9 Ų | 37.9 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.7 | -37.7 | 172.8 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | R227 W228 S233 | R227-T230 WeakPolarHBondContact O-CB 3.36Å; R227-T230 PolarHBondContact O-N 3.04Å; W228-T230 VanDerWaalsContact C-N 3.33Å; W228-T230 PolarHBondContact O-N 3.07Å; T230-S233 PolarHBondContact O-OG 3.19Å; T230-S233 VanDerWaalsContact O-OG 3.07Å |
| 231 | L | 76.6 | Confident | 70.5 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.5 | -32.6 | 175.9 | -60.6 | 178.7 | 0 | 0 | 0 | 112.6 | I21 L222 L223 Y226 R227 W228 T234 P238 | I21-L231 HydrophobicContact CD1-CB 4.16Å; I21-L231 HydrophobicContact CD1-CD1 4.08Å; I21-L231 HydrophobicContact CG2-CB 4.28Å; L222-L231 HydrophobicContact CB-CD1 3.85Å; L223-L231 HydrophobicContact CD2-CD1 4.38Å; Y226-L231 HydrophobicContact CD2-CD2 4.24Å; Y226-L231 HydrophobicContact CG-CD2 4.2Å; R227-L231 PolarHBondContact O-N 3.28Å; R227-L231 VanDerWaalsContact O-N 3.12Å; W228-L231 PolarHBondContact O-N 3.01Å; L231-T234 WeakPolarHBondContact O-CG2 3.18Å; L231-P238 HydrophobicContact CB-CG 4.45Å; L231-P238 HydrophobicContact CD2-CB 4.13Å |
| 232 | A | 77 | Confident | 69.6 | Low | 35 Ų | 35 | 40.4 Ų | 40.4 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -75.1 | -28.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G22 W228 T234 | G22-A232 VanDerWaalsContact CA-CB 3.43Å; W228-A232 HydrophobicContact CE3-CB 4.31Å; W228-A232 HydrophobicContact CZ3-CB 4.45Å; W228-A232 VanDerWaalsContact O-CB 3.3Å; W228-A232 WeakPolarHBondContact O-CB 3.44Å; W228-A232 PolarHBondContact O-N 3.23Å; A232-T234 VanDerWaalsContact C-N 3.34Å |
| 233 | S | 69.6 | Low | 68.7 | Low | 93 Ų | 93 | 47.5 Ų | 47.5 | 65% | 0.65 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -83.1 | -8.9 | -175.5 | 53.4 | 0 | 0 | 0 | 0 | 114 | D229 T230 | D229-S233 WeakPolarHBondContact O-CB 3.39Å; D229-S233 PolarHBondContact O-N 3.06Å; D229-S233 PolarHBondContact O-OG 3.48Å; T230-S233 PolarHBondContact O-OG 3.19Å; T230-S233 VanDerWaalsContact O-OG 3.07Å |
| 234 | T | 64.3 | Low | 67.6 | Low | 38 Ų | 38 | 51 Ų | 51 | 23% | 0.233 | 26% | 0.264 | C | S | . | . | trans | -88.1 | 133.8 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | L231 A232 A236 | L231-T234 WeakPolarHBondContact O-CG2 3.18Å; A232-T234 VanDerWaalsContact C-N 3.34Å; T234-A236 WeakPolarHBondContact CG2-O 3.34Å; T234-A236 WeakPolarHBondContact OG1-CB 3.38Å; T234-A236 PolarHBondContact OG1-N 2.85Å; T234-A236 VanDerWaalsContact OG1-N 3.09Å; T234-A236 PolarHBondContact OG1-O 3.05Å | ||
| 235 | T | 59.7 | Low | 66.7 | Low | 126 Ų | 126 | 52.6 Ų | 52.6 | 77% | 0.773 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -73.7 | -19.7 | 168.9 | -45.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 236 | A | 56.3 | Low | 65.9 | Low | 15 Ų | 15 | 56.8 Ų | 56.8 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -83.5 | 154.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L100 T234 | L100-A236 HydrophobicContact CD1-CB 4.03Å; L100-A236 HydrophobicContact CD2-CB 4.13Å; T234-A236 WeakPolarHBondContact CG2-O 3.34Å; T234-A236 WeakPolarHBondContact OG1-CB 3.38Å; T234-A236 PolarHBondContact OG1-N 2.85Å; T234-A236 VanDerWaalsContact OG1-N 3.09Å; T234-A236 PolarHBondContact OG1-O 3.05Å |
| 237 | S | 63.5 | Low | 64.8 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | trans | -55.5 | 135.3 | 173.4 | 177 | 0 | 0 | 0 | 0 | 111.6 | F14 F239 V240 M241 | F14-S237 VanDerWaalsContact C-CB 3.47Å; F14-S237 WeakPolarHBondContact CA-OG 3.16Å; F14-S237 WeakPolarHBondContact CB-OG 3.3Å; F14-S237 WeakPolarHBondContact O-CA 3.49Å; F14-S237 WeakPolarHBondContact O-CB 3.45Å; F14-S237 PolarHBondContact O-OG 2.74Å; S237-F239 PolarHBondContact O-N 3.1Å; S237-F239 WeakPolarHBondContact OG-CD2 3.14Å; S237-F239 PolarHBondContact OG-N 3.42Å; S237-V240 WeakPolarHBondContact O-CA 3.3Å; S237-V240 WeakPolarHBondContact O-CB 3.48Å; S237-V240 PolarHBondContact O-N 2.69Å; S237-M241 PolarHBondContact O-N 2.86Å | ||
| 238 | P | 59 | Low | 63.6 | Low | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -47.9 | -32.7 | 169 | -33.3 | 39 | 0 | 0 | 0 | 114.1 | I21 L222 L231 M241 L242 | I21-P238 HydrophobicContact CD1-CG 4.07Å; L222-P238 HydrophobicContact CD1-CB 3.65Å; L222-P238 HydrophobicContact CD2-CB 4.28Å; L231-P238 HydrophobicContact CB-CG 4.45Å; L231-P238 HydrophobicContact CD2-CB 4.13Å; P238-M241 WeakPolarHBondContact O-CB 3.3Å; P238-M241 PolarHBondContact O-N 3.16Å; P238-L242 PolarHBondContact O-N 3.35Å |
| 239 | F | 59.5 | Low | 62.2 | Low | 36 Ų | 36 | 59.7 Ų | 59.7 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.4 | -36.5 | 177.1 | -64.1 | -71.7 | 0 | 0 | 0 | 112.8 | L13 F14 P218 L222 S237 M241 L242 | L13-F239 HydrophobicContact CD1-CE2 4.17Å; L13-F239 HydrophobicContact CD1-CZ 4.44Å; L13-F239 HydrophobicContact CG-CE2 4.22Å; F14-F239 HydrophobicContact CD1-CB 3.78Å; F14-F239 AromaticContact CD1-CD2 3.65Å; F14-F239 HydrophobicContact CD1-CD2 3.65Å; F14-F239 AromaticContact CD1-CG 3.95Å; F14-F239 HydrophobicContact CD1-CG 3.95Å; F14-F239 HydrophobicContact CE1-CB 3.99Å; F14-F239 HydrophobicContact CE1-CD2 4.13Å; F14-F239 HydrophobicContact CE1-CG 4.12Å; P218-F239 HydrophobicContact CB-CE1 3.39Å; P218-F239 HydrophobicContact CB-CZ 3.74Å; L222-F239 HydrophobicContact CD1-CD1 3.98Å; L222-F239 HydrophobicContact CD1-CD2 4.48Å; L222-F239 HydrophobicContact CD1-CE1 3.53Å; L222-F239 HydrophobicContact CD1-CE2 4.13Å; L222-F239 HydrophobicContact CD1-CG 4.42Å; L222-F239 HydrophobicContact CD1-CZ 3.63Å; L222-F239 HydrophobicContact CG-CE1 4.31Å; S237-F239 PolarHBondContact O-N 3.1Å; S237-F239 WeakPolarHBondContact OG-CD2 3.14Å; S237-F239 PolarHBondContact OG-N 3.42Å; F239-M241 VanDerWaalsContact C-N 3.34Å; F239-L242 WeakPolarHBondContact O-CB 3.15Å; F239-L242 PolarHBondContact O-N 3.48Å |
| 240 | V | 58.5 | Low | 60.7 | Low | 25 Ų | 25 | 60.6 Ų | 60.6 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.7 | -34.4 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | F97 L100 S237 L242 Y243 F244 | F97-V240 HydrophobicContact CD1-CG2 3.83Å; F97-V240 HydrophobicContact CE1-CB 4.37Å; F97-V240 HydrophobicContact CE1-CG2 3.62Å; F97-V240 HydrophobicContact CZ-CG2 4.32Å; L100-V240 HydrophobicContact CD1-CG1 3.7Å; S237-V240 WeakPolarHBondContact O-CA 3.3Å; S237-V240 WeakPolarHBondContact O-CB 3.48Å; S237-V240 PolarHBondContact O-N 2.69Å; V240-L242 PolarHBondContact O-N 3.28Å; V240-Y243 WeakPolarHBondContact O-CB 3.35Å; V240-Y243 PolarHBondContact O-N 3.25Å; V240-Y243 VanDerWaalsContact O-N 3.07Å; V240-F244 HydrophobicContact CG1-CD2 4.09Å; V240-F244 HydrophobicContact CG1-CE2 3.75Å; V240-F244 PolarHBondContact O-N 3.49Å |
| 241 | M | 60.5 | Low | 59.1 | Low | 46 Ų | 46 | 60.4 Ų | 60.4 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.8 | -31.2 | 175 | -170.4 | 58.8 | 165.2 | 0 | 0 | 112.3 | S237 P238 F239 Y243 F244 L245 | S237-M241 PolarHBondContact O-N 2.86Å; P238-M241 WeakPolarHBondContact O-CB 3.3Å; P238-M241 PolarHBondContact O-N 3.16Å; F239-M241 VanDerWaalsContact C-N 3.34Å; M241-Y243 PolarHBondContact O-N 3.19Å; M241-F244 PolarHBondContact O-N 3.19Å; M241-F244 VanDerWaalsContact O-N 3.1Å; M241-F244 HydrophobicContact SD-CB 4.44Å; M241-L245 HydrophobicContact CE-CD1 3.96Å; M241-L245 HydrophobicContact CE-CD2 3.75Å; M241-L245 HydrophobicContact CE-CG 3.76Å; M241-L245 HydrophobicContact CG-CD1 3.61Å; M241-L245 HydrophobicContact CG-CG 3.88Å; M241-L245 WeakPolarHBondContact O-CB 3.34Å; M241-L245 PolarHBondContact O-N 2.9Å; M241-L245 HydrophobicContact SD-CD1 4.35Å; M241-L245 HydrophobicContact SD-CG 4.05Å |
| 242 | L | 58.3 | Low | 57.9 | Low | 54 Ų | 54 | 63.6 Ų | 63.6 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.8 | -34.6 | 177.1 | -155.9 | 130 | 0 | 0 | 0 | 112.4 | L222 Y226 P238 F239 V240 R246 | L222-L242 HydrophobicContact CD2-CD1 4.12Å; Y226-L242 HydrophobicContact CE2-CD1 4.09Å; P238-L242 PolarHBondContact O-N 3.35Å; F239-L242 WeakPolarHBondContact O-CB 3.15Å; F239-L242 PolarHBondContact O-N 3.48Å; V240-L242 PolarHBondContact O-N 3.28Å; L242-R246 WeakPolarHBondContact O-CB 3.37Å; L242-R246 PolarHBondContact O-N 3.44Å |
| 243 | Y | 57.3 | Low | 56.8 | Low | 151 Ų | 151 | 67.2 Ų | 67.2 | 59% | 0.592 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.8 | -43.7 | 173.3 | -78.7 | -77.2 | 0 | 0 | 0 | 111.8 | E131 V240 M241 S247 | E131-Y243 PolarHBondContact OE1-OH 3.04Å; V240-Y243 WeakPolarHBondContact O-CB 3.35Å; V240-Y243 PolarHBondContact O-N 3.25Å; V240-Y243 VanDerWaalsContact O-N 3.07Å; M241-Y243 PolarHBondContact O-N 3.19Å; Y243-S247 PolarHBondContact O-N 2.91Å; Y243-S247 VanDerWaalsContact O-N 3.17Å |
| 244 | F | 57.5 | Low | 55.9 | Low | 79 Ų | 79 | 68 Ų | 68 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.4 | -42.5 | -178.7 | -73.3 | -71.9 | 0 | 0 | 0 | 113.2 | L100 V240 M241 R246 S247 T248 | L100-F244 HydrophobicContact CB-CZ 4.49Å; L100-F244 HydrophobicContact CD1-CE2 4.11Å; V240-F244 HydrophobicContact CG1-CD2 4.09Å; V240-F244 HydrophobicContact CG1-CE2 3.75Å; V240-F244 PolarHBondContact O-N 3.49Å; M241-F244 PolarHBondContact O-N 3.19Å; M241-F244 VanDerWaalsContact O-N 3.1Å; M241-F244 HydrophobicContact SD-CB 4.44Å; F244-R246 VanDerWaalsContact C-N 3.33Å; F244-R246 PolarHBondContact O-N 3.37Å; F244-S247 PolarHBondContact O-N 3.42Å; F244-S247 VanDerWaalsContact O-N 3.14Å; F244-S247 PolarHBondContact O-OG 2.95Å; F244-T248 PolarHBondContact O-N 2.69Å; F244-T248 PolarHBondContact O-OG1 3.42Å |
| 245 | L | 57.5 | Low | 55.6 | Low | 39 Ų | 39 | 71.7 Ų | 71.7 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 179.2 | -73.8 | 175.7 | 0 | 0 | 0 | 112.2 | Y226 M241 T248 Q249 | Y226-L245 HydrophobicContact CD1-CD1 3.73Å; Y226-L245 HydrophobicContact CE1-CB 4.35Å; Y226-L245 HydrophobicContact CE1-CD1 3.24Å; Y226-L245 HydrophobicContact CE1-CG 4.37Å; Y226-L245 HydrophobicContact CE2-CD1 4.31Å; Y226-L245 HydrophobicContact CG-CD1 4.45Å; M241-L245 HydrophobicContact CE-CD1 3.96Å; M241-L245 HydrophobicContact CE-CD2 3.75Å; M241-L245 HydrophobicContact CE-CG 3.76Å; M241-L245 HydrophobicContact CG-CD1 3.61Å; M241-L245 HydrophobicContact CG-CG 3.88Å; M241-L245 WeakPolarHBondContact O-CB 3.34Å; M241-L245 PolarHBondContact O-N 2.9Å; M241-L245 HydrophobicContact SD-CD1 4.35Å; M241-L245 HydrophobicContact SD-CG 4.05Å; L245-T248 WeakPolarHBondContact CA-OG1 3.31Å; L245-T248 PolarHBondContact O-N 3.04Å; L245-T248 PolarHBondContact O-OG1 3.34Å; L245-Q249 WeakPolarHBondContact O-CB 3.38Å; L245-Q249 PolarHBondContact O-N 3.24Å |
| 246 | R | 55.6 | Low | 55.9 | Low | 148 Ų | 148 | 71.7 Ų | 71.7 | 56% | 0.558 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 172.4 | -169.8 | 176.5 | -177.8 | -175.1 | 1 | 111.4 | L242 F244 Q249 V250 | L242-R246 WeakPolarHBondContact O-CB 3.37Å; L242-R246 PolarHBondContact O-N 3.44Å; F244-R246 VanDerWaalsContact C-N 3.33Å; F244-R246 PolarHBondContact O-N 3.37Å; R246-Q249 PolarHBondContact O-N 3.39Å; R246-V250 WeakPolarHBondContact O-CB 3.38Å; R246-V250 VanDerWaalsContact O-CG2 3.25Å; R246-V250 WeakPolarHBondContact O-CG2 3.45Å; R246-V250 PolarHBondContact O-N 3.42Å |
| 247 | S | 50.2 | Low | 56.1 | Low | 64 Ų | 64 | 79.9 Ų | 79.9 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.4 | 77.3 | 0 | 0 | 0 | 0 | 112.5 | Y243 F244 S251 | Y243-S247 PolarHBondContact O-N 2.91Å; Y243-S247 VanDerWaalsContact O-N 3.17Å; F244-S247 PolarHBondContact O-N 3.42Å; F244-S247 VanDerWaalsContact O-N 3.14Å; F244-S247 PolarHBondContact O-OG 2.95Å; S247-S251 WeakPolarHBondContact O-CB 3.45Å; S247-S251 PolarHBondContact O-N 3Å; S247-S251 PolarHBondContact O-OG 3.3Å |
| 248 | T | 54.8 | Low | 56.1 | Low | 73 Ų | 73 | 89.2 Ų | 89.2 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.5 | -43.9 | 176.7 | 19.7 | 0 | 0 | 0 | 0 | 111.5 | F244 L245 V250 S251 T252 | F244-T248 PolarHBondContact O-N 2.69Å; F244-T248 PolarHBondContact O-OG1 3.42Å; L245-T248 WeakPolarHBondContact CA-OG1 3.31Å; L245-T248 PolarHBondContact O-N 3.04Å; L245-T248 PolarHBondContact O-OG1 3.34Å; T248-V250 PolarHBondContact O-N 3.39Å; T248-S251 WeakPolarHBondContact CA-OG 3.22Å; T248-S251 PolarHBondContact O-N 2.66Å; T248-S251 VanDerWaalsContact O-N 3.12Å; T248-S251 PolarHBondContact O-OG 2.7Å; T248-T252 PolarHBondContact O-N 3.29Å; T248-T252 PolarHBondContact O-OG1 3.42Å; T248-T252 VanDerWaalsContact O-OG1 3.05Å |
| 249 | Q | 51.6 | Low | 56.6 | Low | 121 Ų | 121 | 94.7 Ų | 94.7 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61 | -41 | 175.2 | -82.9 | -177.9 | -22.7 | 0 | 0 | 113 | L245 R246 S251 T252 L253 | L245-Q249 WeakPolarHBondContact O-CB 3.38Å; L245-Q249 PolarHBondContact O-N 3.24Å; R246-Q249 PolarHBondContact O-N 3.39Å; Q249-S251 VanDerWaalsContact C-N 3.34Å; Q249-T252 VanDerWaalsContact CA-OG1 3.29Å; Q249-T252 WeakPolarHBondContact CA-OG1 3.26Å; Q249-T252 PolarHBondContact O-N 3.22Å; Q249-T252 PolarHBondContact O-OG1 3.47Å; Q249-L253 WeakPolarHBondContact O-CB 3.34Å; Q249-L253 VanDerWaalsContact O-CG 3.29Å; Q249-L253 WeakPolarHBondContact O-CG 3.38Å; Q249-L253 PolarHBondContact O-N 2.71Å |
| 250 | V | 50.8 | Low | 57 | Low | 72 Ų | 72 | 97.4 Ų | 97.4 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 174 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | R246 T248 T252 L253 L254 | R246-V250 WeakPolarHBondContact O-CB 3.38Å; R246-V250 VanDerWaalsContact O-CG2 3.25Å; R246-V250 WeakPolarHBondContact O-CG2 3.45Å; R246-V250 PolarHBondContact O-N 3.42Å; T248-V250 PolarHBondContact O-N 3.39Å; V250-T252 PolarHBondContact O-N 3.37Å; V250-L253 PolarHBondContact O-N 3.46Å; V250-L254 HydrophobicContact CG1-CD1 4.08Å; V250-L254 HydrophobicContact CG1-CG 4.37Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 VanDerWaalsContact O-CG 3.28Å; V250-L254 WeakPolarHBondContact O-CG 3.49Å; V250-L254 PolarHBondContact O-N 3.5Å |
| 251 | S | 43.1 | Very low | 57 | Low | 50 Ų | 50 | 106.9 Ų | 106.9 | 35% | 0.35 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | S247 T248 Q249 L254 L255 | S247-S251 WeakPolarHBondContact O-CB 3.45Å; S247-S251 PolarHBondContact O-N 3Å; S247-S251 PolarHBondContact O-OG 3.3Å; T248-S251 WeakPolarHBondContact CA-OG 3.22Å; T248-S251 PolarHBondContact O-N 2.66Å; T248-S251 VanDerWaalsContact O-N 3.12Å; T248-S251 PolarHBondContact O-OG 2.7Å; Q249-S251 VanDerWaalsContact C-N 3.34Å; S251-L254 PolarHBondContact O-N 3.32Å; S251-L255 WeakPolarHBondContact O-CB 3.08Å; S251-L255 VanDerWaalsContact O-CG 3.27Å; S251-L255 WeakPolarHBondContact O-CG 3.47Å; S251-L255 PolarHBondContact O-N 3.24Å |
| 252 | T | 51.2 | Low | 56.8 | Low | 69 Ų | 69 | 110 Ų | 110 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 176.1 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | T248 Q249 V250 L254 L255 E256 | T248-T252 PolarHBondContact O-N 3.29Å; T248-T252 PolarHBondContact O-OG1 3.42Å; T248-T252 VanDerWaalsContact O-OG1 3.05Å; Q249-T252 VanDerWaalsContact CA-OG1 3.29Å; Q249-T252 WeakPolarHBondContact CA-OG1 3.26Å; Q249-T252 PolarHBondContact O-N 3.22Å; Q249-T252 PolarHBondContact O-OG1 3.47Å; V250-T252 PolarHBondContact O-N 3.37Å; T252-L254 VanDerWaalsContact C-N 3.33Å; T252-L254 PolarHBondContact O-N 3.01Å; T252-L255 PolarHBondContact O-N 3.24Å; T252-E256 WeakPolarHBondContact O-CB 3.35Å; T252-E256 WeakPolarHBondContact O-CG 3.22Å; T252-E256 PolarHBondContact O-N 3.31Å |
| 253 | L | 53 | Low | 56.8 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.8 | -35.9 | 175 | -73.1 | 171.9 | 0 | 0 | 0 | 112 | Q249 V250 R257 | Q249-L253 WeakPolarHBondContact O-CB 3.34Å; Q249-L253 VanDerWaalsContact O-CG 3.29Å; Q249-L253 WeakPolarHBondContact O-CG 3.38Å; Q249-L253 PolarHBondContact O-N 2.71Å; V250-L253 PolarHBondContact O-N 3.46Å; L253-R257 WeakPolarHBondContact O-CB 3.24Å; L253-R257 PolarHBondContact O-N 3.16Å |
| 254 | L | 51.4 | Low | 56.7 | Low | 110 Ų | 110 | 110.8 Ų | 110.8 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70 | -37.7 | 173.8 | -70.7 | 178.2 | 0 | 0 | 0 | 111.9 | V250 S251 T252 R257 Y258 | V250-L254 HydrophobicContact CG1-CD1 4.08Å; V250-L254 HydrophobicContact CG1-CG 4.37Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 VanDerWaalsContact O-CG 3.28Å; V250-L254 WeakPolarHBondContact O-CG 3.49Å; V250-L254 PolarHBondContact O-N 3.5Å; S251-L254 PolarHBondContact O-N 3.32Å; T252-L254 VanDerWaalsContact C-N 3.33Å; T252-L254 PolarHBondContact O-N 3.01Å; L254-R257 PolarHBondContact O-N 3.16Å; L254-Y258 WeakPolarHBondContact O-CB 3.38Å; L254-Y258 PolarHBondContact O-N 3.13Å |
| 255 | L | 58.5 | Low | 56.7 | Low | 115 Ų | 115 | 112.6 Ų | 112.6 | 60% | 0.602 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.9 | -42.7 | 174.9 | -74.3 | 168.7 | 0 | 0 | 0 | 111.9 | S251 T252 R257 Y258 T259 | S251-L255 WeakPolarHBondContact O-CB 3.08Å; S251-L255 VanDerWaalsContact O-CG 3.27Å; S251-L255 WeakPolarHBondContact O-CG 3.47Å; S251-L255 PolarHBondContact O-N 3.24Å; T252-L255 PolarHBondContact O-N 3.24Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 3.26Å; L255-Y258 PolarHBondContact O-N 3.03Å; L255-Y258 VanDerWaalsContact O-N 3.17Å; L255-T259 WeakPolarHBondContact O-CG2 3.46Å; L255-T259 PolarHBondContact O-N 3.28Å; L255-T259 PolarHBondContact O-OG1 2.88Å; L255-T259 VanDerWaalsContact O-OG1 3.09Å |
| 256 | E | 66.7 | Low | 56.6 | Low | 125 Ų | 125 | 117.3 Ų | 117.3 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64 | -34.2 | 174.6 | -75.9 | 178 | 174.1 | 0 | 0 | 112.2 | T252 T259 S260 | T252-E256 WeakPolarHBondContact O-CB 3.35Å; T252-E256 WeakPolarHBondContact O-CG 3.22Å; T252-E256 PolarHBondContact O-N 3.31Å; E256-T259 PolarHBondContact O-OG1 2.99Å; E256-S260 WeakPolarHBondContact O-CB 3.49Å; E256-S260 PolarHBondContact O-N 3.29Å; E256-S260 PolarHBondContact O-OG 2.97Å |
| 257 | R | 59 | Low | 56.7 | Low | 187 Ų | 187 | 115.2 Ų | 115.2 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.8 | -30 | 174.1 | -137.4 | 177.9 | -164.4 | -165.6 | 2.6 | 112.8 | L253 L254 L255 S260 | L253-R257 WeakPolarHBondContact O-CB 3.24Å; L253-R257 PolarHBondContact O-N 3.16Å; L254-R257 PolarHBondContact O-N 3.16Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 3.26Å; R257-S260 PolarHBondContact O-OG 3.49Å |
| 258 | Y | 63.6 | Low | 57.2 | Low | 198 Ų | 198 | 118.9 Ų | 118.9 | 78% | 0.776 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -83.7 | -20.7 | 178.8 | -146.4 | -93 | 0 | 0 | 0 | 113.1 | L254 L255 | L254-Y258 WeakPolarHBondContact O-CB 3.38Å; L254-Y258 PolarHBondContact O-N 3.13Å; L255-Y258 PolarHBondContact O-N 3.03Å; L255-Y258 VanDerWaalsContact O-N 3.17Å |
| 259 | T | 70.6 | Confident | 57.3 | Low | 115 Ų | 115 | 122.4 Ų | 122.4 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -93.5 | -2.9 | 174.7 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | L255 E256 | L255-T259 WeakPolarHBondContact O-CG2 3.46Å; L255-T259 PolarHBondContact O-N 3.28Å; L255-T259 PolarHBondContact O-OG1 2.88Å; L255-T259 VanDerWaalsContact O-OG1 3.09Å; E256-T259 PolarHBondContact O-OG1 2.99Å |
| 260 | S | 67.5 | Low | 57.8 | Low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | trans | -106.5 | 5.9 | 177.4 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | E256 R257 | E256-S260 WeakPolarHBondContact O-CB 3.49Å; E256-S260 PolarHBondContact O-N 3.29Å; E256-S260 PolarHBondContact O-OG 2.97Å; R257-S260 PolarHBondContact O-OG 3.49Å | ||
| 261 | E | 58.4 | Low | 58.5 | Low | 224 Ų | 224 | 127.1 Ų | 127.1 | 100% | 1.047 | 64% | 0.637 | S | S | * | * | trans | -105.8 | 0 | 164.3 | -68 | -173.1 | 168.7 | 0 | 0 | 110.6 |
Retrieved 261 of 261 residues in 240 ms
(Link to these results)