| 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 | 48.8 | Very low | 51.4 | Low | 183 Ų | 183 | 108 Ų | 108 | 90% | 0.901 | 53% | 0.53 | S | S | * | . | 0 | -43.7 | 0 | -73.3 | -117.7 | -101.4 | 0 | 0 | 114.2 | W4 R5 | M1-W4 PolarHBondContact O-N 3.3Å; M1-R5 PolarHBondContact O-N 3.5Å | |||
| 2 | A | 50.2 | Low | 51.3 | Low | 82 Ų | 82 | 104.9 Ų | 104.9 | 68% | 0.678 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W4 R5 A6 | A2-W4 VanDerWaalsContact C-N 3.35Å; A2-W4 PolarHBondContact O-N 3.16Å; A2-R5 PolarHBondContact O-N 3.19Å; A2-A6 WeakPolarHBondContact O-CB 3.36Å; A2-A6 PolarHBondContact O-N 3.26Å |
| 3 | L | 46.7 | Very low | 51.4 | Low | 154 Ų | 154 | 100.9 Ų | 100.9 | 81% | 0.806 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.6 | -38.6 | 174.7 | -85.6 | 156.1 | 0 | 0 | 0 | 113.1 | A6 Y7 | L3-A6 PolarHBondContact O-N 3.47Å; L3-Y7 VanDerWaalsContact O-CB 3.31Å; L3-Y7 WeakPolarHBondContact O-CB 3.5Å; L3-Y7 PolarHBondContact O-N 2.97Å |
| 4 | W | 45.5 | Very low | 51.4 | Low | 153 Ų | 153 | 99.6 Ų | 99.6 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.5 | -41.3 | 177.3 | -178.3 | -111.6 | 0 | 0 | 0 | 112 | M1 A2 Y7 Q8 | M1-W4 PolarHBondContact O-N 3.3Å; A2-W4 VanDerWaalsContact C-N 3.35Å; A2-W4 PolarHBondContact O-N 3.16Å; W4-Y7 HydrophobicContact CE3-CD1 4.08Å; W4-Y7 AromaticContact CZ3-CD1 3.88Å; W4-Y7 HydrophobicContact CZ3-CD1 3.88Å; W4-Y7 HydrophobicContact CZ3-CE1 4.14Å; W4-Y7 PolarHBondContact O-N 3.06Å; W4-Q8 HydrophobicContact CZ2-CG 4.46Å; W4-Q8 WeakPolarHBondContact O-CB 3.4Å; W4-Q8 WeakPolarHBondContact O-CG 3.44Å; W4-Q8 PolarHBondContact O-N 3.49Å |
| 5 | R | 55.2 | Low | 51.1 | Low | 140 Ų | 140 | 94.1 Ų | 94.1 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.8 | -35.2 | 174.8 | -66.7 | -179.4 | -173.7 | 172 | 1 | 111.8 | M1 A2 R9 | M1-R5 PolarHBondContact O-N 3.5Å; A2-R5 PolarHBondContact O-N 3.19Å; R5-R9 WeakPolarHBondContact O-CB 3.37Å; R5-R9 VanDerWaalsContact O-CG 3.25Å; R5-R9 WeakPolarHBondContact O-CG 3.49Å; R5-R9 PolarHBondContact O-N 3.1Å |
| 6 | A | 57.1 | Low | 50.6 | Low | 48 Ų | 48 | 91.4 Ų | 91.4 | 40% | 0.397 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2 L3 R9 A10 | A2-A6 WeakPolarHBondContact O-CB 3.36Å; A2-A6 PolarHBondContact O-N 3.26Å; L3-A6 PolarHBondContact O-N 3.47Å; A6-R9 PolarHBondContact O-N 2.69Å; A6-A10 VanDerWaalsContact O-CB 3.28Å; A6-A10 WeakPolarHBondContact O-CB 3.13Å; A6-A10 PolarHBondContact O-N 3.42Å |
| 7 | Y | 51.2 | Low | 49.8 | Very low | 79 Ų | 79 | 90.8 Ų | 90.8 | 31% | 0.31 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 172.7 | 178.5 | -104.3 | 0 | 0 | 0 | 111.4 | L3 W4 R9 A10 L11 V18 T22 | L3-Y7 VanDerWaalsContact O-CB 3.31Å; L3-Y7 WeakPolarHBondContact O-CB 3.5Å; L3-Y7 PolarHBondContact O-N 2.97Å; W4-Y7 HydrophobicContact CE3-CD1 4.08Å; W4-Y7 AromaticContact CZ3-CD1 3.88Å; W4-Y7 HydrophobicContact CZ3-CD1 3.88Å; W4-Y7 HydrophobicContact CZ3-CE1 4.14Å; W4-Y7 PolarHBondContact O-N 3.06Å; Y7-R9 VanDerWaalsContact C-N 3.34Å; Y7-R9 PolarHBondContact O-N 3.47Å; Y7-A10 CarbonylContact O-C 3.53Å; Y7-A10 PolarHBondContact O-N 2.94Å; Y7-L11 HydrophobicContact CD1-CD1 4.34Å; Y7-L11 HydrophobicContact CE1-CD1 3.51Å; Y7-L11 HydrophobicContact CE2-CD1 4.25Å; Y7-L11 VanDerWaalsContact CZ-CD1 3.46Å; Y7-L11 VanDerWaalsContact O-CB 3.22Å; Y7-L11 WeakPolarHBondContact O-CB 3.35Å; Y7-L11 PolarHBondContact O-N 2.81Å; Y7-L11 WeakPolarHBondContact OH-CD1 3.28Å; Y7-V18 HydrophobicContact CD2-CG1 3.79Å; Y7-V18 HydrophobicContact CE2-CG1 3.26Å; Y7-T22 HydrophobicContact CE2-CG2 4.33Å; Y7-T22 PolarHBondContact OH-OG1 2.77Å |
| 8 | Q | 47.9 | Very low | 49.8 | Very low | 104 Ų | 104 | 86.7 Ų | 86.7 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 176.9 | -74.1 | -164.9 | -26.6 | 0 | 0 | 112.8 | W4 L11 A12 | W4-Q8 HydrophobicContact CZ2-CG 4.46Å; W4-Q8 WeakPolarHBondContact O-CB 3.4Å; W4-Q8 WeakPolarHBondContact O-CG 3.44Å; W4-Q8 PolarHBondContact O-N 3.49Å; Q8-L11 PolarHBondContact O-N 3.36Å; Q8-A12 VanDerWaalsContact O-CB 3.29Å; Q8-A12 WeakPolarHBondContact O-CB 3.35Å; Q8-A12 PolarHBondContact O-N 3.33Å |
| 9 | R | 58.3 | Low | 49.6 | Very low | 175 Ų | 175 | 84.3 Ų | 84.3 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.2 | -40.9 | 172.4 | -74.8 | 178.2 | -150.4 | 155.2 | 0.7 | 112.1 | R5 A6 Y7 L11 A12 A13 | R5-R9 WeakPolarHBondContact O-CB 3.37Å; R5-R9 VanDerWaalsContact O-CG 3.25Å; R5-R9 WeakPolarHBondContact O-CG 3.49Å; R5-R9 PolarHBondContact O-N 3.1Å; A6-R9 PolarHBondContact O-N 2.69Å; Y7-R9 VanDerWaalsContact C-N 3.34Å; Y7-R9 PolarHBondContact O-N 3.47Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-A12 PolarHBondContact O-N 2.78Å; R9-A13 VanDerWaalsContact O-CB 3.24Å; R9-A13 WeakPolarHBondContact O-CB 3.32Å; R9-A13 PolarHBondContact O-N 3.06Å |
| 10 | A | 54.1 | Low | 49.3 | Very low | 38 Ų | 38 | 82.4 Ų | 82.4 | 31% | 0.314 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A6 Y7 A13 H14 V18 | A6-A10 VanDerWaalsContact O-CB 3.28Å; A6-A10 WeakPolarHBondContact O-CB 3.13Å; A6-A10 PolarHBondContact O-N 3.42Å; Y7-A10 CarbonylContact O-C 3.53Å; Y7-A10 PolarHBondContact O-N 2.94Å; A10-A13 PolarHBondContact O-N 3.18Å; A10-H14 CarbonylContact O-C 3.41Å; A10-H14 WeakPolarHBondContact O-CA 3.43Å; A10-H14 PolarHBondContact O-N 3.3Å; A10-V18 HydrophobicContact CB-CG2 3.61Å; A10-V18 VanDerWaalsContact O-CG2 3.26Å; A10-V18 WeakPolarHBondContact O-CG2 3.48Å |
| 11 | L | 50.7 | Low | 48.7 | Very low | 32 Ų | 32 | 84 Ų | 84 | 17% | 0.168 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.6 | -29.4 | 177.2 | -156.6 | 139.9 | 0 | 0 | 0 | 111.6 | Y7 Q8 R9 P15 V18 | Y7-L11 HydrophobicContact CD1-CD1 4.34Å; Y7-L11 HydrophobicContact CE1-CD1 3.51Å; Y7-L11 HydrophobicContact CE2-CD1 4.25Å; Y7-L11 VanDerWaalsContact CZ-CD1 3.46Å; Y7-L11 VanDerWaalsContact O-CB 3.22Å; Y7-L11 WeakPolarHBondContact O-CB 3.35Å; Y7-L11 PolarHBondContact O-N 2.81Å; Y7-L11 WeakPolarHBondContact OH-CD1 3.28Å; Q8-L11 PolarHBondContact O-N 3.36Å; R9-L11 VanDerWaalsContact C-N 3.32Å; L11-P15 WeakPolarHBondContact O-CA 3.37Å; L11-P15 VanDerWaalsContact O-CB 3.24Å; L11-P15 WeakPolarHBondContact O-CB 3.4Å; L11-P15 WeakPolarHBondContact O-CD 3.38Å; L11-V18 HydrophobicContact CB-CB 4.45Å; L11-V18 HydrophobicContact CB-CG1 4.22Å; L11-V18 HydrophobicContact CD1-CG1 3.94Å; L11-V18 HydrophobicContact CG-CG1 4.31Å |
| 12 | A | 50.4 | Low | 48.4 | Very low | 71 Ų | 71 | 78.2 Ų | 78.2 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -75.6 | -38.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q8 R9 | Q8-A12 VanDerWaalsContact O-CB 3.29Å; Q8-A12 WeakPolarHBondContact O-CB 3.35Å; Q8-A12 PolarHBondContact O-N 3.33Å; R9-A12 PolarHBondContact O-N 2.78Å |
| 13 | A | 51.8 | Low | 47.7 | Very low | 53 Ų | 53 | 77.5 Ų | 77.5 | 44% | 0.438 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -79.6 | -40.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | R9 A10 | R9-A13 VanDerWaalsContact O-CB 3.24Å; R9-A13 WeakPolarHBondContact O-CB 3.32Å; R9-A13 PolarHBondContact O-N 3.06Å; A10-A13 PolarHBondContact O-N 3.18Å |
| 14 | H | 51.1 | Low | 47.2 | Very low | 83 Ų | 83 | 73 Ų | 73 | 38% | 0.384 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -140.4 | 66.5 | -176.9 | -58.1 | -46.3 | 0 | 0 | 0 | 111.2 | A10 W16 K17 V18 | A10-H14 CarbonylContact O-C 3.41Å; A10-H14 WeakPolarHBondContact O-CA 3.43Å; A10-H14 PolarHBondContact O-N 3.3Å; H14-W16 VanDerWaalsContact C-N 3.31Å; H14-W16 PolarHBondContact O-N 2.76Å; H14-K17 HydrophobicContact CB-CB 3.83Å; H14-K17 HydrophobicContact CB-CD 4.01Å; H14-K17 HydrophobicContact CB-CG 4.12Å; H14-K17 PolarHBondContact O-N 3.34Å; H14-K17 VanDerWaalsContact O-N 3.08Å; H14-V18 PolarHBondContact O-N 2.95Å |
| 15 | P | 46.9 | Very low | 46.7 | Very low | 17 Ų | 17 | 72.4 Ų | 72.4 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -53.1 | -45.1 | -173 | 14.6 | -28.6 | 0 | 0 | 0 | 113.3 | L11 Q19 L166 | L11-P15 WeakPolarHBondContact O-CA 3.37Å; L11-P15 VanDerWaalsContact O-CB 3.24Å; L11-P15 WeakPolarHBondContact O-CB 3.4Å; L11-P15 WeakPolarHBondContact O-CD 3.38Å; P15-Q19 VanDerWaalsContact O-CB 3.31Å; P15-Q19 WeakPolarHBondContact O-CB 3.31Å; P15-Q19 VanDerWaalsContact O-CD 3.3Å; P15-Q19 WeakPolarHBondContact O-CG 3.45Å; P15-Q19 PolarHBondContact O-N 3.45Å; P15-Q19 PolarHBondContact O-OE1 3.41Å; P15-L166 HydrophobicContact CB-CD1 3.69Å; P15-L166 HydrophobicContact CB-CD2 3.96Å; P15-L166 HydrophobicContact CB-CG 4Å; P15-L166 HydrophobicContact CG-CD1 3.77Å; P15-L166 HydrophobicContact CG-CD2 3.95Å; P15-L166 HydrophobicContact CG-CG 4.31Å |
| 16 | W | 43.8 | Very low | 45.8 | Very low | 50 Ų | 50 | 71.4 Ų | 71.4 | 19% | 0.189 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74 | -35 | -179.1 | 66.6 | -99.5 | 0 | 0 | 0 | 112.5 | H14 Q19 V20 D89 | H14-W16 VanDerWaalsContact C-N 3.31Å; H14-W16 PolarHBondContact O-N 2.76Å; W16-Q19 PolarHBondContact O-N 3.33Å; W16-V20 WeakPolarHBondContact O-CB 3.18Å; W16-V20 VanDerWaalsContact O-CG2 3.28Å; W16-V20 WeakPolarHBondContact O-CG2 3.45Å; W16-V20 PolarHBondContact O-N 2.92Å; W16-D89 HydrophobicContact CH2-CB 3.26Å; W16-D89 WeakPolarHBondContact CH2-OD1 3.46Å; W16-D89 WeakPolarHBondContact CH2-OD2 3.16Å; W16-D89 HydrophobicContact CZ2-CB 3.94Å; W16-D89 WeakPolarHBondContact CZ2-OD1 3.39Å; W16-D89 HydrophobicContact CZ3-CB 3.79Å; W16-D89 WeakPolarHBondContact CZ3-OD1 3.36Å; W16-D89 WeakPolarHBondContact CZ3-OD2 3.08Å |
| 17 | K | 37.5 | Very low | 44.8 | Very low | 81 Ų | 81 | 78.8 Ų | 78.8 | 35% | 0.352 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 176.1 | -74.3 | -177.2 | 179.8 | 176.3 | 0 | 110.1 | H14 V20 L21 | H14-K17 HydrophobicContact CB-CB 3.83Å; H14-K17 HydrophobicContact CB-CD 4.01Å; H14-K17 HydrophobicContact CB-CG 4.12Å; H14-K17 PolarHBondContact O-N 3.34Å; H14-K17 VanDerWaalsContact O-N 3.08Å; K17-V20 PolarHBondContact O-N 3.05Å; K17-L21 HydrophobicContact CB-CD1 4.4Å; K17-L21 WeakPolarHBondContact O-CB 3.47Å; K17-L21 WeakPolarHBondContact O-CD1 3.46Å; K17-L21 PolarHBondContact O-N 3.13Å |
| 18 | V | 48.5 | Very low | 43.8 | Very low | 18 Ų | 18 | 86.5 Ų | 86.5 | 11% | 0.109 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | Y7 A10 L11 H14 V20 L21 T22 | Y7-V18 HydrophobicContact CD2-CG1 3.79Å; Y7-V18 HydrophobicContact CE2-CG1 3.26Å; A10-V18 HydrophobicContact CB-CG2 3.61Å; A10-V18 VanDerWaalsContact O-CG2 3.26Å; A10-V18 WeakPolarHBondContact O-CG2 3.48Å; L11-V18 HydrophobicContact CB-CB 4.45Å; L11-V18 HydrophobicContact CB-CG1 4.22Å; L11-V18 HydrophobicContact CD1-CG1 3.94Å; L11-V18 HydrophobicContact CG-CG1 4.31Å; H14-V18 PolarHBondContact O-N 2.95Å; V18-V20 PolarHBondContact O-N 2.91Å; V18-L21 PolarHBondContact O-N 2.8Å; V18-T22 VanDerWaalsContact O-CB 3.25Å; V18-T22 WeakPolarHBondContact O-CB 3.46Å; V18-T22 PolarHBondContact O-N 2.85Å; V18-T22 PolarHBondContact O-OG1 3.26Å |
| 19 | Q | 47.6 | Very low | 43.1 | Very low | 41 Ų | 41 | 87.6 Ų | 87.6 | 19% | 0.192 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 176.2 | -71.9 | 167.6 | -14.1 | 0 | 0 | 112.7 | P15 W16 A23 L170 | P15-Q19 VanDerWaalsContact O-CB 3.31Å; P15-Q19 WeakPolarHBondContact O-CB 3.31Å; P15-Q19 VanDerWaalsContact O-CD 3.3Å; P15-Q19 WeakPolarHBondContact O-CG 3.45Å; P15-Q19 PolarHBondContact O-N 3.45Å; P15-Q19 PolarHBondContact O-OE1 3.41Å; W16-Q19 PolarHBondContact O-N 3.33Å; Q19-A23 WeakPolarHBondContact O-CB 3.46Å; Q19-A23 PolarHBondContact O-N 3.35Å; Q19-L170 HydrophobicContact CB-CD2 4.46Å; Q19-L170 HydrophobicContact CG-CD2 4.05Å |
| 20 | V | 42.6 | Very low | 41.9 | Very low | 46 Ų | 46 | 84.4 Ų | 84.4 | 28% | 0.279 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.6 | -39.8 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | W16 K17 V18 A23 A24 | W16-V20 WeakPolarHBondContact O-CB 3.18Å; W16-V20 VanDerWaalsContact O-CG2 3.28Å; W16-V20 WeakPolarHBondContact O-CG2 3.45Å; W16-V20 PolarHBondContact O-N 2.92Å; K17-V20 PolarHBondContact O-N 3.05Å; V18-V20 PolarHBondContact O-N 2.91Å; V20-A23 CarbonylContact O-C 3.58Å; V20-A23 WeakPolarHBondContact O-CA 3.47Å; V20-A23 WeakPolarHBondContact O-CB 3.46Å; V20-A23 PolarHBondContact O-N 2.99Å; V20-A24 WeakPolarHBondContact O-CB 3.44Å; V20-A24 PolarHBondContact O-N 3.48Å |
| 21 | L | 37.3 | Very low | 40.8 | Very low | 115 Ų | 115 | 89.4 Ų | 89.4 | 60% | 0.602 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.4 | -34.2 | 176.9 | -88.8 | 150.6 | 0 | 0 | 0 | 112.7 | K17 V18 A23 A24 H25 | K17-L21 HydrophobicContact CB-CD1 4.4Å; K17-L21 WeakPolarHBondContact O-CB 3.47Å; K17-L21 WeakPolarHBondContact O-CD1 3.46Å; K17-L21 PolarHBondContact O-N 3.13Å; V18-L21 PolarHBondContact O-N 2.8Å; L21-A23 VanDerWaalsContact C-N 3.26Å; L21-A24 PolarHBondContact O-N 3.3Å; L21-H25 PolarHBondContact O-N 3.47Å; L21-H25 VanDerWaalsContact O-N 3.13Å |
| 22 | T | 41.4 | Very low | 40.1 | Very low | 63 Ų | 63 | 94.9 Ų | 94.9 | 39% | 0.387 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.5 | -29.2 | 170.7 | -36 | 0 | 0 | 0 | 0 | 110 | Y7 V18 | Y7-T22 HydrophobicContact CE2-CG2 4.33Å; Y7-T22 PolarHBondContact OH-OG1 2.77Å; V18-T22 VanDerWaalsContact O-CB 3.25Å; V18-T22 WeakPolarHBondContact O-CB 3.46Å; V18-T22 PolarHBondContact O-N 2.85Å; V18-T22 PolarHBondContact O-OG1 3.26Å |
| 23 | A | 37.3 | Very low | 39.2 | Very low | 67 Ų | 67 | 97.8 Ų | 97.8 | 55% | 0.554 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -80 | -16.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q19 V20 L21 V35 | Q19-A23 WeakPolarHBondContact O-CB 3.46Å; Q19-A23 PolarHBondContact O-N 3.35Å; V20-A23 CarbonylContact O-C 3.58Å; V20-A23 WeakPolarHBondContact O-CA 3.47Å; V20-A23 WeakPolarHBondContact O-CB 3.46Å; V20-A23 PolarHBondContact O-N 2.99Å; L21-A23 VanDerWaalsContact C-N 3.26Å; A23-V35 HydrophobicContact CB-CG1 4.45Å |
| 24 | A | 35 | Very low | 38.6 | Very low | 60 Ų | 60 | 100.7 Ų | 100.7 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -120.2 | 14.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V20 L21 P26 | V20-A24 WeakPolarHBondContact O-CB 3.44Å; V20-A24 PolarHBondContact O-N 3.48Å; L21-A24 PolarHBondContact O-N 3.3Å; A24-P26 WeakPolarHBondContact O-CD 3.34Å; A24-P26 WeakPolarHBondContact O-CG 3.23Å |
| 25 | H | 34.2 | Very low | 38.2 | Very low | 140 Ų | 140 | 101 Ų | 101 | 65% | 0.648 | 55% | 0.552 | S | S | * | * | trans | -87.6 | 100.6 | 173.2 | -160.7 | 70.9 | 0 | 0 | 0 | 110.7 | L21 R27 | L21-H25 PolarHBondContact O-N 3.47Å; L21-H25 VanDerWaalsContact O-N 3.13Å; H25-R27 VanDerWaalsContact C-N 3.33Å; H25-R27 PolarHBondContact O-N 3.07Å | ||
| 26 | P | 36.8 | Very low | 38.4 | Very low | 118 Ų | 118 | 102.5 Ų | 102.5 | 77% | 0.766 | 56% | 0.562 | S | S | * | * | trans | -98.9 | 39.6 | -171.4 | 17 | 7 | 0 | 0 | 0 | 110.6 | A24 | A24-P26 WeakPolarHBondContact O-CD 3.34Å; A24-P26 WeakPolarHBondContact O-CG 3.23Å | ||
| 27 | R | 35.5 | Very low | 39.4 | Very low | 203 Ų | 203 | 103.8 Ų | 103.8 | 77% | 0.766 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -129.2 | 107.2 | 177.6 | -69.7 | -162.4 | -178.7 | -178.7 | 2.5 | 111.2 | H25 | H25-R27 VanDerWaalsContact C-N 3.33Å; H25-R27 PolarHBondContact O-N 3.07Å |
| 28 | R | 31.8 | Very low | 41 | Very low | 241 Ų | 241 | 102.9 Ų | 102.9 | 91% | 0.909 | 58% | 0.576 | S | S | * | * | trans | 90 | 93.6 | 172.3 | -61.2 | 175.9 | 177.7 | 164.1 | -1.6 | 115.1 | ||||
| 29 | C | 31.6 | Very low | 42.3 | Very low | 128 Ų | 128 | 102 Ų | 102 | 87% | 0.865 | 57% | 0.571 | S | S | * | * | trans | -78 | 140.9 | 134.5 | -66.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 30 | P | 34.5 | Very low | 43.7 | Very low | 108 Ų | 108 | 102.4 Ų | 102.4 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | -137.1 | 141.2 | 93.8 | 33.5 | -17.8 | 0 | 0 | 0 | 112.4 | |||||
| 31 | D | 31.3 | Very low | 45.5 | Very low | 143 Ų | 143 | 101.2 Ų | 101.2 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 63.3 | 102.1 | 165.6 | -55.9 | -25.8 | 0 | 0 | 0 | 120.1 | ||
| 32 | N | 34.9 | Very low | 47.6 | Very low | 147 Ų | 147 | 96 Ų | 96 | 79% | 0.786 | 54% | 0.543 | S | S | * | . | trans | 81.8 | 117 | 145.8 | -59.7 | -20.4 | 0 | 0 | 0 | 120.4 | ||||
| 33 | T | 31.8 | Very low | 49.6 | Very low | 132 Ų | 132 | 93.3 Ų | 93.3 | 81% | 0.81 | 53% | 0.527 | S | S | * | . | trans | 93.6 | 95 | 152.4 | 46.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 34 | C | 38.3 | Very low | 51.8 | Low | 114 Ų | 114 | 94 Ų | 94 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | 86.7 | 57.9 | 126.1 | -62.1 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 35 | V | 42.6 | Very low | 54.1 | Low | 88 Ų | 88 | 91.2 Ų | 91.2 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | trans | -112.9 | 108.4 | 131.1 | -177.4 | 0 | 0 | 0 | 0 | 106.2 | A23 C37 | A23-V35 HydrophobicContact CB-CG1 4.45Å; V35-C37 PolarHBondContact O-N 3.44Å; V35-C37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | P | 51.3 | Low | 56.5 | Low | 49 Ų | 49 | 84.5 Ų | 84.5 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | trans | -67.7 | 121.1 | 178 | 28.5 | -31.8 | 0 | 0 | 0 | 107.3 | I38 L41 | P36-I38 PolarHBondContact O-N 3.29Å; P36-L41 HydrophobicContact CB-CD2 3.86Å; P36-L41 HydrophobicContact CB-CG 3.71Å; P36-L41 HydrophobicContact CG-CD1 3.95Å; P36-L41 HydrophobicContact CG-CD2 3.43Å; P36-L41 VanDerWaalsContact CG-CD2 3.43Å; P36-L41 HydrophobicContact CG-CG 3.51Å | ||
| 37 | C | 65.2 | Low | 58.8 | Low | 78 Ų | 78 | 82.4 Ų | 82.4 | 53% | 0.527 | 45% | 0.448 | S | S | . | . | trans | -46 | 141.3 | 161.8 | -70 | 0 | 0 | 0 | 0 | 107.3 | V35 G39 S40 L41 | V35-C37 PolarHBondContact O-N 3.44Å; V35-C37 VanDerWaalsContact O-N 3.13Å; C37-G39 CarbonylContact O-C 3.4Å; C37-G39 PolarHBondContact O-N 3.03Å; C37-S40 WeakPolarHBondContact O-CA 3.4Å; C37-S40 WeakPolarHBondContact O-CB 3.49Å; C37-S40 PolarHBondContact O-N 2.9Å; C37-L41 PolarHBondContact O-N 3.27Å; C37-L41 VanDerWaalsContact O-N 3.14Å | ||
| 38 | I | 71.3 | Confident | 61.1 | Low | 62 Ų | 62 | 75.5 Ų | 75.5 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -51.7 | -32.7 | 179.9 | -74.4 | 164.8 | 0 | 0 | 0 | 110.8 | P36 L41 M42 G73 V77 | P36-I38 PolarHBondContact O-N 3.29Å; I38-L41 PolarHBondContact O-N 3.3Å; I38-M42 HydrophobicContact CG2-CG 4.45Å; I38-M42 HydrophobicContact CG2-SD 4.22Å; I38-M42 WeakPolarHBondContact O-CB 3.38Å; I38-M42 VanDerWaalsContact O-CG 3.3Å; I38-M42 WeakPolarHBondContact O-CG 3.29Å; I38-M42 PolarHBondContact O-N 3.19Å; I38-G73 WeakPolarHBondContact CG2-O 3.42Å; I38-V77 HydrophobicContact CG2-CB 3.89Å; I38-V77 HydrophobicContact CG2-CG1 3.68Å |
| 39 | G | 75.1 | Confident | 63.5 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 168 | 0 | 0 | 0 | 0 | 0 | 115.5 | C37 M42 G43 M70 | C37-G39 CarbonylContact O-C 3.4Å; C37-G39 PolarHBondContact O-N 3.03Å; G39-M42 PolarHBondContact O-N 2.88Å; G39-G43 PolarHBondContact O-N 3.12Å; G39-M70 VanDerWaalsContact CA-O 3.26Å; G39-M70 WeakPolarHBondContact CA-O 3.48Å; G39-M70 WeakPolarHBondContact O-CA 3.35Å |
| 40 | S | 78.8 | Confident | 65.8 | Low | 49 Ų | 49 | 57.9 Ų | 57.9 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 174.9 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | C37 L44 | C37-S40 WeakPolarHBondContact O-CA 3.4Å; C37-S40 WeakPolarHBondContact O-CB 3.49Å; C37-S40 PolarHBondContact O-N 2.9Å; S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.38Å; S40-L44 PolarHBondContact O-N 2.72Å |
| 41 | L | 79.2 | Confident | 68.1 | Low | 20 Ų | 20 | 55.2 Ų | 55.2 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 174.8 | -75 | 176.6 | 0 | 0 | 0 | 112 | P36 C37 I38 G45 V178 | P36-L41 HydrophobicContact CB-CD2 3.86Å; P36-L41 HydrophobicContact CB-CG 3.71Å; P36-L41 HydrophobicContact CG-CD1 3.95Å; P36-L41 HydrophobicContact CG-CD2 3.43Å; P36-L41 VanDerWaalsContact CG-CD2 3.43Å; P36-L41 HydrophobicContact CG-CG 3.51Å; C37-L41 PolarHBondContact O-N 3.27Å; C37-L41 VanDerWaalsContact O-N 3.14Å; I38-L41 PolarHBondContact O-N 3.3Å; L41-G45 PolarHBondContact O-N 3.4Å; L41-V178 HydrophobicContact CD2-CG2 4.01Å |
| 42 | M | 81.9 | Confident | 70.4 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70 | -39.8 | 177.8 | -72.8 | -171.8 | 74.2 | 0 | 0 | 112 | I38 G39 G45 D46 M69 G73 V77 F119 | I38-M42 HydrophobicContact CG2-CG 4.45Å; I38-M42 HydrophobicContact CG2-SD 4.22Å; I38-M42 WeakPolarHBondContact O-CB 3.38Å; I38-M42 VanDerWaalsContact O-CG 3.3Å; I38-M42 WeakPolarHBondContact O-CG 3.29Å; I38-M42 PolarHBondContact O-N 3.19Å; G39-M42 PolarHBondContact O-N 2.88Å; M42-G45 PolarHBondContact O-N 2.88Å; M42-D46 WeakPolarHBondContact O-CB 3.37Å; M42-D46 PolarHBondContact O-N 3.17Å; M42-M69 HydrophobicContact CE-SD 3.98Å; M42-G73 WeakPolarHBondContact SD-CA 3.28Å; M42-V77 HydrophobicContact CE-CG2 4.18Å; M42-V77 HydrophobicContact SD-CB 4.05Å; M42-V77 HydrophobicContact SD-CG1 4.32Å; M42-V77 HydrophobicContact SD-CG2 3.66Å; M42-F119 HydrophobicContact CE-CE2 3.38Å; M42-F119 HydrophobicContact CE-CZ 3.37Å |
| 43 | G | 83.1 | Confident | 72.5 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | G39 D46 I47 | G39-G43 PolarHBondContact O-N 3.12Å; G43-D46 WeakPolarHBondContact O-CB 3.35Å; G43-D46 PolarHBondContact O-N 2.51Å; G43-I47 WeakPolarHBondContact O-CG1 3.29Å; G43-I47 PolarHBondContact O-N 2.88Å |
| 44 | L | 83.8 | Confident | 74.6 | Confident | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.4 | -176.1 | 136.5 | 0 | 0 | 0 | 112 | S40 D46 I47 I48 V178 | S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.38Å; S40-L44 PolarHBondContact O-N 2.72Å; L44-D46 VanDerWaalsContact C-N 3.29Å; L44-D46 PolarHBondContact O-N 2.96Å; L44-I47 PolarHBondContact O-N 3.21Å; L44-I48 HydrophobicContact CD2-CD1 3.59Å; L44-I48 HydrophobicContact CG-CD1 4.34Å; L44-I48 WeakPolarHBondContact O-CG1 3.15Å; L44-I48 PolarHBondContact O-N 3.38Å; L44-V178 HydrophobicContact CD2-CB 4.34Å; L44-V178 HydrophobicContact CD2-CG1 3.47Å; L44-V178 VanDerWaalsContact CD2-CG1 3.47Å; L44-V178 HydrophobicContact CD2-CG2 3.85Å |
| 45 | G | 82.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L41 M42 I48 S49 S182 | L41-G45 PolarHBondContact O-N 3.4Å; M42-G45 PolarHBondContact O-N 2.88Å; G45-I48 PolarHBondContact O-N 3.41Å; G45-S49 WeakPolarHBondContact O-CB 3.3Å; G45-S49 PolarHBondContact O-N 3.32Å; G45-S182 WeakPolarHBondContact CA-OG 3.44Å; G45-S182 VanDerWaalsContact O-CA 3.28Å; G45-S182 WeakPolarHBondContact O-CA 3.48Å; G45-S182 WeakPolarHBondContact O-CB 3.36Å; G45-S182 PolarHBondContact O-OG 2.9Å; G45-S182 VanDerWaalsContact O-OG 3.07Å |
| 46 | D | 85 | Confident | 77.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.5 | -171.5 | 75.2 | 0 | 0 | 0 | 112.3 | M42 G43 L44 I48 S49 Q50 R65 T66 M69 S185 | M42-D46 WeakPolarHBondContact O-CB 3.37Å; M42-D46 PolarHBondContact O-N 3.17Å; G43-D46 WeakPolarHBondContact O-CB 3.35Å; G43-D46 PolarHBondContact O-N 2.51Å; L44-D46 VanDerWaalsContact C-N 3.29Å; L44-D46 PolarHBondContact O-N 2.96Å; D46-I48 PolarHBondContact O-N 2.8Å; D46-S49 WeakPolarHBondContact O-CB 2.99Å; D46-S49 PolarHBondContact O-N 2.95Å; D46-Q50 WeakPolarHBondContact O-CG 3.33Å; D46-Q50 PolarHBondContact O-N 3.3Å; D46-Q50 PolarHBondContact OD2-NE2 2.83Å; D46-R65 IonicContact OD1-CZ 2.75Å; D46-R65 IonicContact OD1-NE 2.68Å; D46-R65 PolarHBondContact OD1-NE 2.8Å; D46-R65 IonicContact OD1-NH2 3.5Å; D46-R65 IonicContact OD2-NE 2.68Å; D46-T66 WeakPolarHBondContact OD2-CA 3.28Å; D46-T66 WeakPolarHBondContact OD2-CB 3.32Å; D46-T66 PolarHBondContact OD2-N 3.05Å; D46-T66 PolarHBondContact OD2-OG1 2.68Å; D46-M69 HydrophobicContact CB-CB 4.13Å; D46-M69 HydrophobicContact CB-CG 4.13Å; D46-S185 WeakPolarHBondContact OD1-CB 3.5Å; D46-S185 PolarHBondContact OD1-OG 2.82Å |
| 47 | I | 84.8 | Confident | 78.5 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 174.6 | -67 | 164.7 | 0 | 0 | 0 | 110.7 | G43 L44 S49 Q50 Q51 T66 | G43-I47 WeakPolarHBondContact O-CG1 3.29Å; G43-I47 PolarHBondContact O-N 2.88Å; L44-I47 PolarHBondContact O-N 3.21Å; I47-S49 VanDerWaalsContact C-N 3.33Å; I47-S49 PolarHBondContact O-N 3.25Å; I47-Q50 PolarHBondContact O-N 3.45Å; I47-Q51 HydrophobicContact CG2-CG 4.31Å; I47-Q51 WeakPolarHBondContact O-CB 3.34Å; I47-Q51 WeakPolarHBondContact O-CG 3.42Å; I47-Q51 PolarHBondContact O-N 2.75Å; I47-T66 HydrophobicContact CD1-CG2 4.18Å; I47-T66 HydrophobicContact CG1-CG2 3.91Å |
| 48 | I | 83.7 | Confident | 78.4 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 29% | 0.292 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 177.5 | -69.4 | 168.1 | 0 | 0 | 0 | 110.6 | L44 G45 D46 Q51 L52 V178 | L44-I48 HydrophobicContact CD2-CD1 3.59Å; L44-I48 HydrophobicContact CG-CD1 4.34Å; L44-I48 WeakPolarHBondContact O-CG1 3.15Å; L44-I48 PolarHBondContact O-N 3.38Å; G45-I48 PolarHBondContact O-N 3.41Å; D46-I48 PolarHBondContact O-N 2.8Å; I48-Q51 PolarHBondContact O-N 2.86Å; I48-L52 HydrophobicContact CG2-CB 4.18Å; I48-L52 HydrophobicContact CG2-CD2 4.44Å; I48-L52 WeakPolarHBondContact O-CA 3.43Å; I48-L52 WeakPolarHBondContact O-CB 3.41Å; I48-L52 PolarHBondContact O-N 2.74Å; I48-V178 HydrophobicContact CD1-CG1 3.36Å |
| 49 | S | 84 | Confident | 77.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -57.5 | -50 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | G45 D46 I47 Q51 V53 E54 R65 S182 S185 W186 | G45-S49 WeakPolarHBondContact O-CB 3.3Å; G45-S49 PolarHBondContact O-N 3.32Å; D46-S49 WeakPolarHBondContact O-CB 2.99Å; D46-S49 PolarHBondContact O-N 2.95Å; I47-S49 VanDerWaalsContact C-N 3.33Å; I47-S49 PolarHBondContact O-N 3.25Å; S49-Q51 PolarHBondContact O-N 3.04Å; S49-V53 WeakPolarHBondContact O-CA 3.35Å; S49-V53 VanDerWaalsContact O-CB 3.3Å; S49-V53 WeakPolarHBondContact O-CB 3.37Å; S49-V53 PolarHBondContact O-N 2.98Å; S49-V53 VanDerWaalsContact O-N 3.13Å; S49-E54 PolarHBondContact O-N 3.21Å; S49-R65 PolarHBondContact OG-NH2 3.41Å; S49-S182 WeakPolarHBondContact CB-O 3.26Å; S49-S182 PolarHBondContact OG-O 3.41Å; S49-S185 WeakPolarHBondContact CB-OG 3.3Å; S49-S185 PolarHBondContact OG-OG 2.91Å; S49-W186 WeakPolarHBondContact OG-CA 3.47Å; S49-W186 WeakPolarHBondContact OG-CB 3.31Å; S49-W186 PolarHBondContact OG-N 3.2Å |
| 50 | Q | 79.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -65.1 | -41.2 | -179.2 | -69 | -170.6 | 33.3 | 0 | 0 | 113.3 | D46 I47 R55 R56 H61 Q62 T66 | D46-Q50 WeakPolarHBondContact O-CG 3.33Å; D46-Q50 PolarHBondContact O-N 3.3Å; D46-Q50 PolarHBondContact OD2-NE2 2.83Å; I47-Q50 PolarHBondContact O-N 3.45Å; Q50-R55 PolarHBondContact O-N 2.92Å; Q50-R56 PolarHBondContact O-N 3.28Å; Q50-H61 PolarHBondContact OE1-CE1 3.39Å; Q50-H61 PolarHBondContact OE1-ND1 2.87Å; Q50-Q62 PolarHBondContact NE2-O 2.67Å; Q50-T66 PolarHBondContact NE2-OG1 3.13Å |
| 51 | Q | 82.5 | Confident | 77.6 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -87 | -40 | -173 | -64.7 | -59.1 | -33.5 | 0 | 0 | 113.1 | I47 I48 S49 R55 G57 | I47-Q51 HydrophobicContact CG2-CG 4.31Å; I47-Q51 WeakPolarHBondContact O-CB 3.34Å; I47-Q51 WeakPolarHBondContact O-CG 3.42Å; I47-Q51 PolarHBondContact O-N 2.75Å; I48-Q51 PolarHBondContact O-N 2.86Å; S49-Q51 PolarHBondContact O-N 3.04Å; Q51-R55 WeakPolarHBondContact O-CA 3.33Å; Q51-G57 PolarHBondContact NE2-O 3.46Å; Q51-G57 VanDerWaalsContact OE1-C 3.31Å; Q51-G57 PolarHBondContact OE1-O 3.37Å |
| 52 | L | 79.1 | Confident | 77.5 | Confident | 130 Ų | 130 | 69.9 Ų | 69.9 | 68% | 0.681 | 34% | 0.341 | S | S | * | . | I | π-helix | trans | -96.5 | -42.6 | -172.8 | -157.3 | 93 | 0 | 0 | 0 | 112.6 | I48 | I48-L52 HydrophobicContact CG2-CB 4.18Å; I48-L52 HydrophobicContact CG2-CD2 4.44Å; I48-L52 WeakPolarHBondContact O-CA 3.43Å; I48-L52 WeakPolarHBondContact O-CB 3.41Å; I48-L52 PolarHBondContact O-N 2.74Å |
| 53 | V | 78.9 | Confident | 77.4 | Confident | 74 Ų | 74 | 79.4 Ų | 79.4 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | I | π-helix | trans | -85.9 | -52.1 | -176 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | S49 W186 | S49-V53 WeakPolarHBondContact O-CA 3.35Å; S49-V53 VanDerWaalsContact O-CB 3.3Å; S49-V53 WeakPolarHBondContact O-CB 3.37Å; S49-V53 PolarHBondContact O-N 2.98Å; S49-V53 VanDerWaalsContact O-N 3.13Å; V53-W186 HydrophobicContact CG1-CB 4.42Å; V53-W186 HydrophobicContact CG1-CD2 4.39Å; V53-W186 HydrophobicContact CG1-CG 3.89Å |
| 54 | E | 76.4 | Confident | 77.2 | Confident | 46 Ų | 46 | 81.4 Ų | 81.4 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -86.8 | -13.1 | -178 | -64.5 | 176.7 | -138.4 | 0 | 0 | 113.3 | S49 R56 R65 | S49-E54 PolarHBondContact O-N 3.21Å; E54-R56 HydrophobicContact CB-CG 3.96Å; E54-R56 PolarHBondContact O-N 3.18Å; E54-R56 VanDerWaalsContact O-N 3.1Å; E54-R56 IonicContact OE2-CZ 3.18Å; E54-R56 IonicContact OE2-NE 2.77Å; E54-R56 PolarHBondContact OE2-NE 2.96Å; E54-R56 IonicContact OE2-NH2 2.81Å; E54-R56 PolarHBondContact OE2-NH2 3.33Å; E54-R65 VanDerWaalsContact CD-NH1 3.31Å; E54-R65 IonicContact OE1-CZ 3.55Å; E54-R65 VanDerWaalsContact OE1-CZ 3.26Å; E54-R65 IonicContact OE1-NH1 2.8Å; E54-R65 PolarHBondContact OE1-NH1 3.37Å; E54-R65 IonicContact OE1-NH2 2.88Å; E54-R65 PolarHBondContact OE1-NH2 3.5Å; E54-R65 IonicContact OE2-NH1 3.58Å; E54-R65 PolarHBondContact OE2-NH1 3.42Å; E54-R65 VanDerWaalsContact OE2-NH1 3.12Å |
| 55 | R | 78.1 | Confident | 77 | Confident | 210 Ų | 210 | 77.9 Ų | 77.9 | 79% | 0.792 | 38% | 0.378 | S | S | * | . | trans | 47.7 | 37.4 | 178.4 | -60.6 | -172.4 | 179.7 | -167.9 | 0.8 | 114.1 | Q50 Q51 G57 | Q50-R55 PolarHBondContact O-N 2.92Å; Q51-R55 WeakPolarHBondContact O-CA 3.33Å; R55-G57 PolarHBondContact O-N 3.49Å | ||
| 56 | R | 67.9 | Low | 77 | Confident | 78 Ų | 78 | 78.7 Ų | 78.7 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | trans | -68.8 | -20.7 | -178 | -65.8 | -169.3 | -174.4 | -152.5 | 5.8 | 114 | Q50 E54 E60 | Q50-R56 PolarHBondContact O-N 3.28Å; E54-R56 HydrophobicContact CB-CG 3.96Å; E54-R56 PolarHBondContact O-N 3.18Å; E54-R56 VanDerWaalsContact O-N 3.1Å; E54-R56 IonicContact OE2-CZ 3.18Å; E54-R56 IonicContact OE2-NE 2.77Å; E54-R56 PolarHBondContact OE2-NE 2.96Å; E54-R56 IonicContact OE2-NH2 2.81Å; E54-R56 PolarHBondContact OE2-NH2 3.33Å; R56-E60 HydrophobicContact CB-CB 4.3Å | ||
| 57 | G | 66.9 | Low | 76.9 | Confident | 30 Ų | 30 | 84 Ų | 84 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 171.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q51 R55 Q59 | Q51-G57 PolarHBondContact NE2-O 3.46Å; Q51-G57 VanDerWaalsContact OE1-C 3.31Å; Q51-G57 PolarHBondContact OE1-O 3.37Å; R55-G57 PolarHBondContact O-N 3.49Å; G57-Q59 PolarHBondContact O-N 2.87Å |
| 58 | L | 64.8 | Low | 76.9 | Confident | 150 Ų | 150 | 81.9 Ų | 81.9 | 79% | 0.785 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -26.4 | -173.5 | -68.9 | 172.5 | 0 | 0 | 0 | 113.6 | H61 | L58-H61 WeakPolarHBondContact O-CB 3.48Š|
| 59 | Q | 61 | Low | 76.8 | Confident | 201 Ų | 201 | 79.2 Ų | 79.2 | 94% | 0.939 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -32.2 | -178.3 | -73.7 | -166.3 | -20.3 | 0 | 0 | 113.3 | G57 H61 | G57-Q59 PolarHBondContact O-N 2.87Å; Q59-H61 VanDerWaalsContact C-N 3.32Å |
| 60 | E | 70.3 | Confident | 76.8 | Confident | 136 Ų | 136 | 83 Ų | 83 | 64% | 0.636 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 18.3 | 176.5 | -60.6 | -161 | 163.8 | 0 | 0 | 113.2 | R56 Q62 | R56-E60 HydrophobicContact CB-CB 4.3Å; E60-Q62 PolarHBondContact O-N 3.24Å; E60-Q62 VanDerWaalsContact O-N 3.16Å |
| 61 | H | 76.4 | Confident | 76.8 | Confident | 47 Ų | 47 | 86.3 Ų | 86.3 | 22% | 0.218 | 43% | 0.43 | C | S | . | . | trans | -65.5 | 116.2 | -179.6 | -175.3 | 56.1 | 0 | 0 | 0 | 111.3 | Q50 L58 Q59 R63 | Q50-H61 PolarHBondContact OE1-CE1 3.39Å; Q50-H61 PolarHBondContact OE1-ND1 2.87Å; L58-H61 WeakPolarHBondContact O-CB 3.48Å; Q59-H61 VanDerWaalsContact C-N 3.32Å; H61-R63 PolarHBondContact O-N 3.46Å | ||
| 62 | Q | 77.3 | Confident | 76.9 | Confident | 89 Ų | 89 | 84.3 Ų | 84.3 | 42% | 0.416 | 42% | 0.421 | S | S | . | . | trans | -81.9 | 87.6 | -178.4 | -71.3 | -172.7 | -21.5 | 0 | 0 | 110.7 | Q50 E60 G64 R65 T66 | Q50-Q62 PolarHBondContact NE2-O 2.67Å; E60-Q62 PolarHBondContact O-N 3.24Å; E60-Q62 VanDerWaalsContact O-N 3.16Å; Q62-G64 VanDerWaalsContact C-N 3.26Å; Q62-G64 PolarHBondContact O-N 2.76Å; Q62-R65 HydrophobicContact CB-CB 4.01Å; Q62-R65 WeakPolarHBondContact O-CB 3.45Å; Q62-R65 PolarHBondContact O-N 2.77Å; Q62-T66 PolarHBondContact O-N 2.91Å | ||
| 63 | R | 78.5 | Confident | 76.8 | Confident | 206 Ų | 206 | 78.1 Ų | 78.1 | 78% | 0.777 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.5 | -34.4 | 178.6 | -63.3 | -177.3 | -179 | -179.3 | 0.1 | 113.4 | H61 R65 T66 L67 | H61-R63 PolarHBondContact O-N 3.46Å; R63-R65 VanDerWaalsContact C-N 3.29Å; R63-R65 PolarHBondContact O-N 3.13Å; R63-T66 PolarHBondContact O-N 3.47Å; R63-L67 WeakPolarHBondContact O-CB 3.4Å; R63-L67 PolarHBondContact O-N 3.42Å |
| 64 | G | 79 | Confident | 76.6 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q62 L67 T68 | Q62-G64 VanDerWaalsContact C-N 3.26Å; Q62-G64 PolarHBondContact O-N 2.76Å; G64-L67 PolarHBondContact O-N 3.35Å; G64-T68 PolarHBondContact O-N 3.36Å; G64-T68 PolarHBondContact O-OG1 2.89Å; G64-T68 VanDerWaalsContact O-OG1 3.05Å |
| 65 | R | 79.8 | Confident | 76.4 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 3% | 0.03 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 177.1 | -164.6 | 178.6 | 109.1 | 167.9 | 2.6 | 112.4 | D46 S49 E54 Q62 R63 L67 T68 M69 S185 H189 | D46-R65 IonicContact OD1-CZ 2.75Å; D46-R65 IonicContact OD1-NE 2.68Å; D46-R65 PolarHBondContact OD1-NE 2.8Å; D46-R65 IonicContact OD1-NH2 3.5Å; D46-R65 IonicContact OD2-NE 2.68Å; S49-R65 PolarHBondContact OG-NH2 3.41Å; E54-R65 VanDerWaalsContact CD-NH1 3.31Å; E54-R65 IonicContact OE1-CZ 3.55Å; E54-R65 VanDerWaalsContact OE1-CZ 3.26Å; E54-R65 IonicContact OE1-NH1 2.8Å; E54-R65 PolarHBondContact OE1-NH1 3.37Å; E54-R65 IonicContact OE1-NH2 2.88Å; E54-R65 PolarHBondContact OE1-NH2 3.5Å; E54-R65 IonicContact OE2-NH1 3.58Å; E54-R65 PolarHBondContact OE2-NH1 3.42Å; E54-R65 VanDerWaalsContact OE2-NH1 3.12Å; Q62-R65 HydrophobicContact CB-CB 4.01Å; Q62-R65 WeakPolarHBondContact O-CB 3.45Å; Q62-R65 PolarHBondContact O-N 2.77Å; R63-R65 VanDerWaalsContact C-N 3.29Å; R63-R65 PolarHBondContact O-N 3.13Å; R65-L67 VanDerWaalsContact C-N 3.3Å; R65-L67 PolarHBondContact O-N 3.14Å; R65-T68 WeakPolarHBondContact O-CB 3.34Å; R65-T68 PolarHBondContact O-N 2.72Å; R65-M69 PolarHBondContact O-N 2.95Å; R65-S185 PolarHBondContact NH2-OG 2.89Å; R65-H189 VanDerWaalsContact CD-CD2 3.47Å; R65-H189 WeakPolarHBondContact CD-CD2 3.13Å; R65-H189 VanDerWaalsContact CD-CG 3.44Å; R65-H189 VanDerWaalsContact CG-CD2 3.46Å; R65-H189 WeakPolarHBondContact CG-CD2 3.48Å; R65-H189 VanDerWaalsContact CG-CE1 3.46Å; R65-H189 WeakPolarHBondContact CG-CE1 3.36Å; R65-H189 WeakPolarHBondContact CG-NE2 3.45Å |
| 66 | T | 83.7 | Confident | 76.5 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.5 | -52.8 | 0 | 0 | 0 | 0 | 111 | D46 I47 Q50 Q62 R63 M69 M70 | D46-T66 WeakPolarHBondContact OD2-CA 3.28Å; D46-T66 WeakPolarHBondContact OD2-CB 3.32Å; D46-T66 PolarHBondContact OD2-N 3.05Å; D46-T66 PolarHBondContact OD2-OG1 2.68Å; I47-T66 HydrophobicContact CD1-CG2 4.18Å; I47-T66 HydrophobicContact CG1-CG2 3.91Å; Q50-T66 PolarHBondContact NE2-OG1 3.13Å; Q62-T66 PolarHBondContact O-N 2.91Å; R63-T66 PolarHBondContact O-N 3.47Å; T66-M69 PolarHBondContact O-N 2.91Å; T66-M70 VanDerWaalsContact O-CB 3.29Å; T66-M70 WeakPolarHBondContact O-CB 3.27Å; T66-M70 PolarHBondContact O-N 3.24Å |
| 67 | L | 83.1 | Confident | 77 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 58% | 0.581 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.7 | -40 | 175.8 | -167.1 | 71.3 | 0 | 0 | 0 | 112 | R63 G64 R65 M70 S71 | R63-L67 WeakPolarHBondContact O-CB 3.4Å; R63-L67 PolarHBondContact O-N 3.42Å; G64-L67 PolarHBondContact O-N 3.35Å; R65-L67 VanDerWaalsContact C-N 3.3Å; R65-L67 PolarHBondContact O-N 3.14Å; L67-M70 PolarHBondContact O-N 3.41Å; L67-S71 VanDerWaalsContact O-CB 3.28Å; L67-S71 WeakPolarHBondContact O-CB 3.41Å; L67-S71 PolarHBondContact O-N 3.38Å; L67-S71 PolarHBondContact O-OG 3.03Å |
| 68 | T | 83.9 | Confident | 77.2 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 173.8 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | G64 R65 M70 S71 L72 L126 | G64-T68 PolarHBondContact O-N 3.36Å; G64-T68 PolarHBondContact O-OG1 2.89Å; G64-T68 VanDerWaalsContact O-OG1 3.05Å; R65-T68 WeakPolarHBondContact O-CB 3.34Å; R65-T68 PolarHBondContact O-N 2.72Å; T68-M70 PolarHBondContact O-N 2.97Å; T68-S71 PolarHBondContact O-N 3.27Å; T68-L72 HydrophobicContact CG2-CD1 4.18Å; T68-L72 WeakPolarHBondContact O-CB 3.23Å; T68-L72 WeakPolarHBondContact O-CG 3.29Å; T68-L72 PolarHBondContact O-N 2.99Å; T68-L126 HydrophobicContact CG2-CB 3.82Å; T68-L126 HydrophobicContact CG2-CD1 3.95Å |
| 69 | M | 82.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 177.9 | -77.2 | -56.4 | -145.2 | 0 | 0 | 113 | M42 D46 R65 T66 L72 G73 F119 V123 A188 | M42-M69 HydrophobicContact CE-SD 3.98Å; D46-M69 HydrophobicContact CB-CB 4.13Å; D46-M69 HydrophobicContact CB-CG 4.13Å; R65-M69 PolarHBondContact O-N 2.95Å; T66-M69 PolarHBondContact O-N 2.91Å; M69-L72 HydrophobicContact SD-CD1 4.45Å; M69-G73 PolarHBondContact O-N 2.9Å; M69-F119 HydrophobicContact CE-CE1 4.36Å; M69-F119 HydrophobicContact CE-CZ 3.95Å; M69-F119 HydrophobicContact SD-CZ 3.93Å; M69-V123 HydrophobicContact SD-CG2 4.32Å; M69-A188 HydrophobicContact CE-CB 4.46Å |
| 70 | M | 82.9 | Confident | 78.5 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 39% | 0.394 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 175.2 | -174.2 | 173.5 | -178.3 | 0 | 0 | 111.9 | G39 T66 L67 T68 G73 C74 | G39-M70 VanDerWaalsContact CA-O 3.26Å; G39-M70 WeakPolarHBondContact CA-O 3.48Å; G39-M70 WeakPolarHBondContact O-CA 3.35Å; T66-M70 VanDerWaalsContact O-CB 3.29Å; T66-M70 WeakPolarHBondContact O-CB 3.27Å; T66-M70 PolarHBondContact O-N 3.24Å; L67-M70 PolarHBondContact O-N 3.41Å; T68-M70 PolarHBondContact O-N 2.97Å; M70-G73 PolarHBondContact O-N 2.59Å; M70-C74 PolarHBondContact O-N 3.16Å |
| 71 | S | 81 | Confident | 78.8 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | L67 T68 C74 G75 | L67-S71 VanDerWaalsContact O-CB 3.28Å; L67-S71 WeakPolarHBondContact O-CB 3.41Å; L67-S71 PolarHBondContact O-N 3.38Å; L67-S71 PolarHBondContact O-OG 3.03Å; T68-S71 PolarHBondContact O-N 3.27Å; S71-C74 PolarHBondContact O-N 3.45Å; S71-G75 PolarHBondContact O-N 3.06Å |
| 72 | L | 83.2 | Confident | 78.6 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 173.6 | -78.1 | 178 | 0 | 0 | 0 | 112.3 | T68 M69 C74 F76 V77 F119 L122 V123 L126 | T68-L72 HydrophobicContact CG2-CD1 4.18Å; T68-L72 WeakPolarHBondContact O-CB 3.23Å; T68-L72 WeakPolarHBondContact O-CG 3.29Å; T68-L72 PolarHBondContact O-N 2.99Å; M69-L72 HydrophobicContact SD-CD1 4.45Å; L72-C74 VanDerWaalsContact C-N 3.32Å; L72-C74 PolarHBondContact O-N 3.41Å; L72-F76 HydrophobicContact CD2-CB 4.41Å; L72-F76 WeakPolarHBondContact O-CA 3.16Å; L72-F76 WeakPolarHBondContact O-CB 3.41Å; L72-F76 PolarHBondContact O-N 3.27Å; L72-V77 PolarHBondContact O-N 2.84Å; L72-F119 HydrophobicContact CD1-CE2 4.32Å; L72-L122 HydrophobicContact CD2-CD2 3.43Å; L72-L122 VanDerWaalsContact CD2-CD2 3.43Å; L72-L122 HydrophobicContact CD2-CG 3.74Å; L72-V123 HydrophobicContact CD1-CB 4.26Å; L72-V123 HydrophobicContact CD1-CG2 3.37Å; L72-L126 HydrophobicContact CD1-CD1 3.88Å; L72-L126 HydrophobicContact CD2-CD1 3.45Å; L72-L126 VanDerWaalsContact CD2-CD1 3.45Å; L72-L126 HydrophobicContact CG-CD1 3.65Å |
| 73 | G | 77.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -63.8 | -38.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I38 M42 M69 M70 G78 | I38-G73 WeakPolarHBondContact CG2-O 3.42Å; M42-G73 WeakPolarHBondContact SD-CA 3.28Å; M69-G73 PolarHBondContact O-N 2.9Å; M70-G73 PolarHBondContact O-N 2.59Å; G73-G78 PolarHBondContact O-N 3.14Å |
| 74 | C | 74.8 | Confident | 78.4 | Confident | 64 Ų | 64 | 40.9 Ų | 40.9 | 43% | 0.432 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -77.8 | -44.9 | 176.6 | -75 | 0 | 0 | 0 | 0 | 113.3 | M70 S71 L72 P79 | M70-C74 PolarHBondContact O-N 3.16Å; S71-C74 PolarHBondContact O-N 3.45Å; L72-C74 VanDerWaalsContact C-N 3.32Å; L72-C74 PolarHBondContact O-N 3.41Å; C74-P79 WeakPolarHBondContact O-CD 3.01Å |
| 75 | G | 73.5 | Confident | 78.2 | Confident | 60 Ų | 60 | 43 Ų | 43 | 62% | 0.619 | 27% | 0.265 | S | S | * | . | I | π-helix | trans | -88.6 | -28.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S71 | S71-G75 PolarHBondContact O-N 3.06Å |
| 76 | F | 80 | Confident | 77.8 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 24% | 0.237 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -117.2 | -61.5 | -175.9 | 179.4 | -105.9 | 0 | 0 | 0 | 111.8 | L72 G78 P79 V80 F115 C118 L122 | L72-F76 HydrophobicContact CD2-CB 4.41Å; L72-F76 WeakPolarHBondContact O-CA 3.16Å; L72-F76 WeakPolarHBondContact O-CB 3.41Å; L72-F76 PolarHBondContact O-N 3.27Å; F76-G78 PolarHBondContact O-N 2.93Å; F76-P79 WeakPolarHBondContact O-CD 3.47Å; F76-V80 HydrophobicContact CD2-CG2 3.97Å; F76-V80 HydrophobicContact CE2-CG2 3.83Å; F76-V80 HydrophobicContact CG-CG2 4.46Å; F76-V80 HydrophobicContact CZ-CG2 4.21Å; F76-V80 VanDerWaalsContact O-CB 3.26Å; F76-V80 WeakPolarHBondContact O-CB 3.16Å; F76-V80 WeakPolarHBondContact O-CG2 3.49Å; F76-V80 PolarHBondContact O-N 2.98Å; F76-F115 HydrophobicContact CE1-CE2 4.19Å; F76-C118 HydrophobicContact CZ-CB 3.96Å; F76-L122 HydrophobicContact CB-CD2 4.18Å; F76-L122 HydrophobicContact CD1-CD2 3.85Å; F76-L122 HydrophobicContact CD2-CD2 4.01Å; F76-L122 HydrophobicContact CE1-CD2 4.22Å; F76-L122 HydrophobicContact CE2-CD2 4.37Å; F76-L122 HydrophobicContact CG-CD2 3.74Å; F76-L122 HydrophobicContact CZ-CD2 4.47Å |
| 77 | V | 76.8 | Confident | 77.7 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -64 | -44.7 | -172.1 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | I38 M42 L72 V80 V81 F115 F119 | I38-V77 HydrophobicContact CG2-CB 3.89Å; I38-V77 HydrophobicContact CG2-CG1 3.68Å; M42-V77 HydrophobicContact CE-CG2 4.18Å; M42-V77 HydrophobicContact SD-CB 4.05Å; M42-V77 HydrophobicContact SD-CG1 4.32Å; M42-V77 HydrophobicContact SD-CG2 3.66Å; L72-V77 PolarHBondContact O-N 2.84Å; V77-V80 PolarHBondContact O-N 2.92Å; V77-V81 HydrophobicContact CG1-CG2 3.75Å; V77-V81 WeakPolarHBondContact O-CB 3.35Å; V77-V81 WeakPolarHBondContact O-CG2 3.38Å; V77-V81 PolarHBondContact O-N 3.3Å; V77-F115 HydrophobicContact CB-CE2 4.33Å; V77-F115 HydrophobicContact CB-CZ 4.33Å; V77-F115 HydrophobicContact CG1-CE2 3.92Å; V77-F115 HydrophobicContact CG1-CZ 3.73Å; V77-F115 HydrophobicContact CG2-CE2 4.02Å; V77-F115 HydrophobicContact CG2-CZ 3.81Å; V77-F119 HydrophobicContact CG2-CD2 4.05Å; V77-F119 HydrophobicContact CG2-CE2 4Å |
| 78 | G | 72.7 | Confident | 77.4 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.6 | -57.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | G73 F76 G82 | G73-G78 PolarHBondContact O-N 3.14Å; F76-G78 PolarHBondContact O-N 2.93Å; G78-G82 PolarHBondContact O-N 2.9Å |
| 79 | P | 75.7 | Confident | 77 | Confident | 79 Ų | 79 | 46.2 Ų | 46.2 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.3 | -27.2 | 35.9 | 0 | 0 | 0 | 113.6 | C74 F76 G83 | C74-P79 WeakPolarHBondContact O-CD 3.01Å; F76-P79 WeakPolarHBondContact O-CD 3.47Å; P79-G83 PolarHBondContact O-N 3.27Å |
| 80 | V | 76.8 | Confident | 76.9 | Confident | 52 Ų | 52 | 56.8 Ų | 56.8 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.4 | -49.5 | -177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | F76 V77 G83 W84 F111 F115 | F76-V80 HydrophobicContact CD2-CG2 3.97Å; F76-V80 HydrophobicContact CE2-CG2 3.83Å; F76-V80 HydrophobicContact CG-CG2 4.46Å; F76-V80 HydrophobicContact CZ-CG2 4.21Å; F76-V80 VanDerWaalsContact O-CB 3.26Å; F76-V80 WeakPolarHBondContact O-CB 3.16Å; F76-V80 WeakPolarHBondContact O-CG2 3.49Å; F76-V80 PolarHBondContact O-N 2.98Å; V77-V80 PolarHBondContact O-N 2.92Å; V80-G83 PolarHBondContact O-N 2.79Å; V80-W84 WeakPolarHBondContact O-CB 3.22Å; V80-W84 PolarHBondContact O-N 3.07Å; V80-F111 HydrophobicContact CG1-CE2 3.76Å; V80-F111 HydrophobicContact CG1-CZ 3.92Å; V80-F115 HydrophobicContact CG1-CD2 4.34Å |
| 81 | V | 76.4 | Confident | 76.8 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 17% | 0.17 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 178 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | V77 G83 W84 Y85 F111 F115 | V77-V81 HydrophobicContact CG1-CG2 3.75Å; V77-V81 WeakPolarHBondContact O-CB 3.35Å; V77-V81 WeakPolarHBondContact O-CG2 3.38Å; V77-V81 PolarHBondContact O-N 3.3Å; V81-G83 VanDerWaalsContact C-N 3.32Å; V81-G83 PolarHBondContact O-N 3.47Å; V81-W84 PolarHBondContact O-N 2.84Å; V81-Y85 HydrophobicContact CG1-CD2 3.69Å; V81-Y85 HydrophobicContact CG1-CE2 3.42Å; V81-Y85 VanDerWaalsContact CG1-CE2 3.42Å; V81-Y85 VanDerWaalsContact O-CD2 3.26Å; V81-Y85 WeakPolarHBondContact O-CD2 3.48Å; V81-Y85 PolarHBondContact O-N 3.16Å; V81-F111 HydrophobicContact CG2-CE1 4.16Å; V81-F111 HydrophobicContact CG2-CZ 3.92Å; V81-F115 HydrophobicContact CG2-CE2 4.37Å |
| 82 | G | 71.9 | Confident | 76.9 | Confident | 26 Ų | 26 | 58 Ų | 58 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | G78 K86 | G78-G82 PolarHBondContact O-N 2.9Å; G82-K86 WeakPolarHBondContact O-CG 3.25Å; G82-K86 PolarHBondContact O-N 3.33Å |
| 83 | G | 72.8 | Confident | 76.4 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P79 V80 V81 Y85 K86 V87 | P79-G83 PolarHBondContact O-N 3.27Å; V80-G83 PolarHBondContact O-N 2.79Å; V81-G83 VanDerWaalsContact C-N 3.32Å; V81-G83 PolarHBondContact O-N 3.47Å; G83-Y85 PolarHBondContact O-N 3.33Å; G83-K86 WeakPolarHBondContact O-CB 3.14Å; G83-K86 PolarHBondContact O-N 3.32Å; G83-V87 WeakPolarHBondContact O-CG2 3.47Å; G83-V87 PolarHBondContact O-N 2.99Å; G83-V87 VanDerWaalsContact O-N 3.14Å |
| 84 | W | 79.9 | Confident | 76.2 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 179.2 | 177.9 | -118.9 | 0 | 0 | 0 | 113 | V80 V81 K86 V87 L88 D107 F111 | V80-W84 WeakPolarHBondContact O-CB 3.22Å; V80-W84 PolarHBondContact O-N 3.07Å; V81-W84 PolarHBondContact O-N 2.84Å; W84-K86 VanDerWaalsContact C-N 3.32Å; W84-K86 PolarHBondContact O-N 3.3Å; W84-V87 HydrophobicContact CE3-CB 4.28Å; W84-V87 HydrophobicContact CE3-CG1 4.26Å; W84-V87 HydrophobicContact CZ3-CG1 4.1Å; W84-V87 WeakPolarHBondContact O-CA 3.2Å; W84-V87 WeakPolarHBondContact O-CB 3.21Å; W84-V87 PolarHBondContact O-N 3.49Å; W84-L88 HydrophobicContact CD2-CG 4.29Å; W84-L88 HydrophobicContact CG-CD1 4.48Å; W84-L88 HydrophobicContact CZ2-CD1 4.45Å; W84-L88 HydrophobicContact CZ2-CD2 3.77Å; W84-L88 HydrophobicContact CZ2-CG 4Å; W84-L88 VanDerWaalsContact NE1-CD1 3.32Å; W84-L88 PolarHBondContact O-N 3.29Å; W84-D107 PolarHBondContact NE1-OD1 3.4Å; W84-F111 HydrophobicContact CB-CD2 3.86Å; W84-F111 HydrophobicContact CB-CE2 3.58Å; W84-F111 HydrophobicContact CB-CG 4.5Å; W84-F111 HydrophobicContact CB-CZ 4.01Å; W84-F111 AromaticContact CD1-CD1 3.58Å; W84-F111 AromaticContact CD1-CD2 3.63Å; W84-F111 AromaticContact CD1-CE1 3.95Å; W84-F111 AromaticContact CD1-CE2 3.99Å; W84-F111 AromaticContact CD1-CG 3.41Å; W84-F111 VanDerWaalsContact CD1-CG 3.41Å; W84-F111 HydrophobicContact CD2-CB 3.94Å; W84-F111 AromaticContact CD2-CD2 3.55Å; W84-F111 HydrophobicContact CD2-CD2 3.55Å; W84-F111 HydrophobicContact CD2-CE2 4.23Å; W84-F111 AromaticContact CD2-CG 3.84Å; W84-F111 HydrophobicContact CD2-CG 3.84Å; W84-F111 AromaticContact CE2-CD2 3.91Å; W84-F111 AromaticContact CE2-CG 3.69Å; W84-F111 HydrophobicContact CE3-CD2 4.09Å; W84-F111 HydrophobicContact CG-CB 4.27Å; W84-F111 HydrophobicContact CG-CD1 4.19Å; W84-F111 AromaticContact CG-CD2 3.4Å; W84-F111 HydrophobicContact CG-CD2 3.4Å; W84-F111 VanDerWaalsContact CG-CD2 3.4Å; W84-F111 HydrophobicContact CG-CE1 4.41Å; W84-F111 AromaticContact CG-CE2 3.66Å; W84-F111 HydrophobicContact CG-CE2 3.66Å; W84-F111 AromaticContact CG-CG 3.7Å; W84-F111 HydrophobicContact CG-CG 3.7Å; W84-F111 HydrophobicContact CG-CZ 4.16Å; W84-F111 HydrophobicContact CH2-CB 4.36Å; W84-F111 HydrophobicContact CZ2-CB 3.61Å; W84-F111 HydrophobicContact CZ2-CG 4.42Å; W84-F111 VanDerWaalsContact NE1-CB 3.27Å; W84-F111 AromaticContact NE1-CD1 3.75Å; W84-F111 AromaticContact NE1-CD2 3.88Å; W84-F111 AromaticContact NE1-CG 3.36Å |
| 85 | Y | 73.3 | Confident | 75.8 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 37% | 0.365 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 175.1 | -81.7 | -61.6 | 0 | 0 | 0 | 111.6 | V81 G83 V87 L88 D89 | V81-Y85 HydrophobicContact CG1-CD2 3.69Å; V81-Y85 HydrophobicContact CG1-CE2 3.42Å; V81-Y85 VanDerWaalsContact CG1-CE2 3.42Å; V81-Y85 VanDerWaalsContact O-CD2 3.26Å; V81-Y85 WeakPolarHBondContact O-CD2 3.48Å; V81-Y85 PolarHBondContact O-N 3.16Å; G83-Y85 PolarHBondContact O-N 3.33Å; Y85-V87 PolarHBondContact O-N 3.34Å; Y85-L88 HydrophobicContact CD1-CD1 4.1Å; Y85-L88 HydrophobicContact CE1-CD1 4.37Å; Y85-L88 WeakPolarHBondContact O-CB 3.21Å; Y85-L88 PolarHBondContact O-N 3.1Å; Y85-L88 VanDerWaalsContact O-N 3.07Å; Y85-D89 VanDerWaalsContact C-OD2 3.3Å; Y85-D89 WeakPolarHBondContact O-CB 3.26Å; Y85-D89 PolarHBondContact O-N 3.49Å |
| 86 | K | 72.4 | Confident | 75.9 | Confident | 150 Ų | 150 | 64.1 Ų | 64.1 | 65% | 0.652 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.6 | -37.3 | 175.2 | -66.9 | 172.4 | -176.8 | 176.1 | 0 | 112.6 | G82 G83 W84 R90 | G82-K86 WeakPolarHBondContact O-CG 3.25Å; G82-K86 PolarHBondContact O-N 3.33Å; G83-K86 WeakPolarHBondContact O-CB 3.14Å; G83-K86 PolarHBondContact O-N 3.32Å; W84-K86 VanDerWaalsContact C-N 3.32Å; W84-K86 PolarHBondContact O-N 3.3Å; K86-R90 PolarHBondContact O-N 3.06Å; K86-R90 VanDerWaalsContact O-N 3.17Å |
| 87 | V | 80.6 | Confident | 75.4 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 35% | 0.345 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67 | -49.6 | 175.7 | 173 | 0 | 0 | 0 | 0 | 110.6 | G83 W84 Y85 D89 R90 F91 | G83-V87 WeakPolarHBondContact O-CG2 3.47Å; G83-V87 PolarHBondContact O-N 2.99Å; G83-V87 VanDerWaalsContact O-N 3.14Å; W84-V87 HydrophobicContact CE3-CB 4.28Å; W84-V87 HydrophobicContact CE3-CG1 4.26Å; W84-V87 HydrophobicContact CZ3-CG1 4.1Å; W84-V87 WeakPolarHBondContact O-CA 3.2Å; W84-V87 WeakPolarHBondContact O-CB 3.21Å; W84-V87 PolarHBondContact O-N 3.49Å; Y85-V87 PolarHBondContact O-N 3.34Å; V87-D89 PolarHBondContact O-N 3.37Å; V87-R90 WeakPolarHBondContact O-CB 3.5Å; V87-R90 PolarHBondContact O-N 3.43Å; V87-F91 HydrophobicContact CG1-CD2 3.57Å; V87-F91 HydrophobicContact CG1-CE2 3.49Å; V87-F91 VanDerWaalsContact CG1-CE2 3.49Å; V87-F91 VanDerWaalsContact O-CD2 3.27Å; V87-F91 WeakPolarHBondContact O-CD2 3.42Å; V87-F91 PolarHBondContact O-N 2.8Å |
| 88 | L | 76.7 | Confident | 75.4 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -55.9 | -37.8 | 176.2 | -77.5 | 174.3 | 0 | 0 | 0 | 112.5 | W84 Y85 R90 F91 I92 K103 L106 | W84-L88 HydrophobicContact CD2-CG 4.29Å; W84-L88 HydrophobicContact CG-CD1 4.48Å; W84-L88 HydrophobicContact CZ2-CD1 4.45Å; W84-L88 HydrophobicContact CZ2-CD2 3.77Å; W84-L88 HydrophobicContact CZ2-CG 4Å; W84-L88 VanDerWaalsContact NE1-CD1 3.32Å; W84-L88 PolarHBondContact O-N 3.29Å; Y85-L88 HydrophobicContact CD1-CD1 4.1Å; Y85-L88 HydrophobicContact CE1-CD1 4.37Å; Y85-L88 WeakPolarHBondContact O-CB 3.21Å; Y85-L88 PolarHBondContact O-N 3.1Å; Y85-L88 VanDerWaalsContact O-N 3.07Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-F91 PolarHBondContact O-N 2.87Å; L88-I92 PolarHBondContact O-N 3.1Å; L88-K103 HydrophobicContact CB-CG 4.4Å; L88-L106 HydrophobicContact CD2-CB 3.81Å; L88-L106 HydrophobicContact CD2-CD1 4.04Å |
| 89 | D | 75.6 | Confident | 75.6 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 13% | 0.128 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -74.6 | -26.2 | -179.5 | -62.7 | -38.9 | 0 | 0 | 0 | 113.6 | W16 Y85 V87 I92 P93 K103 | W16-D89 HydrophobicContact CH2-CB 3.26Å; W16-D89 WeakPolarHBondContact CH2-OD1 3.46Å; W16-D89 WeakPolarHBondContact CH2-OD2 3.16Å; W16-D89 HydrophobicContact CZ2-CB 3.94Å; W16-D89 WeakPolarHBondContact CZ2-OD1 3.39Å; W16-D89 HydrophobicContact CZ3-CB 3.79Å; W16-D89 WeakPolarHBondContact CZ3-OD1 3.36Å; W16-D89 WeakPolarHBondContact CZ3-OD2 3.08Å; Y85-D89 VanDerWaalsContact C-OD2 3.3Å; Y85-D89 WeakPolarHBondContact O-CB 3.26Å; Y85-D89 PolarHBondContact O-N 3.49Å; V87-D89 PolarHBondContact O-N 3.37Å; D89-I92 CarbonylContact O-C 3.51Å; D89-P93 WeakPolarHBondContact O-CA 3.15Å; D89-K103 IonicContact OD1-NZ 2.72Å; D89-K103 PolarHBondContact OD1-NZ 3.37Å |
| 90 | R | 81.4 | Confident | 75.5 | Confident | 223 Ų | 223 | 69.3 Ų | 69.3 | 84% | 0.842 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -75.4 | -39.9 | 171.9 | -174 | 172.9 | -179.1 | 164.9 | -0.2 | 111.3 | K86 V87 L88 | K86-R90 PolarHBondContact O-N 3.06Å; K86-R90 VanDerWaalsContact O-N 3.17Å; V87-R90 WeakPolarHBondContact O-CB 3.5Å; V87-R90 PolarHBondContact O-N 3.43Å; L88-R90 VanDerWaalsContact C-N 3.33Å |
| 91 | F | 81.2 | Confident | 75.6 | Confident | 156 Ų | 156 | 70.6 Ų | 70.6 | 68% | 0.684 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -74.7 | -35.5 | 177.4 | -79.4 | -69.9 | 0 | 0 | 0 | 112.9 | V87 L88 | V87-F91 HydrophobicContact CG1-CD2 3.57Å; V87-F91 HydrophobicContact CG1-CE2 3.49Å; V87-F91 VanDerWaalsContact CG1-CE2 3.49Å; V87-F91 VanDerWaalsContact O-CD2 3.27Å; V87-F91 WeakPolarHBondContact O-CD2 3.42Å; V87-F91 PolarHBondContact O-N 2.8Å; L88-F91 PolarHBondContact O-N 2.87Å |
| 92 | I | 81.5 | Confident | 75.9 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 9% | 0.092 | 38% | 0.382 | C | S | . | . | trans | -128.8 | 85.5 | -179.3 | -55 | 169.3 | 0 | 0 | 0 | 108.2 | L88 D89 G94 D99 K102 K103 L106 | L88-I92 PolarHBondContact O-N 3.1Å; D89-I92 CarbonylContact O-C 3.51Å; I92-G94 PolarHBondContact O-N 3.4Å; I92-D99 HydrophobicContact CG2-CB 3.67Å; I92-K102 HydrophobicContact CD1-CB 3.58Å; I92-K103 HydrophobicContact CB-CG 4.01Å; I92-K103 HydrophobicContact CD1-CB 4.47Å; I92-K103 HydrophobicContact CD1-CG 3.72Å; I92-K103 HydrophobicContact CG1-CG 4.44Å; I92-K103 HydrophobicContact CG2-CG 4.23Å; I92-K103 WeakPolarHBondContact O-CE 3.39Å; I92-K103 PolarHBondContact O-NZ 3.01Å; I92-L106 HydrophobicContact CD1-CD1 3.51Å; I92-L106 HydrophobicContact CG1-CD1 4.35Å | ||
| 93 | P | 74.3 | Confident | 76.4 | Confident | 95 Ų | 95 | 74.3 Ų | 74.3 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | trans | -72.3 | -13.1 | -177.8 | 28 | -34.3 | 0 | 0 | 0 | 113.2 | D89 | D89-P93 WeakPolarHBondContact O-CA 3.15Š| ||
| 94 | G | 71.6 | Confident | 76.9 | Confident | 23 Ų | 23 | 73.9 Ų | 73.9 | 24% | 0.237 | 36% | 0.363 | C | S | . | . | trans | -68.8 | 156.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I92 D99 | I92-G94 PolarHBondContact O-N 3.4Å; G94-D99 WeakPolarHBondContact CA-OD2 3.27Å | ||
| 95 | T | 67.1 | Low | 77.2 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 41% | 0.411 | 38% | 0.384 | S | S | . | . | trans | -119.2 | 6.6 | -177 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | D99 | T95-D99 PolarHBondContact N-OD2 3.48Š| ||
| 96 | T | 74.9 | Confident | 77.8 | Confident | 77 Ų | 77 | 77 Ų | 77 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -73.4 | 166.2 | -179.1 | 72 | 0 | 0 | 0 | 0 | 111.1 | V98 D99 A100 | T96-V98 PolarHBondContact O-N 2.85Å; T96-V98 PolarHBondContact OG1-N 3.23Å; T96-D99 WeakPolarHBondContact CB-OD2 3.45Å; T96-D99 WeakPolarHBondContact CG2-OD2 3.26Å; T96-D99 PolarHBondContact N-OD2 2.85Å; T96-D99 WeakPolarHBondContact O-CB 3.25Å; T96-D99 PolarHBondContact O-N 3.44Å; T96-D99 VanDerWaalsContact O-N 3.14Å; T96-D99 PolarHBondContact OG1-N 2.83Å; T96-D99 PolarHBondContact OG1-OD2 3.34Å; T96-A100 PolarHBondContact O-N 2.87Å |
| 97 | K | 69.9 | Low | 78.4 | Confident | 137 Ų | 137 | 71.2 Ų | 71.2 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.5 | -33.8 | 173.9 | -62.4 | -174.3 | -176.1 | -174.4 | 0 | 112 | A100 L101 | K97-A100 PolarHBondContact O-N 3.12Å; K97-L101 PolarHBondContact O-N 3.1Å |
| 98 | V | 76.4 | Confident | 78.6 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 53% | 0.527 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | T96 A100 L101 K102 | T96-V98 PolarHBondContact O-N 2.85Å; T96-V98 PolarHBondContact OG1-N 3.23Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-L101 PolarHBondContact O-N 3.28Å; V98-K102 HydrophobicContact CG1-CD 4.49Å; V98-K102 WeakPolarHBondContact O-CG 3.44Å; V98-K102 PolarHBondContact O-N 2.85Å |
| 99 | D | 77.2 | Confident | 78.9 | Confident | 24 Ų | 24 | 72 Ų | 72 | 13% | 0.128 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 175.5 | -60 | -45.5 | 0 | 0 | 0 | 111.7 | I92 G94 T95 T96 L101 K102 K103 | I92-D99 HydrophobicContact CG2-CB 3.67Å; G94-D99 WeakPolarHBondContact CA-OD2 3.27Å; T95-D99 PolarHBondContact N-OD2 3.48Å; T96-D99 WeakPolarHBondContact CB-OD2 3.45Å; T96-D99 WeakPolarHBondContact CG2-OD2 3.26Å; T96-D99 PolarHBondContact N-OD2 2.85Å; T96-D99 WeakPolarHBondContact O-CB 3.25Å; T96-D99 PolarHBondContact O-N 3.44Å; T96-D99 VanDerWaalsContact O-N 3.14Å; T96-D99 PolarHBondContact OG1-N 2.83Å; T96-D99 PolarHBondContact OG1-OD2 3.34Å; D99-L101 VanDerWaalsContact C-N 3.35Å; D99-K102 PolarHBondContact O-N 3.47Å; D99-K103 WeakPolarHBondContact O-CB 3.43Å; D99-K103 WeakPolarHBondContact O-CG 3.36Å; D99-K103 PolarHBondContact O-N 3.48Å |
| 100 | A | 73.8 | Confident | 79.4 | Confident | 24 Ų | 24 | 72.4 Ų | 72.4 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | T96 K97 V98 K103 M104 F161 | T96-A100 PolarHBondContact O-N 2.87Å; K97-A100 PolarHBondContact O-N 3.12Å; V98-A100 VanDerWaalsContact C-N 3.33Å; A100-K103 PolarHBondContact O-N 3.36Å; A100-M104 WeakPolarHBondContact O-CB 3.29Å; A100-M104 PolarHBondContact O-N 3.02Å; A100-F161 HydrophobicContact CB-CD1 4.41Å; A100-F161 HydrophobicContact CB-CE1 3.7Å; A100-F161 HydrophobicContact CB-CE2 3.97Å; A100-F161 HydrophobicContact CB-CZ 3.46Å; A100-F161 VanDerWaalsContact CB-CZ 3.46Å |
| 101 | L | 79.6 | Confident | 79.7 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 41% | 0.414 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 173 | -176.4 | 61.4 | 0 | 0 | 0 | 111.6 | K97 V98 D99 K103 M104 M105 | K97-L101 PolarHBondContact O-N 3.1Å; V98-L101 PolarHBondContact O-N 3.28Å; D99-L101 VanDerWaalsContact C-N 3.35Å; L101-K103 PolarHBondContact O-N 3Å; L101-M104 HydrophobicContact CD1-CE 3.4Å; L101-M104 VanDerWaalsContact CD1-CE 3.4Å; L101-M104 WeakPolarHBondContact O-CB 3.36Å; L101-M104 PolarHBondContact O-N 3.4Å; L101-M105 WeakPolarHBondContact O-CG 3.35Å; L101-M105 PolarHBondContact O-N 3.21Å |
| 102 | K | 82.1 | Confident | 80 | Confident | 111 Ų | 111 | 56 Ų | 56 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 176.5 | -71.6 | 173.1 | 178.8 | 175.5 | 0 | 112 | I92 V98 D99 M104 M105 L106 | I92-K102 HydrophobicContact CD1-CB 3.58Å; V98-K102 HydrophobicContact CG1-CD 4.49Å; V98-K102 WeakPolarHBondContact O-CG 3.44Å; V98-K102 PolarHBondContact O-N 2.85Å; D99-K102 PolarHBondContact O-N 3.47Å; K102-M104 VanDerWaalsContact C-N 3.32Å; K102-M104 PolarHBondContact O-N 3.46Å; K102-M105 PolarHBondContact O-N 3.03Å; K102-L106 PolarHBondContact O-N 3.45Å |
| 103 | K | 81.8 | Confident | 80.3 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 174.5 | -74.3 | 179 | -177.1 | -175.2 | 0 | 111.4 | L88 D89 I92 D99 A100 L101 L106 D107 | L88-K103 HydrophobicContact CB-CG 4.4Å; D89-K103 IonicContact OD1-NZ 2.72Å; D89-K103 PolarHBondContact OD1-NZ 3.37Å; I92-K103 HydrophobicContact CB-CG 4.01Å; I92-K103 HydrophobicContact CD1-CB 4.47Å; I92-K103 HydrophobicContact CD1-CG 3.72Å; I92-K103 HydrophobicContact CG1-CG 4.44Å; I92-K103 HydrophobicContact CG2-CG 4.23Å; I92-K103 WeakPolarHBondContact O-CE 3.39Å; I92-K103 PolarHBondContact O-NZ 3.01Å; D99-K103 WeakPolarHBondContact O-CB 3.43Å; D99-K103 WeakPolarHBondContact O-CG 3.36Å; D99-K103 PolarHBondContact O-N 3.48Å; A100-K103 PolarHBondContact O-N 3.36Å; L101-K103 PolarHBondContact O-N 3Å; K103-L106 PolarHBondContact O-N 2.86Å; K103-D107 VanDerWaalsContact O-CB 3.29Å; K103-D107 WeakPolarHBondContact O-CB 3.43Å; K103-D107 PolarHBondContact O-N 3.25Å |
| 104 | M | 83.7 | Confident | 81.1 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175 | 175.6 | 171.5 | 64.4 | 0 | 0 | 112.1 | A100 L101 K102 L106 D107 Q108 Q157 | A100-M104 WeakPolarHBondContact O-CB 3.29Å; A100-M104 PolarHBondContact O-N 3.02Å; L101-M104 HydrophobicContact CD1-CE 3.4Å; L101-M104 VanDerWaalsContact CD1-CE 3.4Å; L101-M104 WeakPolarHBondContact O-CB 3.36Å; L101-M104 PolarHBondContact O-N 3.4Å; K102-M104 VanDerWaalsContact C-N 3.32Å; K102-M104 PolarHBondContact O-N 3.46Å; M104-L106 VanDerWaalsContact C-N 3.32Å; M104-L106 PolarHBondContact O-N 3.3Å; M104-D107 WeakPolarHBondContact O-CB 3.27Å; M104-D107 PolarHBondContact O-N 2.83Å; M104-Q108 HydrophobicContact CG-CG 4.08Å; M104-Q108 WeakPolarHBondContact O-CB 2.93Å; M104-Q108 VanDerWaalsContact O-CG 3.25Å; M104-Q108 WeakPolarHBondContact O-CG 3.37Å; M104-Q108 PolarHBondContact O-N 2.87Å; M104-Q157 HydrophobicContact CE-CB 4.07Å; M104-Q157 HydrophobicContact SD-CB 3.12Å; M104-Q157 WeakPolarHBondContact SD-CB 3.19Å; M104-Q157 HydrophobicContact SD-CG 3.54Å; M104-Q157 VanDerWaalsContact SD-CG 3.54Å |
| 105 | M | 85.8 | Confident | 81.9 | Confident | 135 Ų | 135 | 55.8 Ų | 55.8 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.7 | -38.7 | 179.3 | -67.1 | -165.6 | 87.1 | 0 | 0 | 112.1 | L101 K102 G109 | L101-M105 WeakPolarHBondContact O-CG 3.35Å; L101-M105 PolarHBondContact O-N 3.21Å; K102-M105 PolarHBondContact O-N 3.03Å; M105-G109 PolarHBondContact O-N 3.03Å |
| 106 | L | 87.2 | Confident | 82.9 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 44% | 0.44 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 173.3 | -74.5 | 172.3 | 0 | 0 | 0 | 112.3 | L88 I92 K102 K103 M104 G110 | L88-L106 HydrophobicContact CD2-CB 3.81Å; L88-L106 HydrophobicContact CD2-CD1 4.04Å; I92-L106 HydrophobicContact CD1-CD1 3.51Å; I92-L106 HydrophobicContact CG1-CD1 4.35Å; K102-L106 PolarHBondContact O-N 3.45Å; K103-L106 PolarHBondContact O-N 2.86Å; M104-L106 VanDerWaalsContact C-N 3.32Å; M104-L106 PolarHBondContact O-N 3.3Å; L106-G110 PolarHBondContact O-N 3.13Å |
| 107 | D | 84.6 | Confident | 83.6 | Confident | 29 Ų | 29 | 50 Ų | 50 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -61.4 | -49.3 | 177.8 | -173.1 | 69.4 | 0 | 0 | 0 | 111.3 | W84 K103 M104 F111 A112 | W84-D107 PolarHBondContact NE1-OD1 3.4Å; K103-D107 VanDerWaalsContact O-CB 3.29Å; K103-D107 WeakPolarHBondContact O-CB 3.43Å; K103-D107 PolarHBondContact O-N 3.25Å; M104-D107 WeakPolarHBondContact O-CB 3.27Å; M104-D107 PolarHBondContact O-N 2.83Å; D107-F111 CarbonylContact O-C 3.57Å; D107-F111 WeakPolarHBondContact O-CA 3.22Å; D107-F111 WeakPolarHBondContact O-CB 3.37Å; D107-F111 PolarHBondContact O-N 2.91Å; D107-F111 VanDerWaalsContact OD1-CD1 3.25Å; D107-F111 WeakPolarHBondContact OD1-CD1 3.07Å; D107-A112 PolarHBondContact O-N 2.93Å |
| 108 | Q | 84.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 47 Ų | 47 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -70.1 | -42.1 | 178.9 | -61 | -63.7 | -64.4 | 0 | 0 | 111.6 | M104 P113 N149 Y150 P154 | M104-Q108 HydrophobicContact CG-CG 4.08Å; M104-Q108 WeakPolarHBondContact O-CB 2.93Å; M104-Q108 VanDerWaalsContact O-CG 3.25Å; M104-Q108 WeakPolarHBondContact O-CG 3.37Å; M104-Q108 PolarHBondContact O-N 2.87Å; Q108-P113 VanDerWaalsContact O-CD 3.28Å; Q108-P113 WeakPolarHBondContact O-CD 3.46Å; Q108-N149 PolarHBondContact OE1-ND2 3.44Å; Q108-Y150 HydrophobicContact CB-CD1 4.28Å; Q108-Y150 HydrophobicContact CB-CE1 4.08Å; Q108-Y150 WeakPolarHBondContact O-CE1 3.24Å; Q108-Y150 PolarHBondContact O-OH 2.97Å; Q108-Y150 VanDerWaalsContact O-OH 3.08Å; Q108-P154 HydrophobicContact CG-CG 4.21Å |
| 109 | G | 84.1 | Confident | 85.1 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | I | π-helix | trans | -72.5 | -31 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | M105 | M105-G109 PolarHBondContact O-N 3.03Å |
| 110 | G | 85.9 | Confident | 85.7 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -121.7 | -49.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | L106 P113 C114 | L106-G110 PolarHBondContact O-N 3.13Å; G110-P113 WeakPolarHBondContact O-CG 3.46Å; G110-C114 PolarHBondContact O-SG 3.2Å |
| 111 | F | 86.6 | Confident | 86.4 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -77.5 | -46.3 | -172.4 | -179.6 | -104.6 | 0 | 0 | 0 | 112.9 | V80 V81 W84 D107 C114 F115 | V80-F111 HydrophobicContact CG1-CE2 3.76Å; V80-F111 HydrophobicContact CG1-CZ 3.92Å; V81-F111 HydrophobicContact CG2-CE1 4.16Å; V81-F111 HydrophobicContact CG2-CZ 3.92Å; W84-F111 HydrophobicContact CB-CD2 3.86Å; W84-F111 HydrophobicContact CB-CE2 3.58Å; W84-F111 HydrophobicContact CB-CG 4.5Å; W84-F111 HydrophobicContact CB-CZ 4.01Å; W84-F111 AromaticContact CD1-CD1 3.58Å; W84-F111 AromaticContact CD1-CD2 3.63Å; W84-F111 AromaticContact CD1-CE1 3.95Å; W84-F111 AromaticContact CD1-CE2 3.99Å; W84-F111 AromaticContact CD1-CG 3.41Å; W84-F111 VanDerWaalsContact CD1-CG 3.41Å; W84-F111 HydrophobicContact CD2-CB 3.94Å; W84-F111 AromaticContact CD2-CD2 3.55Å; W84-F111 HydrophobicContact CD2-CD2 3.55Å; W84-F111 HydrophobicContact CD2-CE2 4.23Å; W84-F111 AromaticContact CD2-CG 3.84Å; W84-F111 HydrophobicContact CD2-CG 3.84Å; W84-F111 AromaticContact CE2-CD2 3.91Å; W84-F111 AromaticContact CE2-CG 3.69Å; W84-F111 HydrophobicContact CE3-CD2 4.09Å; W84-F111 HydrophobicContact CG-CB 4.27Å; W84-F111 HydrophobicContact CG-CD1 4.19Å; W84-F111 AromaticContact CG-CD2 3.4Å; W84-F111 HydrophobicContact CG-CD2 3.4Å; W84-F111 VanDerWaalsContact CG-CD2 3.4Å; W84-F111 HydrophobicContact CG-CE1 4.41Å; W84-F111 AromaticContact CG-CE2 3.66Å; W84-F111 HydrophobicContact CG-CE2 3.66Å; W84-F111 AromaticContact CG-CG 3.7Å; W84-F111 HydrophobicContact CG-CG 3.7Å; W84-F111 HydrophobicContact CG-CZ 4.16Å; W84-F111 HydrophobicContact CH2-CB 4.36Å; W84-F111 HydrophobicContact CZ2-CB 3.61Å; W84-F111 HydrophobicContact CZ2-CG 4.42Å; W84-F111 VanDerWaalsContact NE1-CB 3.27Å; W84-F111 AromaticContact NE1-CD1 3.75Å; W84-F111 AromaticContact NE1-CD2 3.88Å; W84-F111 AromaticContact NE1-CG 3.36Å; D107-F111 CarbonylContact O-C 3.57Å; D107-F111 WeakPolarHBondContact O-CA 3.22Å; D107-F111 WeakPolarHBondContact O-CB 3.37Å; D107-F111 PolarHBondContact O-N 2.91Å; D107-F111 VanDerWaalsContact OD1-CD1 3.25Å; D107-F111 WeakPolarHBondContact OD1-CD1 3.07Å; F111-C114 PolarHBondContact O-N 2.8Å; F111-F115 HydrophobicContact CD1-CB 4.32Å; F111-F115 HydrophobicContact CE1-CB 4.07Å; F111-F115 HydrophobicContact CE1-CD2 4.26Å; F111-F115 HydrophobicContact CE1-CG 4.16Å; F111-F115 HydrophobicContact CE2-CB 4.45Å; F111-F115 HydrophobicContact CZ-CB 4.14Å; F111-F115 AromaticContact CZ-CD2 3.9Å; F111-F115 HydrophobicContact CZ-CD2 3.9Å; F111-F115 HydrophobicContact CZ-CG 4.2Å; F111-F115 WeakPolarHBondContact O-CB 3.31Å; F111-F115 PolarHBondContact O-N 3.07Å |
| 112 | A | 86.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.1 | -49.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D107 F115 L116 N149 Y150 | D107-A112 PolarHBondContact O-N 2.93Å; A112-F115 PolarHBondContact O-N 3.38Å; A112-L116 WeakPolarHBondContact O-CB 3.12Å; A112-L116 WeakPolarHBondContact O-CG 3.4Å; A112-L116 PolarHBondContact O-N 3.43Å; A112-N149 WeakPolarHBondContact CB-ND2 3.29Å; A112-Y150 HydrophobicContact CB-CE1 4.46Å |
| 113 | P | 89.6 | Confident | 87.1 | Confident | 21 Ų | 21 | 36.3 Ų | 36.3 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 177.7 | 22.1 | -32.1 | 0 | 0 | 0 | 112.3 | Q108 G110 F115 G117 Y142 L146 | Q108-P113 VanDerWaalsContact O-CD 3.28Å; Q108-P113 WeakPolarHBondContact O-CD 3.46Å; G110-P113 WeakPolarHBondContact O-CG 3.46Å; P113-F115 PolarHBondContact O-N 3.25Å; P113-G117 PolarHBondContact O-N 2.85Å; P113-Y142 WeakPolarHBondContact CA-OH 3.34Å; P113-Y142 WeakPolarHBondContact CB-OH 3.13Å; P113-Y142 WeakPolarHBondContact O-CE2 3.12Å; P113-Y142 PolarHBondContact O-OH 2.9Å; P113-L146 HydrophobicContact CB-CD1 4Å; P113-L146 HydrophobicContact CB-CD2 4.34Å |
| 114 | C | 90.6 | Very high | 87.3 | Confident | 85 Ų | 85 | 35.3 Ų | 35.3 | 57% | 0.574 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.1 | -44.6 | 177.6 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | G110 F111 G117 C118 | G110-C114 PolarHBondContact O-SG 3.2Å; F111-C114 PolarHBondContact O-N 2.8Å; C114-G117 PolarHBondContact O-N 2.75Å; C114-C118 PolarHBondContact O-N 2.81Å; C114-C118 PolarHBondContact O-SG 2.72Å; C114-C118 VanDerWaalsContact O-SG 3.35Å |
| 115 | F | 88.8 | Confident | 87.5 | Confident | 25 Ų | 25 | 37 Ų | 37 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -50.4 | -179.9 | 175.7 | -98.1 | 0 | 0 | 0 | 111.3 | F76 V77 V80 V81 F111 A112 P113 G117 C118 F119 | F76-F115 HydrophobicContact CE1-CE2 4.19Å; V77-F115 HydrophobicContact CB-CE2 4.33Å; V77-F115 HydrophobicContact CB-CZ 4.33Å; V77-F115 HydrophobicContact CG1-CE2 3.92Å; V77-F115 HydrophobicContact CG1-CZ 3.73Å; V77-F115 HydrophobicContact CG2-CE2 4.02Å; V77-F115 HydrophobicContact CG2-CZ 3.81Å; V80-F115 HydrophobicContact CG1-CD2 4.34Å; V81-F115 HydrophobicContact CG2-CE2 4.37Å; F111-F115 HydrophobicContact CD1-CB 4.32Å; F111-F115 HydrophobicContact CE1-CB 4.07Å; F111-F115 HydrophobicContact CE1-CD2 4.26Å; F111-F115 HydrophobicContact CE1-CG 4.16Å; F111-F115 HydrophobicContact CE2-CB 4.45Å; F111-F115 HydrophobicContact CZ-CB 4.14Å; F111-F115 AromaticContact CZ-CD2 3.9Å; F111-F115 HydrophobicContact CZ-CD2 3.9Å; F111-F115 HydrophobicContact CZ-CG 4.2Å; F111-F115 WeakPolarHBondContact O-CB 3.31Å; F111-F115 PolarHBondContact O-N 3.07Å; A112-F115 PolarHBondContact O-N 3.38Å; P113-F115 PolarHBondContact O-N 3.25Å; F115-G117 VanDerWaalsContact C-N 3.31Å; F115-G117 PolarHBondContact O-N 3.08Å; F115-C118 PolarHBondContact O-N 3.13Å; F115-F119 HydrophobicContact CE1-CB 4.32Å; F115-F119 HydrophobicContact CE1-CG 4.43Å; F115-F119 HydrophobicContact CZ-CB 4.39Å; F115-F119 HydrophobicContact CZ-CD2 4.21Å; F115-F119 HydrophobicContact CZ-CG 4.4Å; F115-F119 WeakPolarHBondContact O-CB 3.46Å; F115-F119 PolarHBondContact O-N 3.19Å |
| 116 | L | 88.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | 177.9 | -71.7 | 174 | 0 | 0 | 0 | 112 | A112 C118 F119 L120 Y142 L146 N149 W180 L184 | A112-L116 WeakPolarHBondContact O-CB 3.12Å; A112-L116 WeakPolarHBondContact O-CG 3.4Å; A112-L116 PolarHBondContact O-N 3.43Å; L116-C118 VanDerWaalsContact C-N 3.28Å; L116-C118 PolarHBondContact O-N 3.37Å; L116-F119 PolarHBondContact O-N 3.26Å; L116-L120 PolarHBondContact O-N 3.18Å; L116-L120 VanDerWaalsContact O-N 3.1Å; L116-Y142 HydrophobicContact CB-CD2 4.29Å; L116-Y142 HydrophobicContact CB-CE2 4.02Å; L116-L146 HydrophobicContact CD1-CB 4.49Å; L116-L146 HydrophobicContact CD1-CD1 4.07Å; L116-N149 HydrophobicContact CD1-CB 4.04Å; L116-W180 HydrophobicContact CD2-CZ2 4.22Å; L116-L184 HydrophobicContact CD2-CD2 3.75Å |
| 117 | G | 88.5 | Confident | 87.2 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -30.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | P113 C114 F115 P121 | P113-G117 PolarHBondContact O-N 2.85Å; C114-G117 PolarHBondContact O-N 2.75Å; F115-G117 VanDerWaalsContact C-N 3.31Å; F115-G117 PolarHBondContact O-N 3.08Å; G117-P121 WeakPolarHBondContact O-CD 3.14Å; G117-P121 WeakPolarHBondContact O-CG 3.31Å |
| 118 | C | 89.6 | Confident | 87.2 | Confident | 72 Ų | 72 | 36 Ų | 36 | 49% | 0.486 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -87.5 | -37 | 172.9 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | F76 C114 F115 L116 P121 L122 | F76-C118 HydrophobicContact CZ-CB 3.96Å; C114-C118 PolarHBondContact O-N 2.81Å; C114-C118 PolarHBondContact O-SG 2.72Å; C114-C118 VanDerWaalsContact O-SG 3.35Å; F115-C118 PolarHBondContact O-N 3.13Å; L116-C118 VanDerWaalsContact C-N 3.28Å; L116-C118 PolarHBondContact O-N 3.37Å; C118-P121 WeakPolarHBondContact O-CD 3.08Å; C118-L122 WeakPolarHBondContact O-CB 3.28Å; C118-L122 PolarHBondContact O-N 3.22Å |
| 119 | F | 88.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68 | -48.4 | -174.1 | 179.6 | -98.9 | 0 | 0 | 0 | 112.4 | M42 M69 L72 V77 F115 L116 L122 V123 L184 | M42-F119 HydrophobicContact CE-CE2 3.38Å; M42-F119 HydrophobicContact CE-CZ 3.37Å; M69-F119 HydrophobicContact CE-CE1 4.36Å; M69-F119 HydrophobicContact CE-CZ 3.95Å; M69-F119 HydrophobicContact SD-CZ 3.93Å; L72-F119 HydrophobicContact CD1-CE2 4.32Å; V77-F119 HydrophobicContact CG2-CD2 4.05Å; V77-F119 HydrophobicContact CG2-CE2 4Å; F115-F119 HydrophobicContact CE1-CB 4.32Å; F115-F119 HydrophobicContact CE1-CG 4.43Å; F115-F119 HydrophobicContact CZ-CB 4.39Å; F115-F119 HydrophobicContact CZ-CD2 4.21Å; F115-F119 HydrophobicContact CZ-CG 4.4Å; F115-F119 WeakPolarHBondContact O-CB 3.46Å; F115-F119 PolarHBondContact O-N 3.19Å; L116-F119 PolarHBondContact O-N 3.26Å; F119-L122 PolarHBondContact O-N 3.35Å; F119-V123 HydrophobicContact CD1-CG2 4.23Å; F119-V123 HydrophobicContact CD2-CG2 4.4Å; F119-V123 HydrophobicContact CE1-CG2 3.77Å; F119-V123 HydrophobicContact CE2-CG2 3.95Å; F119-V123 HydrophobicContact CZ-CG2 3.61Å; F119-V123 WeakPolarHBondContact O-CG2 3.41Å; F119-V123 PolarHBondContact O-N 2.92Å; F119-L184 HydrophobicContact CD1-CD1 4.48Å; F119-L184 HydrophobicContact CE1-CB 4.18Å; F119-L184 HydrophobicContact CE1-CD1 4.17Å |
| 120 | L | 88.7 | Confident | 87.6 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | -177 | -68.5 | 171.4 | 0 | 0 | 0 | 112.7 | L116 L122 V123 G124 L138 Y142 A145 A188 | L116-L120 PolarHBondContact O-N 3.18Å; L116-L120 VanDerWaalsContact O-N 3.1Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L120-L122 PolarHBondContact O-N 2.86Å; L120-V123 PolarHBondContact O-N 3.24Å; L120-G124 PolarHBondContact O-N 2.98Å; L120-L138 HydrophobicContact CB-CD1 3.89Å; L120-L138 HydrophobicContact CD1-CD1 4.25Å; L120-Y142 HydrophobicContact CD1-CD2 4.48Å; L120-A145 HydrophobicContact CD1-CB 4.22Å; L120-A188 HydrophobicContact CD2-CB 4.29Å |
| 121 | P | 89.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.4 | -34.1 | 176.5 | -23.1 | 37.6 | 0 | 0 | 0 | 112.8 | G117 C118 G124 A125 N134 L138 | G117-P121 WeakPolarHBondContact O-CD 3.14Å; G117-P121 WeakPolarHBondContact O-CG 3.31Å; C118-P121 WeakPolarHBondContact O-CD 3.08Å; P121-G124 PolarHBondContact O-N 3.36Å; P121-A125 WeakPolarHBondContact O-CB 3.38Å; P121-A125 PolarHBondContact O-N 2.85Å; P121-N134 WeakPolarHBondContact CA-ND2 3.39Å; P121-N134 WeakPolarHBondContact CA-OD1 3.21Å; P121-N134 PolarHBondContact O-ND2 3.27Å; P121-L138 HydrophobicContact CG-CB 4.36Å; P121-L138 HydrophobicContact CG-CD1 3.63Å; P121-L138 HydrophobicContact CG-CD2 3.69Å; P121-L138 HydrophobicContact CG-CG 4.08Å |
| 122 | L | 88.9 | Confident | 87.9 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 178.9 | -176.6 | 64.6 | 0 | 0 | 0 | 111.2 | L72 F76 C118 F119 L120 A125 L126 | L72-L122 HydrophobicContact CD2-CD2 3.43Å; L72-L122 VanDerWaalsContact CD2-CD2 3.43Å; L72-L122 HydrophobicContact CD2-CG 3.74Å; F76-L122 HydrophobicContact CB-CD2 4.18Å; F76-L122 HydrophobicContact CD1-CD2 3.85Å; F76-L122 HydrophobicContact CD2-CD2 4.01Å; F76-L122 HydrophobicContact CE1-CD2 4.22Å; F76-L122 HydrophobicContact CE2-CD2 4.37Å; F76-L122 HydrophobicContact CG-CD2 3.74Å; F76-L122 HydrophobicContact CZ-CD2 4.47Å; C118-L122 WeakPolarHBondContact O-CB 3.28Å; C118-L122 PolarHBondContact O-N 3.22Å; F119-L122 PolarHBondContact O-N 3.35Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L120-L122 PolarHBondContact O-N 2.86Å; L122-A125 PolarHBondContact O-N 3.35Å; L122-L126 WeakPolarHBondContact O-CG 3.43Å; L122-L126 PolarHBondContact O-N 2.86Å |
| 123 | V | 87.4 | Confident | 88 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | M69 L72 F119 L120 A125 L126 N127 A188 | M69-V123 HydrophobicContact SD-CG2 4.32Å; L72-V123 HydrophobicContact CD1-CB 4.26Å; L72-V123 HydrophobicContact CD1-CG2 3.37Å; F119-V123 HydrophobicContact CD1-CG2 4.23Å; F119-V123 HydrophobicContact CD2-CG2 4.4Å; F119-V123 HydrophobicContact CE1-CG2 3.77Å; F119-V123 HydrophobicContact CE2-CG2 3.95Å; F119-V123 HydrophobicContact CZ-CG2 3.61Å; F119-V123 WeakPolarHBondContact O-CG2 3.41Å; F119-V123 PolarHBondContact O-N 2.92Å; L120-V123 PolarHBondContact O-N 3.24Å; V123-A125 VanDerWaalsContact C-N 3.34Å; V123-A125 PolarHBondContact O-N 2.84Å; V123-L126 PolarHBondContact O-N 3.31Å; V123-N127 WeakPolarHBondContact CG1-ND2 3.41Å; V123-N127 WeakPolarHBondContact O-CB 3.42Å; V123-N127 VanDerWaalsContact O-CG 3.3Å; V123-N127 PolarHBondContact O-N 3.21Å; V123-N127 PolarHBondContact O-ND2 3.19Å; V123-A188 HydrophobicContact CB-CB 4.13Å; V123-A188 HydrophobicContact CG1-CB 3.63Å; V123-A188 HydrophobicContact CG2-CB 4.42Å |
| 124 | G | 85.6 | Confident | 88 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L120 P121 N127 G128 L129 | L120-G124 PolarHBondContact O-N 2.98Å; P121-G124 PolarHBondContact O-N 3.36Å; G124-N127 PolarHBondContact O-N 3.21Å; G124-G128 PolarHBondContact O-N 3.34Å; G124-L129 WeakPolarHBondContact O-CB 3.26Å; G124-L129 PolarHBondContact O-N 3.36Å |
| 125 | A | 87.7 | Confident | 88 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | P121 L122 V123 N127 G128 | P121-A125 WeakPolarHBondContact O-CB 3.38Å; P121-A125 PolarHBondContact O-N 2.85Å; L122-A125 PolarHBondContact O-N 3.35Å; V123-A125 VanDerWaalsContact C-N 3.34Å; V123-A125 PolarHBondContact O-N 2.84Å; A125-N127 PolarHBondContact O-N 3.42Å; A125-G128 PolarHBondContact O-N 2.76Å |
| 126 | L | 85.5 | Confident | 88.1 | Confident | 97 Ų | 97 | 55 Ų | 55 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.9 | -24.4 | 176.5 | -71.2 | 173.6 | 0 | 0 | 0 | 113.2 | T68 L72 L122 V123 | T68-L126 HydrophobicContact CG2-CB 3.82Å; T68-L126 HydrophobicContact CG2-CD1 3.95Å; L72-L126 HydrophobicContact CD1-CD1 3.88Å; L72-L126 HydrophobicContact CD2-CD1 3.45Å; L72-L126 VanDerWaalsContact CD2-CD1 3.45Å; L72-L126 HydrophobicContact CG-CD1 3.65Å; L122-L126 WeakPolarHBondContact O-CG 3.43Å; L122-L126 PolarHBondContact O-N 2.86Å; V123-L126 PolarHBondContact O-N 3.31Å |
| 127 | N | 82.2 | Confident | 88.1 | Confident | 64 Ų | 64 | 56 Ų | 56 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.5 | 172.2 | -70.2 | -30.8 | 0 | 0 | 0 | 113.5 | V123 G124 A125 H189 | V123-N127 WeakPolarHBondContact CG1-ND2 3.41Å; V123-N127 WeakPolarHBondContact O-CB 3.42Å; V123-N127 VanDerWaalsContact O-CG 3.3Å; V123-N127 PolarHBondContact O-N 3.21Å; V123-N127 PolarHBondContact O-ND2 3.19Å; G124-N127 PolarHBondContact O-N 3.21Å; A125-N127 PolarHBondContact O-N 3.42Å; N127-H189 PolarHBondContact ND2-CD2 2.95Å; N127-H189 PolarHBondContact ND2-NE2 3.46Å; N127-H189 PolarHBondContact OD1-NE2 2.95Å |
| 128 | G | 84.2 | Confident | 88.2 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 69% | 0.691 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 17.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | G124 A125 | G124-G128 PolarHBondContact O-N 3.34Å; A125-G128 PolarHBondContact O-N 2.76Å |
| 129 | L | 86.2 | Confident | 88.2 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | trans | -66.8 | 141.7 | 172.7 | -72.1 | 166 | 0 | 0 | 0 | 110.6 | G124 D133 N134 K137 | G124-L129 WeakPolarHBondContact O-CB 3.26Å; G124-L129 PolarHBondContact O-N 3.36Å; L129-D133 HydrophobicContact CD2-CB 4.19Å; L129-N134 HydrophobicContact CB-CB 4.17Å; L129-K137 HydrophobicContact CD1-CD 3.84Å | ||
| 130 | S | 89.9 | Confident | 88.2 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | trans | -63.2 | 154.5 | 171.5 | 83.2 | 0 | 0 | 0 | 0 | 110.3 | K132 D133 N134 | S130-K132 PolarHBondContact O-N 3.43Å; S130-K132 VanDerWaalsContact O-N 3.16Å; S130-D133 WeakPolarHBondContact CB-OD2 3.32Å; S130-D133 PolarHBondContact O-N 2.94Å; S130-D133 VanDerWaalsContact O-N 3.16Å; S130-D133 PolarHBondContact OG-N 3.38Å; S130-D133 VanDerWaalsContact OG-N 3.14Å; S130-D133 PolarHBondContact OG-OD2 2.95Å; S130-N134 VanDerWaalsContact O-CB 3.22Å; S130-N134 WeakPolarHBondContact O-CB 3.37Å; S130-N134 PolarHBondContact O-N 2.8Å | ||
| 131 | A | 87.6 | Confident | 88.2 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.8 | -34.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W135 | A131-W135 WeakPolarHBondContact O-CB 3.28Å; A131-W135 PolarHBondContact O-N 3.45Å |
| 132 | K | 90.8 | Very high | 88.3 | Confident | 172 Ų | 172 | 65.8 Ų | 65.8 | 75% | 0.748 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.8 | -46.1 | 177.9 | -171.9 | 179.7 | 177.5 | -176.1 | 0 | 111.7 | S130 N134 W135 A136 | S130-K132 PolarHBondContact O-N 3.43Å; S130-K132 VanDerWaalsContact O-N 3.16Å; K132-N134 VanDerWaalsContact C-N 3.34Å; K132-W135 PolarHBondContact O-N 2.92Å; K132-A136 PolarHBondContact O-N 3.38Å |
| 133 | D | 89.1 | Confident | 88.4 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.9 | -37.9 | 179.6 | -58.3 | -38.3 | 0 | 0 | 0 | 111.2 | L129 S130 A136 K137 | L129-D133 HydrophobicContact CD2-CB 4.19Å; S130-D133 WeakPolarHBondContact CB-OD2 3.32Å; S130-D133 PolarHBondContact O-N 2.94Å; S130-D133 VanDerWaalsContact O-N 3.16Å; S130-D133 PolarHBondContact OG-N 3.38Å; S130-D133 VanDerWaalsContact OG-N 3.14Å; S130-D133 PolarHBondContact OG-OD2 2.95Å; D133-A136 PolarHBondContact O-N 3.38Å; D133-K137 VanDerWaalsContact O-CB 3.27Å; D133-K137 WeakPolarHBondContact O-CB 3.47Å; D133-K137 PolarHBondContact O-N 2.9Å |
| 134 | N | 90.8 | Very high | 88.5 | Confident | 18 Ų | 18 | 70 Ų | 70 | 10% | 0.096 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 176.4 | -163.2 | 20.4 | 0 | 0 | 0 | 111.6 | P121 L129 S130 K132 K137 L138 | P121-N134 WeakPolarHBondContact CA-ND2 3.39Å; P121-N134 WeakPolarHBondContact CA-OD1 3.21Å; P121-N134 PolarHBondContact O-ND2 3.27Å; L129-N134 HydrophobicContact CB-CB 4.17Å; S130-N134 VanDerWaalsContact O-CB 3.22Å; S130-N134 WeakPolarHBondContact O-CB 3.37Å; S130-N134 PolarHBondContact O-N 2.8Å; K132-N134 VanDerWaalsContact C-N 3.34Å; N134-K137 PolarHBondContact O-N 2.81Å; N134-L138 WeakPolarHBondContact O-CB 3.29Å; N134-L138 PolarHBondContact O-N 3.44Å |
| 135 | W | 90.2 | Very high | 88.7 | Confident | 156 Ų | 156 | 69.9 Ų | 69.9 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 174.1 | -175.2 | -105.9 | 0 | 0 | 0 | 112.3 | A131 K132 K137 L138 Q139 | A131-W135 WeakPolarHBondContact O-CB 3.28Å; A131-W135 PolarHBondContact O-N 3.45Å; K132-W135 PolarHBondContact O-N 2.92Å; W135-K137 PolarHBondContact O-N 2.51Å; W135-L138 HydrophobicContact CE3-CD2 3.95Å; W135-L138 HydrophobicContact CZ3-CD2 3.78Å; W135-L138 WeakPolarHBondContact O-CB 3.4Å; W135-L138 PolarHBondContact O-N 3.44Å; W135-Q139 PolarHBondContact O-N 2.98Å |
| 136 | A | 90.6 | Very high | 88.8 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K132 D133 L138 Q139 R140 | K132-A136 PolarHBondContact O-N 3.38Å; D133-A136 PolarHBondContact O-N 3.38Å; A136-L138 VanDerWaalsContact C-N 3.35Å; A136-Q139 PolarHBondContact O-N 3.41Å; A136-R140 PolarHBondContact O-N 3.37Å; A136-R140 VanDerWaalsContact O-N 3.12Å |
| 137 | K | 88.3 | Confident | 89.1 | Confident | 21 Ų | 21 | 68 Ų | 68 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 175 | -177.1 | 172.5 | 169.1 | 57.6 | 0 | 111.8 | L129 D133 N134 W135 R140 D141 K187 A188 R190 | L129-K137 HydrophobicContact CD1-CD 3.84Å; D133-K137 VanDerWaalsContact O-CB 3.27Å; D133-K137 WeakPolarHBondContact O-CB 3.47Å; D133-K137 PolarHBondContact O-N 2.9Å; N134-K137 PolarHBondContact O-N 2.81Å; W135-K137 PolarHBondContact O-N 2.51Å; K137-R140 PolarHBondContact O-N 2.73Å; K137-D141 VanDerWaalsContact CG-OD2 3.29Å; K137-D141 WeakPolarHBondContact CG-OD2 3.32Å; K137-D141 IonicContact NZ-OD2 3.12Å; K137-D141 PolarHBondContact NZ-OD2 2.74Å; K137-D141 WeakPolarHBondContact O-CB 3.49Å; K137-D141 PolarHBondContact O-N 3.36Å; K137-K187 PolarHBondContact NZ-O 3.2Å; K137-A188 WeakPolarHBondContact CE-O 3.37Å; K137-A188 PolarHBondContact NZ-O 3.31Å; K137-R190 PolarHBondContact NZ-O 3.2Å |
| 138 | L | 90.6 | Very high | 89.5 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.4 | -52 | 174.8 | -178.8 | 67.7 | 0 | 0 | 0 | 110.9 | L120 P121 N134 W135 A136 R140 D141 Y142 | L120-L138 HydrophobicContact CB-CD1 3.89Å; L120-L138 HydrophobicContact CD1-CD1 4.25Å; P121-L138 HydrophobicContact CG-CB 4.36Å; P121-L138 HydrophobicContact CG-CD1 3.63Å; P121-L138 HydrophobicContact CG-CD2 3.69Å; P121-L138 HydrophobicContact CG-CG 4.08Å; N134-L138 WeakPolarHBondContact O-CB 3.29Å; N134-L138 PolarHBondContact O-N 3.44Å; W135-L138 HydrophobicContact CE3-CD2 3.95Å; W135-L138 HydrophobicContact CZ3-CD2 3.78Å; W135-L138 WeakPolarHBondContact O-CB 3.4Å; W135-L138 PolarHBondContact O-N 3.44Å; A136-L138 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.88Å; L138-D141 PolarHBondContact O-N 3.26Å; L138-Y142 HydrophobicContact CD1-CD2 4.21Å; L138-Y142 HydrophobicContact CD1-CG 4.32Å; L138-Y142 WeakPolarHBondContact O-CA 3.13Å; L138-Y142 WeakPolarHBondContact O-CB 3.18Å; L138-Y142 PolarHBondContact O-N 3.42Å |
| 139 | Q | 90.4 | Very high | 89.7 | Confident | 125 Ų | 125 | 64.5 Ų | 64.5 | 58% | 0.584 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.7 | -33.4 | -178.8 | -70.8 | -160.7 | -36.4 | 0 | 0 | 112.7 | W135 A136 P143 | W135-Q139 PolarHBondContact O-N 2.98Å; A136-Q139 PolarHBondContact O-N 3.41Å; Q139-P143 VanDerWaalsContact O-CD 3.27Å; Q139-P143 WeakPolarHBondContact O-CD 3.2Å |
| 140 | R | 89.3 | Confident | 89.9 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 46% | 0.464 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.8 | -50.7 | 176.5 | -171.1 | -174.8 | 68.7 | -172.6 | -1.8 | 112.6 | A136 K137 L138 L191 | A136-R140 PolarHBondContact O-N 3.37Å; A136-R140 VanDerWaalsContact O-N 3.12Å; K137-R140 PolarHBondContact O-N 2.73Å; L138-R140 PolarHBondContact O-N 2.88Å; R140-L191 VanDerWaalsContact CZ-OXT 3.22Å; R140-L191 PolarHBondContact NH1-OXT 3.02Å; R140-L191 PolarHBondContact NH2-OXT 3.26Å |
| 141 | D | 88.7 | Confident | 89.8 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -92.9 | -24.2 | -165.8 | -61.9 | -11.5 | 0 | 0 | 0 | 113 | K137 L138 D144 A145 K187 | K137-D141 VanDerWaalsContact CG-OD2 3.29Å; K137-D141 WeakPolarHBondContact CG-OD2 3.32Å; K137-D141 IonicContact NZ-OD2 3.12Å; K137-D141 PolarHBondContact NZ-OD2 2.74Å; K137-D141 WeakPolarHBondContact O-CB 3.49Å; K137-D141 PolarHBondContact O-N 3.36Å; L138-D141 PolarHBondContact O-N 3.26Å; D141-D144 WeakPolarHBondContact O-CB 3.41Å; D141-A145 VanDerWaalsContact O-CB 3.29Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 2.85Å; D141-K187 HydrophobicContact CB-CG 4.22Å |
| 142 | Y | 90.6 | Very high | 89.8 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -55.9 | -179.6 | 177 | -101.4 | 0 | 0 | 0 | 114.8 | P113 L116 L120 L138 D144 A145 L146 | P113-Y142 WeakPolarHBondContact CA-OH 3.34Å; P113-Y142 WeakPolarHBondContact CB-OH 3.13Å; P113-Y142 WeakPolarHBondContact O-CE2 3.12Å; P113-Y142 PolarHBondContact O-OH 2.9Å; L116-Y142 HydrophobicContact CB-CD2 4.29Å; L116-Y142 HydrophobicContact CB-CE2 4.02Å; L120-Y142 HydrophobicContact CD1-CD2 4.48Å; L138-Y142 HydrophobicContact CD1-CD2 4.21Å; L138-Y142 HydrophobicContact CD1-CG 4.32Å; L138-Y142 WeakPolarHBondContact O-CA 3.13Å; L138-Y142 WeakPolarHBondContact O-CB 3.18Å; L138-Y142 PolarHBondContact O-N 3.42Å; Y142-D144 PolarHBondContact O-N 3.35Å; Y142-A145 PolarHBondContact O-N 3.48Å; Y142-L146 HydrophobicContact CE1-CD2 4.11Å; Y142-L146 WeakPolarHBondContact O-CB 3.27Å; Y142-L146 PolarHBondContact O-N 3.26Å |
| 143 | P | 91.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.4 | -38.8 | -177 | 23.1 | -32.8 | 0 | 0 | 0 | 110.5 | Q139 L146 I147 | Q139-P143 VanDerWaalsContact O-CD 3.27Å; Q139-P143 WeakPolarHBondContact O-CD 3.2Å; P143-L146 PolarHBondContact O-N 3.38Å; P143-I147 WeakPolarHBondContact O-CB 3.25Å; P143-I147 WeakPolarHBondContact O-CD1 3.49Å; P143-I147 WeakPolarHBondContact O-CG1 3.41Å; P143-I147 PolarHBondContact O-N 2.8Å |
| 144 | D | 89.6 | Confident | 89.3 | Confident | 88 Ų | 88 | 62 Ų | 62 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | -178.7 | -133.2 | 45.6 | 0 | 0 | 0 | 111.5 | D141 Y142 T148 K187 | D141-D144 WeakPolarHBondContact O-CB 3.41Å; Y142-D144 PolarHBondContact O-N 3.35Å; D144-T148 PolarHBondContact O-N 3.01Å; D144-T148 PolarHBondContact O-OG1 3.46Å; D144-K187 VanDerWaalsContact CG-NZ 3.35Å; D144-K187 IonicContact OD2-NZ 3.26Å; D144-K187 PolarHBondContact OD2-NZ 3.44Å |
| 145 | A | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | L120 D141 Y142 T148 N149 K187 | L120-A145 HydrophobicContact CD1-CB 4.22Å; D141-A145 VanDerWaalsContact O-CB 3.29Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 2.85Å; Y142-A145 PolarHBondContact O-N 3.48Å; A145-T148 PolarHBondContact O-N 3.46Å; A145-N149 WeakPolarHBondContact O-CB 3.49Å; A145-N149 PolarHBondContact O-N 3.42Å; A145-K187 HydrophobicContact CB-CD 4.3Å |
| 146 | L | 91.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.3 | -44.5 | -178.8 | -173.3 | 65.1 | 0 | 0 | 0 | 111.9 | P113 L116 Y142 P143 T148 N149 Y150 | P113-L146 HydrophobicContact CB-CD1 4Å; P113-L146 HydrophobicContact CB-CD2 4.34Å; L116-L146 HydrophobicContact CD1-CB 4.49Å; L116-L146 HydrophobicContact CD1-CD1 4.07Å; Y142-L146 HydrophobicContact CE1-CD2 4.11Å; Y142-L146 WeakPolarHBondContact O-CB 3.27Å; Y142-L146 PolarHBondContact O-N 3.26Å; P143-L146 PolarHBondContact O-N 3.38Å; L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 PolarHBondContact O-N 3.36Å; L146-N149 WeakPolarHBondContact O-CB 3.43Å; L146-N149 PolarHBondContact O-N 2.81Å; L146-Y150 HydrophobicContact CD1-CE1 4.01Å; L146-Y150 HydrophobicContact CD1-CE2 4Å; L146-Y150 HydrophobicContact CD2-CE2 4.04Å; L146-Y150 HydrophobicContact CG-CD2 4.23Å; L146-Y150 HydrophobicContact CG-CE2 3.67Å; L146-Y150 PolarHBondContact O-N 2.96Å |
| 147 | I | 90.9 | Very high | 88.5 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 46% | 0.456 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 174.8 | -71.1 | 166.1 | 0 | 0 | 0 | 109.9 | P143 N149 Y150 Y151 | P143-I147 WeakPolarHBondContact O-CB 3.25Å; P143-I147 WeakPolarHBondContact O-CD1 3.49Å; P143-I147 WeakPolarHBondContact O-CG1 3.41Å; P143-I147 PolarHBondContact O-N 2.8Å; I147-N149 VanDerWaalsContact C-N 3.27Å; I147-N149 PolarHBondContact O-N 3.35Å; I147-Y150 PolarHBondContact O-N 3.42Å; I147-Y150 VanDerWaalsContact O-N 3.15Å; I147-Y151 HydrophobicContact CG2-CD2 3.64Å; I147-Y151 HydrophobicContact CG2-CE2 3.45Å; I147-Y151 VanDerWaalsContact CG2-CE2 3.45Å; I147-Y151 WeakPolarHBondContact O-CD2 3.13Å; I147-Y151 PolarHBondContact O-N 3.41Å |
| 148 | T | 89.9 | Confident | 88.3 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 177.5 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | D144 A145 L146 Y150 Y151 L152 W180 Y183 | D144-T148 PolarHBondContact O-N 3.01Å; D144-T148 PolarHBondContact O-OG1 3.46Å; A145-T148 PolarHBondContact O-N 3.46Å; L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 PolarHBondContact O-N 3.36Å; T148-Y150 PolarHBondContact O-N 3.49Å; T148-Y151 PolarHBondContact O-N 2.98Å; T148-L152 WeakPolarHBondContact O-CB 3.42Å; T148-L152 PolarHBondContact O-N 3.15Å; T148-W180 HydrophobicContact CG2-CZ3 3.9Å; T148-Y183 HydrophobicContact CG2-CD1 4.44Å; T148-Y183 HydrophobicContact CG2-CE1 3.82Å; T148-Y183 PolarHBondContact OG1-OH 3.25Å |
| 149 | N | 89.9 | Confident | 88 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.7 | -174.4 | 88 | 0 | 0 | 0 | 111.5 | Q108 A112 L116 A145 L146 I147 Y151 L152 W153 P154 W180 | Q108-N149 PolarHBondContact OE1-ND2 3.44Å; A112-N149 WeakPolarHBondContact CB-ND2 3.29Å; L116-N149 HydrophobicContact CD1-CB 4.04Å; A145-N149 WeakPolarHBondContact O-CB 3.49Å; A145-N149 PolarHBondContact O-N 3.42Å; L146-N149 WeakPolarHBondContact O-CB 3.43Å; L146-N149 PolarHBondContact O-N 2.81Å; I147-N149 VanDerWaalsContact C-N 3.27Å; I147-N149 PolarHBondContact O-N 3.35Å; N149-Y151 VanDerWaalsContact C-N 3.34Å; N149-Y151 PolarHBondContact O-N 2.88Å; N149-L152 PolarHBondContact O-N 3.26Å; N149-W153 PolarHBondContact O-N 2.85Å; N149-W153 PolarHBondContact OD1-NE1 2.99Å; N149-P154 WeakPolarHBondContact O-CD 3.43Å; N149-W180 HydrophobicContact CB-CH2 3.61Å; N149-W180 HydrophobicContact CB-CZ2 3.9Å; N149-W180 HydrophobicContact CB-CZ3 4.48Å; N149-W180 WeakPolarHBondContact OD1-CZ2 2.91Å |
| 150 | Y | 89.3 | Confident | 87.4 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 35% | 0.349 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.1 | -24.2 | 178.6 | -67.1 | -23.6 | 0 | 0 | 0 | 114.6 | Q108 A112 L146 I147 T148 P154 | Q108-Y150 HydrophobicContact CB-CD1 4.28Å; Q108-Y150 HydrophobicContact CB-CE1 4.08Å; Q108-Y150 WeakPolarHBondContact O-CE1 3.24Å; Q108-Y150 PolarHBondContact O-OH 2.97Å; Q108-Y150 VanDerWaalsContact O-OH 3.08Å; A112-Y150 HydrophobicContact CB-CE1 4.46Å; L146-Y150 HydrophobicContact CD1-CE1 4.01Å; L146-Y150 HydrophobicContact CD1-CE2 4Å; L146-Y150 HydrophobicContact CD2-CE2 4.04Å; L146-Y150 HydrophobicContact CG-CD2 4.23Å; L146-Y150 HydrophobicContact CG-CE2 3.67Å; L146-Y150 PolarHBondContact O-N 2.96Å; I147-Y150 PolarHBondContact O-N 3.42Å; I147-Y150 VanDerWaalsContact O-N 3.15Å; T148-Y150 PolarHBondContact O-N 3.49Å; Y150-P154 WeakPolarHBondContact O-CD 3.26Å; Y150-P154 WeakPolarHBondContact O-CG 3.24Å |
| 151 | Y | 88.5 | Confident | 86.9 | Confident | 180 Ų | 180 | 52.6 Ų | 52.6 | 71% | 0.706 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -80.3 | -43.1 | 170.6 | -79 | -68.1 | 0 | 0 | 0 | 112 | I147 T148 N149 A155 | I147-Y151 HydrophobicContact CG2-CD2 3.64Å; I147-Y151 HydrophobicContact CG2-CE2 3.45Å; I147-Y151 VanDerWaalsContact CG2-CE2 3.45Å; I147-Y151 WeakPolarHBondContact O-CD2 3.13Å; I147-Y151 PolarHBondContact O-N 3.41Å; T148-Y151 PolarHBondContact O-N 2.98Å; N149-Y151 VanDerWaalsContact C-N 3.34Å; N149-Y151 PolarHBondContact O-N 2.88Å; Y151-A155 VanDerWaalsContact O-CB 3.29Å; Y151-A155 WeakPolarHBondContact O-CB 3.25Å |
| 152 | L | 87.8 | Confident | 86.3 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.4 | -56.8 | -173.1 | -177.2 | 66.1 | 0 | 0 | 0 | 112.1 | T148 N149 V156 V176 W180 | T148-L152 WeakPolarHBondContact O-CB 3.42Å; T148-L152 PolarHBondContact O-N 3.15Å; N149-L152 PolarHBondContact O-N 3.26Å; L152-V156 HydrophobicContact CD1-CG2 4.02Å; L152-V156 HydrophobicContact CG-CG2 4.38Å; L152-V156 WeakPolarHBondContact O-CB 3.42Å; L152-V156 WeakPolarHBondContact O-CG2 3.46Å; L152-V156 PolarHBondContact O-N 3.02Å; L152-V176 HydrophobicContact CD1-CG1 4.29Å; L152-V176 HydrophobicContact CD2-CG1 4.19Å; L152-V176 HydrophobicContact CG-CG1 4.27Å; L152-W180 HydrophobicContact CD2-CB 4.27Å; L152-W180 HydrophobicContact CD2-CD2 4.23Å; L152-W180 HydrophobicContact CD2-CE3 3.55Å; L152-W180 HydrophobicContact CD2-CZ3 4.27Å |
| 153 | W | 85.3 | Confident | 85.8 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.5 | -45.2 | -166.4 | -73.2 | 105.6 | 0 | 0 | 0 | 113.8 | N149 A155 V156 Q157 V173 V176 A177 W180 | N149-W153 PolarHBondContact O-N 2.85Å; N149-W153 PolarHBondContact OD1-NE1 2.99Å; W153-A155 VanDerWaalsContact C-N 3.33Å; W153-A155 PolarHBondContact O-N 3.4Å; W153-V156 PolarHBondContact O-N 3.48Å; W153-Q157 VanDerWaalsContact O-CB 3.27Å; W153-Q157 WeakPolarHBondContact O-CB 3.33Å; W153-Q157 WeakPolarHBondContact O-CG 3.43Å; W153-Q157 PolarHBondContact O-N 3.15Å; W153-V173 HydrophobicContact CZ3-CG1 4.25Å; W153-V176 HydrophobicContact CH2-CG1 4.31Å; W153-V176 HydrophobicContact CZ3-CG1 4.32Å; W153-A177 HydrophobicContact CH2-CB 4.19Å; W153-W180 HydrophobicContact CZ2-CB 3.9Å; W153-W180 AromaticContact CZ2-CD1 3.75Å; W153-W180 AromaticContact CZ2-CG 3.78Å; W153-W180 HydrophobicContact CZ2-CG 3.78Å; W153-W180 AromaticContact NE1-CD1 3.88Å; W153-W180 AromaticContact NE1-CD2 3.64Å; W153-W180 AromaticContact NE1-CE2 3.66Å; W153-W180 AromaticContact NE1-CG 3.79Å; W153-W180 AromaticContact NE1-NE1 3.75Å |
| 154 | P | 84.3 | Confident | 84.8 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 173.9 | -29 | 39 | 0 | 0 | 0 | 113.1 | Q108 N149 Y150 L158 | Q108-P154 HydrophobicContact CG-CG 4.21Å; N149-P154 WeakPolarHBondContact O-CD 3.43Å; Y150-P154 WeakPolarHBondContact O-CD 3.26Å; Y150-P154 WeakPolarHBondContact O-CG 3.24Å; P154-L158 VanDerWaalsContact O-CB 3.24Å; P154-L158 WeakPolarHBondContact O-CB 3.28Å; P154-L158 PolarHBondContact O-N 2.99Å |
| 155 | A | 86.4 | Confident | 84 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y151 W153 Q157 L158 A159 | Y151-A155 VanDerWaalsContact O-CB 3.29Å; Y151-A155 WeakPolarHBondContact O-CB 3.25Å; W153-A155 VanDerWaalsContact C-N 3.33Å; W153-A155 PolarHBondContact O-N 3.4Å; A155-Q157 PolarHBondContact O-N 2.94Å; A155-L158 PolarHBondContact O-N 3.47Å; A155-A159 WeakPolarHBondContact O-CB 3.45Å; A155-A159 PolarHBondContact O-N 3.3Å |
| 156 | V | 85.7 | Confident | 82.8 | Confident | 25 Ų | 25 | 65 Ų | 65 | 15% | 0.152 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 178.5 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | L152 W153 A159 N160 V176 | L152-V156 HydrophobicContact CD1-CG2 4.02Å; L152-V156 HydrophobicContact CG-CG2 4.38Å; L152-V156 WeakPolarHBondContact O-CB 3.42Å; L152-V156 WeakPolarHBondContact O-CG2 3.46Å; L152-V156 PolarHBondContact O-N 3.02Å; W153-V156 PolarHBondContact O-N 3.48Å; V156-A159 PolarHBondContact O-N 3.2Å; V156-N160 WeakPolarHBondContact O-CB 2.68Å; V156-N160 PolarHBondContact O-N 2.93Å; V156-V176 HydrophobicContact CG1-CB 4.3Å; V156-V176 HydrophobicContact CG1-CG1 4.19Å; V156-V176 HydrophobicContact CG1-CG2 3.94Å; V156-V176 HydrophobicContact CG2-CG1 3.94Å; V156-V176 HydrophobicContact CG2-CG2 4.12Å |
| 157 | Q | 82.5 | Confident | 81.5 | Confident | 37 Ų | 37 | 69.4 Ų | 69.4 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | -179.2 | -72.3 | -74.2 | 14.2 | 0 | 0 | 112.1 | M104 W153 A155 N160 F161 | M104-Q157 HydrophobicContact CE-CB 4.07Å; M104-Q157 HydrophobicContact SD-CB 3.12Å; M104-Q157 WeakPolarHBondContact SD-CB 3.19Å; M104-Q157 HydrophobicContact SD-CG 3.54Å; M104-Q157 VanDerWaalsContact SD-CG 3.54Å; W153-Q157 VanDerWaalsContact O-CB 3.27Å; W153-Q157 WeakPolarHBondContact O-CB 3.33Å; W153-Q157 WeakPolarHBondContact O-CG 3.43Å; W153-Q157 PolarHBondContact O-N 3.15Å; A155-Q157 PolarHBondContact O-N 2.94Å; Q157-N160 PolarHBondContact O-N 2.92Å; Q157-F161 HydrophobicContact CB-CD2 4.47Å; Q157-F161 HydrophobicContact CB-CE2 4.1Å; Q157-F161 WeakPolarHBondContact O-CD2 3.42Å; Q157-F161 WeakPolarHBondContact O-CG 3.15Å; Q157-F161 PolarHBondContact O-N 2.87Å |
| 158 | L | 83 | Confident | 80.4 | Confident | 112 Ų | 112 | 71.9 Ų | 71.9 | 59% | 0.586 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.7 | -48.3 | 175.3 | -174.9 | 64.5 | 0 | 0 | 0 | 111 | P154 A155 N160 F161 Y162 | P154-L158 VanDerWaalsContact O-CB 3.24Å; P154-L158 WeakPolarHBondContact O-CB 3.28Å; P154-L158 PolarHBondContact O-N 2.99Å; A155-L158 PolarHBondContact O-N 3.47Å; L158-N160 VanDerWaalsContact C-N 3.31Å; L158-N160 PolarHBondContact O-N 3.36Å; L158-F161 PolarHBondContact O-N 3.34Å; L158-Y162 WeakPolarHBondContact O-CB 3.45Å; L158-Y162 PolarHBondContact O-N 2.84Å |
| 159 | A | 84.2 | Confident | 79.4 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 35% | 0.347 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A155 V156 F161 Y162 L163 | A155-A159 WeakPolarHBondContact O-CB 3.45Å; A155-A159 PolarHBondContact O-N 3.3Å; V156-A159 PolarHBondContact O-N 3.2Å; A159-F161 PolarHBondContact O-N 3.47Å; A159-Y162 PolarHBondContact O-N 2.86Å; A159-L163 HydrophobicContact CB-CD1 4.34Å; A159-L163 VanDerWaalsContact O-CB 3.32Å; A159-L163 WeakPolarHBondContact O-CB 3.35Å; A159-L163 PolarHBondContact O-N 3.28Å |
| 160 | N | 79.2 | Confident | 78.3 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 179.4 | -162.4 | 33.6 | 0 | 0 | 0 | 112.4 | V156 Q157 L158 V164 R169 V173 | V156-N160 WeakPolarHBondContact O-CB 2.68Å; V156-N160 PolarHBondContact O-N 2.93Å; Q157-N160 PolarHBondContact O-N 2.92Å; L158-N160 VanDerWaalsContact C-N 3.31Å; L158-N160 PolarHBondContact O-N 3.36Å; N160-V164 WeakPolarHBondContact O-CB 3.46Å; N160-V164 PolarHBondContact O-N 3.38Å; N160-V164 WeakPolarHBondContact OD1-CB 3.43Å; N160-R169 PolarHBondContact ND2-O 3.42Å; N160-R169 PolarHBondContact O-NE 2.92Å; N160-R169 VanDerWaalsContact O-NE 3.15Å; N160-R169 VanDerWaalsContact OD1-CA 3.25Å; N160-R169 WeakPolarHBondContact OD1-CA 3Å; N160-R169 WeakPolarHBondContact OD1-CB 3.34Å; N160-R169 WeakPolarHBondContact OD1-CG 3.46Å; N160-V173 VanDerWaalsContact ND2-CG2 3.32Å; N160-V173 WeakPolarHBondContact ND2-CG2 3.14Å |
| 161 | F | 77.1 | Confident | 77.3 | Confident | 40 Ų | 40 | 73 Ų | 73 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -77 | -29.9 | 177.2 | -67.3 | -46.9 | 0 | 0 | 0 | 113.7 | A100 Q157 L158 A159 R169 | A100-F161 HydrophobicContact CB-CD1 4.41Å; A100-F161 HydrophobicContact CB-CE1 3.7Å; A100-F161 HydrophobicContact CB-CE2 3.97Å; A100-F161 HydrophobicContact CB-CZ 3.46Å; A100-F161 VanDerWaalsContact CB-CZ 3.46Å; Q157-F161 HydrophobicContact CB-CD2 4.47Å; Q157-F161 HydrophobicContact CB-CE2 4.1Å; Q157-F161 WeakPolarHBondContact O-CD2 3.42Å; Q157-F161 WeakPolarHBondContact O-CG 3.15Å; Q157-F161 PolarHBondContact O-N 2.87Å; L158-F161 PolarHBondContact O-N 3.34Å; A159-F161 PolarHBondContact O-N 3.47Å; F161-R169 PolarHBondContact O-NH2 2.74Å |
| 162 | Y | 76.5 | Confident | 76.6 | Confident | 199 Ų | 199 | 66.9 Ų | 66.9 | 78% | 0.78 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -90.2 | -47.4 | -176.1 | -162.8 | -98 | 0 | 0 | 0 | 113.1 | L158 A159 | L158-Y162 WeakPolarHBondContact O-CB 3.45Å; L158-Y162 PolarHBondContact O-N 2.84Å; A159-Y162 PolarHBondContact O-N 2.86Å |
| 163 | L | 79.6 | Confident | 76 | Confident | 130 Ų | 130 | 65.9 Ų | 65.9 | 68% | 0.681 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -31.2 | -171.2 | -57.6 | 174 | 0 | 0 | 0 | 113.3 | A159 | A159-L163 HydrophobicContact CB-CD1 4.34Å; A159-L163 VanDerWaalsContact O-CB 3.32Å; A159-L163 WeakPolarHBondContact O-CB 3.35Å; A159-L163 PolarHBondContact O-N 3.28Å |
| 164 | V | 71.3 | Confident | 75.5 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -97.8 | 125.9 | -167.6 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | N160 R169 V172 | N160-V164 WeakPolarHBondContact O-CB 3.46Å; N160-V164 PolarHBondContact O-N 3.38Å; N160-V164 WeakPolarHBondContact OD1-CB 3.43Å; V164-R169 HydrophobicContact CB-CG 4.18Å; V164-R169 HydrophobicContact CG1-CG 3.97Å; V164-R169 PolarHBondContact O-NE 3.47Å; V164-R169 PolarHBondContact O-NH2 3.43Å; V164-V172 HydrophobicContact CG1-CG2 4Å; V164-V172 HydrophobicContact CG2-CG2 4.17Å |
| 165 | P | 71.7 | Confident | 75.1 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 42% | 0.416 | 37% | 0.37 | S | S | . | . | trans | -60.2 | 146.8 | 172.6 | -23 | 33.3 | 0 | 0 | 0 | 112.2 | H167 Y168 R169 | P165-H167 WeakPolarHBondContact CB-CE1 3.35Å; P165-H167 WeakPolarHBondContact CB-NE2 3.24Å; P165-H167 PolarHBondContact O-N 2.96Å; P165-Y168 HydrophobicContact CB-CD2 4.22Å; P165-Y168 HydrophobicContact CG-CD2 4.2Å; P165-Y168 PolarHBondContact O-N 3.08Å; P165-R169 WeakPolarHBondContact O-CG 3.5Å; P165-R169 PolarHBondContact O-N 3.45Å | ||
| 166 | L | 65.1 | Low | 74.9 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -37.4 | -170 | -174 | 63 | 0 | 0 | 0 | 114.8 | P15 | P15-L166 HydrophobicContact CB-CD1 3.69Å; P15-L166 HydrophobicContact CB-CD2 3.96Å; P15-L166 HydrophobicContact CB-CG 4Å; P15-L166 HydrophobicContact CG-CD1 3.77Å; P15-L166 HydrophobicContact CG-CD2 3.95Å; P15-L166 HydrophobicContact CG-CG 4.31Å |
| 167 | H | 62.4 | Low | 74.6 | Confident | 118 Ų | 118 | 67.1 Ų | 67.1 | 55% | 0.546 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -26.7 | -177.7 | 40.4 | -85.4 | 0 | 0 | 0 | 113.7 | P165 | P165-H167 WeakPolarHBondContact CB-CE1 3.35Å; P165-H167 WeakPolarHBondContact CB-NE2 3.24Å; P165-H167 PolarHBondContact O-N 2.96Å |
| 168 | Y | 68.9 | Low | 74.4 | Confident | 141 Ų | 141 | 66.6 Ų | 66.6 | 55% | 0.553 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -10.8 | 178.2 | -64 | -59.7 | 0 | 0 | 0 | 113.7 | P165 L170 A171 V172 | P165-Y168 HydrophobicContact CB-CD2 4.22Å; P165-Y168 HydrophobicContact CG-CD2 4.2Å; P165-Y168 PolarHBondContact O-N 3.08Å; Y168-L170 VanDerWaalsContact C-N 3.29Å; Y168-L170 PolarHBondContact O-N 3.22Å; Y168-A171 WeakPolarHBondContact O-CB 3.44Å; Y168-A171 PolarHBondContact O-N 3.49Å; Y168-A171 VanDerWaalsContact O-N 3.07Å; Y168-V172 PolarHBondContact O-N 2.78Å; Y168-V172 VanDerWaalsContact O-N 3.08Å |
| 169 | R | 68.1 | Low | 74.5 | Confident | 41 Ų | 41 | 66.7 Ų | 66.7 | 16% | 0.155 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -38.7 | -174.2 | -69 | -172.2 | -175.8 | 172.1 | -6.9 | 114 | N160 F161 V164 P165 V173 | N160-R169 PolarHBondContact ND2-O 3.42Å; N160-R169 PolarHBondContact O-NE 2.92Å; N160-R169 VanDerWaalsContact O-NE 3.15Å; N160-R169 VanDerWaalsContact OD1-CA 3.25Å; N160-R169 WeakPolarHBondContact OD1-CA 3Å; N160-R169 WeakPolarHBondContact OD1-CB 3.34Å; N160-R169 WeakPolarHBondContact OD1-CG 3.46Å; F161-R169 PolarHBondContact O-NH2 2.74Å; V164-R169 HydrophobicContact CB-CG 4.18Å; V164-R169 HydrophobicContact CG1-CG 3.97Å; V164-R169 PolarHBondContact O-NE 3.47Å; V164-R169 PolarHBondContact O-NH2 3.43Å; P165-R169 WeakPolarHBondContact O-CG 3.5Å; P165-R169 PolarHBondContact O-N 3.45Å; R169-V173 VanDerWaalsContact O-CG2 3.27Å; R169-V173 WeakPolarHBondContact O-CG2 3.15Å; R169-V173 PolarHBondContact O-N 3.07Å; R169-V173 VanDerWaalsContact O-N 3.13Å |
| 170 | L | 67.1 | Low | 74.6 | Confident | 72 Ų | 72 | 65.4 Ų | 65.4 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66 | -46 | 176.9 | -175.6 | 68.8 | 0 | 0 | 0 | 110.6 | Q19 Y168 V172 V173 Q174 | Q19-L170 HydrophobicContact CB-CD2 4.46Å; Q19-L170 HydrophobicContact CG-CD2 4.05Å; Y168-L170 VanDerWaalsContact C-N 3.29Å; Y168-L170 PolarHBondContact O-N 3.22Å; L170-V172 VanDerWaalsContact C-N 3.32Å; L170-V172 PolarHBondContact O-N 3.15Å; L170-V173 PolarHBondContact O-N 3.19Å; L170-Q174 HydrophobicContact CD1-CG 4.28Å; L170-Q174 HydrophobicContact CG-CG 4.16Å; L170-Q174 VanDerWaalsContact O-CG 3.23Å; L170-Q174 WeakPolarHBondContact O-CG 3.49Å; L170-Q174 PolarHBondContact O-N 2.88Å |
| 171 | A | 69.1 | Low | 74.9 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y168 V173 Q174 C175 | Y168-A171 WeakPolarHBondContact O-CB 3.44Å; Y168-A171 PolarHBondContact O-N 3.49Å; Y168-A171 VanDerWaalsContact O-N 3.07Å; A171-V173 PolarHBondContact O-N 2.81Å; A171-Q174 PolarHBondContact O-N 3.29Å; A171-C175 PolarHBondContact O-N 3.49Å; A171-C175 PolarHBondContact O-SG 3.38Å |
| 172 | V | 73.2 | Confident | 75.2 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 176.4 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | V164 Y168 L170 Q174 C175 V176 | V164-V172 HydrophobicContact CG1-CG2 4Å; V164-V172 HydrophobicContact CG2-CG2 4.17Å; Y168-V172 PolarHBondContact O-N 2.78Å; Y168-V172 VanDerWaalsContact O-N 3.08Å; L170-V172 VanDerWaalsContact C-N 3.32Å; L170-V172 PolarHBondContact O-N 3.15Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 2.83Å; V172-C175 PolarHBondContact O-N 2.88Å; V172-V176 WeakPolarHBondContact O-CG2 3.25Å; V172-V176 PolarHBondContact O-N 3.23Å |
| 173 | V | 74.4 | Confident | 75.7 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 178.1 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | W153 N160 R169 L170 A171 V176 A177 | W153-V173 HydrophobicContact CZ3-CG1 4.25Å; N160-V173 VanDerWaalsContact ND2-CG2 3.32Å; N160-V173 WeakPolarHBondContact ND2-CG2 3.14Å; R169-V173 VanDerWaalsContact O-CG2 3.27Å; R169-V173 WeakPolarHBondContact O-CG2 3.15Å; R169-V173 PolarHBondContact O-N 3.07Å; R169-V173 VanDerWaalsContact O-N 3.13Å; L170-V173 PolarHBondContact O-N 3.19Å; A171-V173 PolarHBondContact O-N 2.81Å; V173-V176 PolarHBondContact O-N 3.14Å; V173-A177 VanDerWaalsContact O-CB 3.26Å; V173-A177 WeakPolarHBondContact O-CB 3.46Å; V173-A177 PolarHBondContact O-N 3.3Å |
| 174 | Q | 75.4 | Confident | 75.9 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 30% | 0.304 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 178.9 | -63.8 | -63.4 | 69.2 | 0 | 0 | 112.2 | L170 A171 V172 A177 V178 | L170-Q174 HydrophobicContact CD1-CG 4.28Å; L170-Q174 HydrophobicContact CG-CG 4.16Å; L170-Q174 VanDerWaalsContact O-CG 3.23Å; L170-Q174 WeakPolarHBondContact O-CG 3.49Å; L170-Q174 PolarHBondContact O-N 2.88Å; A171-Q174 PolarHBondContact O-N 3.29Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 2.83Å; Q174-A177 PolarHBondContact O-N 3.04Å; Q174-V178 WeakPolarHBondContact O-CG2 3.28Å; Q174-V178 PolarHBondContact O-N 2.92Å; Q174-V178 VanDerWaalsContact O-N 3.1Å |
| 175 | C | 76.6 | Confident | 76.5 | Confident | 84 Ų | 84 | 50 Ų | 50 | 57% | 0.568 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 173.9 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | A171 V172 A177 V178 I179 | A171-C175 PolarHBondContact O-N 3.49Å; A171-C175 PolarHBondContact O-SG 3.38Å; V172-C175 PolarHBondContact O-N 2.88Å; C175-A177 VanDerWaalsContact C-N 3.32Å; C175-A177 PolarHBondContact O-N 2.87Å; C175-V178 PolarHBondContact O-N 2.94Å; C175-I179 PolarHBondContact O-N 3.04Å |
| 176 | V | 82.5 | Confident | 77.1 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | 176.1 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L152 W153 V156 V172 V173 V178 I179 W180 | L152-V176 HydrophobicContact CD1-CG1 4.29Å; L152-V176 HydrophobicContact CD2-CG1 4.19Å; L152-V176 HydrophobicContact CG-CG1 4.27Å; W153-V176 HydrophobicContact CH2-CG1 4.31Å; W153-V176 HydrophobicContact CZ3-CG1 4.32Å; V156-V176 HydrophobicContact CG1-CB 4.3Å; V156-V176 HydrophobicContact CG1-CG1 4.19Å; V156-V176 HydrophobicContact CG1-CG2 3.94Å; V156-V176 HydrophobicContact CG2-CG1 3.94Å; V156-V176 HydrophobicContact CG2-CG2 4.12Å; V172-V176 WeakPolarHBondContact O-CG2 3.25Å; V172-V176 PolarHBondContact O-N 3.23Å; V173-V176 PolarHBondContact O-N 3.14Å; V176-V178 VanDerWaalsContact C-N 3.27Å; V176-V178 PolarHBondContact O-N 3.19Å; V176-I179 WeakPolarHBondContact O-CB 3.17Å; V176-I179 PolarHBondContact O-N 3.01Å; V176-I179 VanDerWaalsContact O-N 3.1Å; V176-W180 PolarHBondContact O-N 3.43Å |
| 177 | A | 79.4 | Confident | 78 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -35.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W153 V173 Q174 C175 W180 N181 | W153-A177 HydrophobicContact CH2-CB 4.19Å; V173-A177 VanDerWaalsContact O-CB 3.26Å; V173-A177 WeakPolarHBondContact O-CB 3.46Å; V173-A177 PolarHBondContact O-N 3.3Å; Q174-A177 PolarHBondContact O-N 3.04Å; C175-A177 VanDerWaalsContact C-N 3.32Å; C175-A177 PolarHBondContact O-N 2.87Å; A177-W180 PolarHBondContact O-N 3.46Å; A177-N181 VanDerWaalsContact O-CB 3.32Å; A177-N181 WeakPolarHBondContact O-CB 3.33Å; A177-N181 PolarHBondContact O-N 2.86Å; A177-N181 PolarHBondContact O-ND2 2.87Å |
| 178 | V | 78 | Confident | 78.9 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 173.6 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | L41 L44 I48 Q174 C175 V176 W180 N181 S182 | L41-V178 HydrophobicContact CD2-CG2 4.01Å; L44-V178 HydrophobicContact CD2-CB 4.34Å; L44-V178 HydrophobicContact CD2-CG1 3.47Å; L44-V178 VanDerWaalsContact CD2-CG1 3.47Å; L44-V178 HydrophobicContact CD2-CG2 3.85Å; I48-V178 HydrophobicContact CD1-CG1 3.36Å; Q174-V178 WeakPolarHBondContact O-CG2 3.28Å; Q174-V178 PolarHBondContact O-N 2.92Å; Q174-V178 VanDerWaalsContact O-N 3.1Å; C175-V178 PolarHBondContact O-N 2.94Å; V176-V178 VanDerWaalsContact C-N 3.27Å; V176-V178 PolarHBondContact O-N 3.19Å; V178-W180 VanDerWaalsContact C-N 3.34Å; V178-N181 PolarHBondContact O-N 3.48Å; V178-S182 PolarHBondContact O-N 3.26Å; V178-S182 PolarHBondContact O-OG 3.4Å |
| 179 | I | 84.8 | Confident | 79.4 | Confident | 114 Ų | 114 | 37.2 Ų | 37.2 | 59% | 0.585 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -62.1 | -45.8 | 176.6 | -61.1 | 170.1 | 0 | 0 | 0 | 109.9 | C175 V176 S182 Y183 | C175-I179 PolarHBondContact O-N 3.04Å; V176-I179 WeakPolarHBondContact O-CB 3.17Å; V176-I179 PolarHBondContact O-N 3.01Å; V176-I179 VanDerWaalsContact O-N 3.1Å; I179-S182 WeakPolarHBondContact O-CB 3.29Å; I179-S182 PolarHBondContact O-N 3.43Å; I179-Y183 PolarHBondContact O-N 2.89Å |
| 180 | W | 87.1 | Confident | 79.8 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 177.8 | -179.9 | -113.3 | 0 | 0 | 0 | 112.7 | L116 T148 N149 L152 W153 V176 A177 V178 S182 Y183 L184 | L116-W180 HydrophobicContact CD2-CZ2 4.22Å; T148-W180 HydrophobicContact CG2-CZ3 3.9Å; N149-W180 HydrophobicContact CB-CH2 3.61Å; N149-W180 HydrophobicContact CB-CZ2 3.9Å; N149-W180 HydrophobicContact CB-CZ3 4.48Å; N149-W180 WeakPolarHBondContact OD1-CZ2 2.91Å; L152-W180 HydrophobicContact CD2-CB 4.27Å; L152-W180 HydrophobicContact CD2-CD2 4.23Å; L152-W180 HydrophobicContact CD2-CE3 3.55Å; L152-W180 HydrophobicContact CD2-CZ3 4.27Å; W153-W180 HydrophobicContact CZ2-CB 3.9Å; W153-W180 AromaticContact CZ2-CD1 3.75Å; W153-W180 AromaticContact CZ2-CG 3.78Å; W153-W180 HydrophobicContact CZ2-CG 3.78Å; W153-W180 AromaticContact NE1-CD1 3.88Å; W153-W180 AromaticContact NE1-CD2 3.64Å; W153-W180 AromaticContact NE1-CE2 3.66Å; W153-W180 AromaticContact NE1-CG 3.79Å; W153-W180 AromaticContact NE1-NE1 3.75Å; V176-W180 PolarHBondContact O-N 3.43Å; A177-W180 PolarHBondContact O-N 3.46Å; V178-W180 VanDerWaalsContact C-N 3.34Å; W180-S182 VanDerWaalsContact C-N 3.26Å; W180-S182 PolarHBondContact O-N 3.23Å; W180-Y183 AromaticContact CE3-CD1 3.8Å; W180-Y183 HydrophobicContact CE3-CD1 3.8Å; W180-Y183 HydrophobicContact CE3-CE1 4.47Å; W180-Y183 HydrophobicContact CH2-CD1 4.02Å; W180-Y183 AromaticContact CH2-CE1 3.99Å; W180-Y183 HydrophobicContact CH2-CE1 3.99Å; W180-Y183 AromaticContact CZ3-CD1 3.44Å; W180-Y183 HydrophobicContact CZ3-CD1 3.44Å; W180-Y183 VanDerWaalsContact CZ3-CD1 3.44Å; W180-Y183 AromaticContact CZ3-CE1 3.67Å; W180-Y183 HydrophobicContact CZ3-CE1 3.67Å; W180-Y183 WeakPolarHBondContact O-CB 3.2Å; W180-Y183 PolarHBondContact O-N 3.03Å; W180-L184 HydrophobicContact CD2-CG 4.33Å; W180-L184 HydrophobicContact CH2-CD2 4.38Å; W180-L184 HydrophobicContact CZ2-CD1 4.25Å; W180-L184 HydrophobicContact CZ2-CD2 3.86Å; W180-L184 HydrophobicContact CZ2-CG 4.06Å; W180-L184 VanDerWaalsContact NE1-CD1 3.31Å; W180-L184 PolarHBondContact O-N 2.84Å |
| 181 | N | 84.8 | Confident | 79.3 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -35.9 | 176.1 | -73.2 | -24.3 | 0 | 0 | 0 | 111.8 | A177 V178 S185 | A177-N181 VanDerWaalsContact O-CB 3.32Å; A177-N181 WeakPolarHBondContact O-CB 3.33Å; A177-N181 PolarHBondContact O-N 2.86Å; A177-N181 PolarHBondContact O-ND2 2.87Å; V178-N181 PolarHBondContact O-N 3.48Å; N181-S185 VanDerWaalsContact O-CB 3.29Å; N181-S185 WeakPolarHBondContact O-CB 3.45Å; N181-S185 PolarHBondContact O-N 2.68Å |
| 182 | S | 83.4 | Confident | 79.8 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 174.1 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | G45 S49 V178 I179 W180 S185 W186 | G45-S182 WeakPolarHBondContact CA-OG 3.44Å; G45-S182 VanDerWaalsContact O-CA 3.28Å; G45-S182 WeakPolarHBondContact O-CA 3.48Å; G45-S182 WeakPolarHBondContact O-CB 3.36Å; G45-S182 PolarHBondContact O-OG 2.9Å; G45-S182 VanDerWaalsContact O-OG 3.07Å; S49-S182 WeakPolarHBondContact CB-O 3.26Å; S49-S182 PolarHBondContact OG-O 3.41Å; V178-S182 PolarHBondContact O-N 3.26Å; V178-S182 PolarHBondContact O-OG 3.4Å; I179-S182 WeakPolarHBondContact O-CB 3.29Å; I179-S182 PolarHBondContact O-N 3.43Å; W180-S182 VanDerWaalsContact C-N 3.26Å; W180-S182 PolarHBondContact O-N 3.23Å; S182-S185 PolarHBondContact O-N 3.08Å; S182-W186 WeakPolarHBondContact O-CB 3.5Å; S182-W186 PolarHBondContact O-N 3.02Å |
| 183 | Y | 86.9 | Confident | 80.2 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 18% | 0.184 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 175.2 | 172.4 | -105.2 | 0 | 0 | 0 | 112.5 | T148 I179 W180 S185 W186 K187 | T148-Y183 HydrophobicContact CG2-CD1 4.44Å; T148-Y183 HydrophobicContact CG2-CE1 3.82Å; T148-Y183 PolarHBondContact OG1-OH 3.25Å; I179-Y183 PolarHBondContact O-N 2.89Å; W180-Y183 AromaticContact CE3-CD1 3.8Å; W180-Y183 HydrophobicContact CE3-CD1 3.8Å; W180-Y183 HydrophobicContact CE3-CE1 4.47Å; W180-Y183 HydrophobicContact CH2-CD1 4.02Å; W180-Y183 AromaticContact CH2-CE1 3.99Å; W180-Y183 HydrophobicContact CH2-CE1 3.99Å; W180-Y183 AromaticContact CZ3-CD1 3.44Å; W180-Y183 HydrophobicContact CZ3-CD1 3.44Å; W180-Y183 VanDerWaalsContact CZ3-CD1 3.44Å; W180-Y183 AromaticContact CZ3-CE1 3.67Å; W180-Y183 HydrophobicContact CZ3-CE1 3.67Å; W180-Y183 WeakPolarHBondContact O-CB 3.2Å; W180-Y183 PolarHBondContact O-N 3.03Å; Y183-S185 VanDerWaalsContact C-N 3.31Å; Y183-S185 PolarHBondContact O-N 2.99Å; Y183-W186 HydrophobicContact CD2-CE3 4.16Å; Y183-W186 HydrophobicContact CD2-CZ3 4.43Å; Y183-W186 HydrophobicContact CE2-CE3 4.18Å; Y183-W186 HydrophobicContact CE2-CZ3 4.05Å; Y183-W186 PolarHBondContact O-N 3.24Å; Y183-K187 HydrophobicContact CE1-CD 4.11Å; Y183-K187 HydrophobicContact CE2-CD 4.15Å; Y183-K187 WeakPolarHBondContact O-CB 3.02Å; Y183-K187 PolarHBondContact O-N 3.17Å; Y183-K187 WeakPolarHBondContact OH-CD 3.48Å; Y183-K187 PolarHBondContact OH-NZ 3.04Å |
| 184 | L | 83.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 176.3 | -76.5 | -177.8 | 0 | 0 | 0 | 111.7 | L116 F119 W180 K187 A188 | L116-L184 HydrophobicContact CD2-CD2 3.75Å; F119-L184 HydrophobicContact CD1-CD1 4.48Å; F119-L184 HydrophobicContact CE1-CB 4.18Å; F119-L184 HydrophobicContact CE1-CD1 4.17Å; W180-L184 HydrophobicContact CD2-CG 4.33Å; W180-L184 HydrophobicContact CH2-CD2 4.38Å; W180-L184 HydrophobicContact CZ2-CD1 4.25Å; W180-L184 HydrophobicContact CZ2-CD2 3.86Å; W180-L184 HydrophobicContact CZ2-CG 4.06Å; W180-L184 VanDerWaalsContact NE1-CD1 3.31Å; W180-L184 PolarHBondContact O-N 2.84Å; L184-K187 PolarHBondContact O-N 3.01Å; L184-A188 WeakPolarHBondContact O-CB 3.34Å; L184-A188 PolarHBondContact O-N 3.14Å |
| 185 | S | 83.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -50.8 | 173.8 | 160.6 | 0 | 0 | 0 | 0 | 112.2 | D46 S49 R65 N181 S182 Y183 K187 A188 H189 | D46-S185 WeakPolarHBondContact OD1-CB 3.5Å; D46-S185 PolarHBondContact OD1-OG 2.82Å; S49-S185 WeakPolarHBondContact CB-OG 3.3Å; S49-S185 PolarHBondContact OG-OG 2.91Å; R65-S185 PolarHBondContact NH2-OG 2.89Å; N181-S185 VanDerWaalsContact O-CB 3.29Å; N181-S185 WeakPolarHBondContact O-CB 3.45Å; N181-S185 PolarHBondContact O-N 2.68Å; S182-S185 PolarHBondContact O-N 3.08Å; Y183-S185 VanDerWaalsContact C-N 3.31Å; Y183-S185 PolarHBondContact O-N 2.99Å; S185-K187 PolarHBondContact O-N 2.62Å; S185-A188 PolarHBondContact O-N 3.3Å; S185-H189 WeakPolarHBondContact O-CB 3.38Å; S185-H189 PolarHBondContact O-N 3.04Å; S185-H189 VanDerWaalsContact O-N 3.13Å; S185-H189 PolarHBondContact O-ND1 3.33Å |
| 186 | W | 85.3 | Confident | 81.1 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 24% | 0.239 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 177.9 | 174.2 | 73.6 | 0 | 0 | 0 | 111.5 | S49 V53 S182 Y183 A188 H189 R190 | S49-W186 WeakPolarHBondContact OG-CA 3.47Å; S49-W186 WeakPolarHBondContact OG-CB 3.31Å; S49-W186 PolarHBondContact OG-N 3.2Å; V53-W186 HydrophobicContact CG1-CB 4.42Å; V53-W186 HydrophobicContact CG1-CD2 4.39Å; V53-W186 HydrophobicContact CG1-CG 3.89Å; S182-W186 WeakPolarHBondContact O-CB 3.5Å; S182-W186 PolarHBondContact O-N 3.02Å; Y183-W186 HydrophobicContact CD2-CE3 4.16Å; Y183-W186 HydrophobicContact CD2-CZ3 4.43Å; Y183-W186 HydrophobicContact CE2-CE3 4.18Å; Y183-W186 HydrophobicContact CE2-CZ3 4.05Å; Y183-W186 PolarHBondContact O-N 3.24Å; W186-A188 PolarHBondContact O-N 2.82Å; W186-H189 PolarHBondContact O-N 3.44Å; W186-R190 VanDerWaalsContact CZ2-NH1 3.28Å; W186-R190 VanDerWaalsContact O-CB 3.28Å; W186-R190 WeakPolarHBondContact O-CB 3.27Å; W186-R190 PolarHBondContact O-N 3.07Å |
| 187 | K | 84.4 | Confident | 81 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 6% | 0.057 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | -176.4 | -160.6 | 150.6 | -160.4 | 163.5 | 0 | 112.4 | K137 D141 D144 A145 Y183 L184 S185 H189 | K137-K187 PolarHBondContact NZ-O 3.2Å; D141-K187 HydrophobicContact CB-CG 4.22Å; D144-K187 VanDerWaalsContact CG-NZ 3.35Å; D144-K187 IonicContact OD2-NZ 3.26Å; D144-K187 PolarHBondContact OD2-NZ 3.44Å; A145-K187 HydrophobicContact CB-CD 4.3Å; Y183-K187 HydrophobicContact CE1-CD 4.11Å; Y183-K187 HydrophobicContact CE2-CD 4.15Å; Y183-K187 WeakPolarHBondContact O-CB 3.02Å; Y183-K187 PolarHBondContact O-N 3.17Å; Y183-K187 WeakPolarHBondContact OH-CD 3.48Å; Y183-K187 PolarHBondContact OH-NZ 3.04Å; L184-K187 PolarHBondContact O-N 3.01Å; S185-K187 PolarHBondContact O-N 2.62Å; K187-H189 VanDerWaalsContact C-N 3.3Å; K187-H189 PolarHBondContact O-N 3.4Å |
| 188 | A | 80.2 | Confident | 81.1 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68 | -28.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M69 L120 V123 K137 L184 S185 W186 | M69-A188 HydrophobicContact CE-CB 4.46Å; L120-A188 HydrophobicContact CD2-CB 4.29Å; V123-A188 HydrophobicContact CB-CB 4.13Å; V123-A188 HydrophobicContact CG1-CB 3.63Å; V123-A188 HydrophobicContact CG2-CB 4.42Å; K137-A188 WeakPolarHBondContact CE-O 3.37Å; K137-A188 PolarHBondContact NZ-O 3.31Å; L184-A188 WeakPolarHBondContact O-CB 3.34Å; L184-A188 PolarHBondContact O-N 3.14Å; S185-A188 PolarHBondContact O-N 3.3Å; W186-A188 PolarHBondContact O-N 2.82Å |
| 189 | H | 78.6 | Confident | 81.3 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 15% | 0.153 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -104.6 | -7.9 | -176.9 | -65.3 | 94.4 | 0 | 0 | 0 | 115.1 | R65 N127 S185 W186 K187 L191 | R65-H189 VanDerWaalsContact CD-CD2 3.47Å; R65-H189 WeakPolarHBondContact CD-CD2 3.13Å; R65-H189 VanDerWaalsContact CD-CG 3.44Å; R65-H189 VanDerWaalsContact CG-CD2 3.46Å; R65-H189 WeakPolarHBondContact CG-CD2 3.48Å; R65-H189 VanDerWaalsContact CG-CE1 3.46Å; R65-H189 WeakPolarHBondContact CG-CE1 3.36Å; R65-H189 WeakPolarHBondContact CG-NE2 3.45Å; N127-H189 PolarHBondContact ND2-CD2 2.95Å; N127-H189 PolarHBondContact ND2-NE2 3.46Å; N127-H189 PolarHBondContact OD1-NE2 2.95Å; S185-H189 WeakPolarHBondContact O-CB 3.38Å; S185-H189 PolarHBondContact O-N 3.04Å; S185-H189 VanDerWaalsContact O-N 3.13Å; S185-H189 PolarHBondContact O-ND1 3.33Å; W186-H189 PolarHBondContact O-N 3.44Å; K187-H189 VanDerWaalsContact C-N 3.3Å; K187-H189 PolarHBondContact O-N 3.4Å; H189-L191 PolarHBondContact O-N 2.9Å |
| 190 | R | 77.6 | Confident | 81 | Confident | 149 Ų | 149 | 43.9 Ų | 43.9 | 56% | 0.562 | 20% | 0.197 | S | C | * | . | trans | -73.7 | 117.3 | 171.7 | -173 | 177.3 | -174.5 | -162.2 | -0.7 | 109.7 | K137 W186 | K137-R190 PolarHBondContact NZ-O 3.2Å; W186-R190 VanDerWaalsContact CZ2-NH1 3.28Å; W186-R190 VanDerWaalsContact O-CB 3.28Å; W186-R190 WeakPolarHBondContact O-CB 3.27Å; W186-R190 PolarHBondContact O-N 3.07Å | ||
| 191 | L | 56.7 | Low | 80.5 | Confident | 172 Ų | 172 | 46.5 Ų | 46.5 | 90% | 0.901 | 21% | 0.209 | S | C | * | . | trans | -68.2 | 0 | 173.4 | -67.1 | 170.1 | 0 | 0 | 0 | 110.6 | R140 H189 | R140-L191 VanDerWaalsContact CZ-OXT 3.22Å; R140-L191 PolarHBondContact NH1-OXT 3.02Å; R140-L191 PolarHBondContact NH2-OXT 3.26Å; H189-L191 PolarHBondContact O-N 2.9Å |
Retrieved 191 of 191 residues in 564.1 ms
(Link to these results)