| 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 | 38.2 | Very low | 44.6 | Very low | 239 Ų | 239 | 138.2 Ų | 138.2 | 100% | 1.177 | 77% | 0.772 | S | S | * | * | 0 | 103.8 | 0 | -94.4 | 175.2 | -89.6 | 0 | 0 | 108.1 | S3 | M1-S3 PolarHBondContact O-N 3.35Š| |||
| 2 | V | 36.5 | Very low | 46.4 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -71.4 | 100.1 | -178.9 | 175.6 | 0 | 0 | 0 | 0 | 107.5 | A5 | V2-A5 HydrophobicContact CG1-CB 4.09Š| ||
| 3 | S | 43.8 | Very low | 48.5 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -129.4 | 40.9 | 175.6 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | M1 | M1-S3 PolarHBondContact O-N 3.35Š| ||
| 4 | A | 41.8 | Very low | 51.2 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | trans | -129.8 | 14.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 5 | A | 44.5 | Very low | 53.6 | Low | 70 Ų | 70 | 122 Ų | 122 | 58% | 0.579 | 68% | 0.677 | S | S | * | * | trans | -118.3 | 81.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V2 | V2-A5 HydrophobicContact CG1-CB 4.09Š| ||
| 6 | F | 38.8 | Very low | 55.7 | Low | 193 Ų | 193 | 117.2 Ų | 117.2 | 85% | 0.846 | 65% | 0.651 | S | S | * | * | trans | 174.5 | 51.1 | 148.6 | -105.3 | -78.7 | 0 | 0 | 0 | 108.7 | E8 | F6-E8 PolarHBondContact O-N 2.92Š| ||
| 7 | K | 39.8 | Very low | 57.6 | Low | 194 Ų | 194 | 110.4 Ų | 110.4 | 84% | 0.843 | 61% | 0.614 | S | S | * | * | trans | -79.6 | 93.8 | 148.6 | -113.7 | 178.7 | 178.5 | -179.7 | 0 | 103.8 | T9 | K7-T9 VanDerWaalsContact C-N 3.26Å; K7-T9 PolarHBondContact O-N 3.28Å; K7-T9 PolarHBondContact O-OG1 3.49Å | ||
| 8 | E | 42.5 | Very low | 59.4 | Low | 147 Ų | 147 | 107.8 Ų | 107.8 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | trans | -47.7 | 102.4 | 164.3 | -108.5 | -175.9 | 169.7 | 0 | 0 | 106.4 | F6 Q10 | F6-E8 PolarHBondContact O-N 2.92Å; E8-Q10 PolarHBondContact O-N 3.18Å | ||
| 9 | T | 44.8 | Very low | 61 | Low | 131 Ų | 131 | 110.7 Ų | 110.7 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | trans | -76.3 | 79.9 | 166.2 | -47.7 | 0 | 0 | 0 | 0 | 102.8 | K7 S11 | K7-T9 VanDerWaalsContact C-N 3.26Å; K7-T9 PolarHBondContact O-N 3.28Å; K7-T9 PolarHBondContact O-OG1 3.49Å; T9-S11 PolarHBondContact O-N 3.25Å | ||
| 10 | Q | 56.5 | Low | 62.4 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | trans | -52.3 | 115 | 164.8 | -82.8 | -166.9 | -8.3 | 0 | 0 | 104.8 | E8 L12 | E8-Q10 PolarHBondContact O-N 3.18Å; Q10-L12 PolarHBondContact O-N 2.73Å | ||
| 11 | S | 63 | Low | 63.8 | Low | 70 Ų | 70 | 103.3 Ų | 103.3 | 49% | 0.49 | 56% | 0.563 | S | S | . | * | trans | -54.9 | 120.2 | -178.8 | 56.1 | 0 | 0 | 0 | 0 | 107.1 | T9 F13 | T9-S11 PolarHBondContact O-N 3.25Å; S11-F13 PolarHBondContact O-N 3.5Å | ||
| 12 | L | 66.2 | Low | 66.4 | Low | 69 Ų | 69 | 96.5 Ų | 96.5 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -54 | -25.1 | -177 | -150.1 | 124.2 | 0 | 0 | 0 | 111.8 | Q10 L169 | Q10-L12 PolarHBondContact O-N 2.73Å; L12-L169 HydrophobicContact CD2-CB 4.15Å; L12-L169 HydrophobicContact CD2-CD2 4.42Å; L12-L169 HydrophobicContact CG-CB 4.37Å; L12-L169 WeakPolarHBondContact O-CD2 3.42Å |
| 13 | F | 74.8 | Confident | 69.1 | Low | 119 Ų | 119 | 91.6 Ų | 91.6 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -121.4 | 101.4 | 174 | -61 | -80.2 | 0 | 0 | 0 | 109.9 | S11 T17 V18 L21 | S11-F13 PolarHBondContact O-N 3.5Å; F13-T17 HydrophobicContact CD1-CG2 3.97Å; F13-V18 HydrophobicContact CB-CG2 4.38Å; F13-L21 HydrophobicContact CE1-CD1 4.46Å |
| 14 | T | 85.3 | Confident | 71.5 | Confident | 31 Ų | 31 | 87 Ų | 87 | 19% | 0.19 | 47% | 0.472 | C | S | . | . | trans | -80.7 | 162.6 | 164.5 | 70.6 | 0 | 0 | 0 | 0 | 109.5 | V16 T17 V18 | T14-V16 PolarHBondContact O-N 3Å; T14-V16 PolarHBondContact OG1-N 3.24Å; T14-T17 PolarHBondContact N-OG1 3.3Å; T14-T17 VanDerWaalsContact O-CB 3.29Å; T14-T17 WeakPolarHBondContact O-CB 3.39Å; T14-T17 PolarHBondContact O-N 3.05Å; T14-T17 VanDerWaalsContact O-N 3.12Å; T14-T17 PolarHBondContact OG1-N 3.44Å; T14-T17 VanDerWaalsContact OG1-N 3.09Å; T14-T17 PolarHBondContact OG1-OG1 3.12Å; T14-V18 PolarHBondContact O-N 3.16Å; T14-V18 VanDerWaalsContact O-N 3.07Å | ||
| 15 | P | 87.6 | Confident | 74 | Confident | 91 Ų | 91 | 84.6 Ų | 84.6 | 59% | 0.591 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -53.5 | -39.2 | 171.1 | -27.4 | 35.8 | 0 | 0 | 0 | 112.4 | V18 Y19 | P15-V18 PolarHBondContact O-N 3.15Å; P15-Y19 HydrophobicContact CB-CD2 4.46Å; P15-Y19 HydrophobicContact CB-CE2 4.08Å; P15-Y19 WeakPolarHBondContact O-CD2 3.45Å; P15-Y19 PolarHBondContact O-N 3.45Å |
| 16 | V | 87.7 | Confident | 76.5 | Confident | 45 Ų | 45 | 85.2 Ų | 85.2 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 177 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | T14 V18 Y19 S20 E89 | T14-V16 PolarHBondContact O-N 3Å; T14-V16 PolarHBondContact OG1-N 3.24Å; V16-V18 VanDerWaalsContact C-N 3.28Å; V16-V18 PolarHBondContact O-N 3.19Å; V16-Y19 PolarHBondContact O-N 3.18Å; V16-Y19 VanDerWaalsContact O-N 3.14Å; V16-S20 WeakPolarHBondContact O-CB 3.44Å; V16-S20 PolarHBondContact O-N 3.48Å; V16-S20 PolarHBondContact O-OG 3.47Å; V16-E89 HydrophobicContact CG1-CB 3.8Å; V16-E89 HydrophobicContact CG1-CG 4.22Å |
| 17 | T | 87.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.012 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -52 | -46.6 | 173.5 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | F13 T14 S20 L21 E89 L169 Y174 | F13-T17 HydrophobicContact CD1-CG2 3.97Å; T14-T17 PolarHBondContact N-OG1 3.3Å; T14-T17 VanDerWaalsContact O-CB 3.29Å; T14-T17 WeakPolarHBondContact O-CB 3.39Å; T14-T17 PolarHBondContact O-N 3.05Å; T14-T17 VanDerWaalsContact O-N 3.12Å; T14-T17 PolarHBondContact OG1-N 3.44Å; T14-T17 VanDerWaalsContact OG1-N 3.09Å; T14-T17 PolarHBondContact OG1-OG1 3.12Å; T17-S20 PolarHBondContact O-N 3.31Å; T17-L21 HydrophobicContact CG2-CD1 4.32Å; T17-L21 WeakPolarHBondContact O-CG 3.4Å; T17-L21 PolarHBondContact O-N 2.94Å; T17-E89 WeakPolarHBondContact CB-OE1 3.46Å; T17-E89 PolarHBondContact OG1-OE1 3.15Å; T17-L169 HydrophobicContact CG2-CD2 3.94Å; T17-Y174 WeakPolarHBondContact CG2-OH 3.35Å |
| 18 | V | 89.5 | Confident | 82.1 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 111 | F13 T14 P15 V16 S20 L21 L22 | F13-V18 HydrophobicContact CB-CG2 4.38Å; T14-V18 PolarHBondContact O-N 3.16Å; T14-V18 VanDerWaalsContact O-N 3.07Å; P15-V18 PolarHBondContact O-N 3.15Å; V16-V18 VanDerWaalsContact C-N 3.28Å; V16-V18 PolarHBondContact O-N 3.19Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 3.35Å; V18-L21 PolarHBondContact O-N 3.25Å; V18-L22 HydrophobicContact CG1-CD1 3.89Å; V18-L22 HydrophobicContact CG1-CG 4.37Å; V18-L22 WeakPolarHBondContact O-CB 3.44Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.43Å; V18-L22 PolarHBondContact O-N 3.32Å |
| 19 | Y | 90.5 | Very high | 84.7 | Confident | 163 Ų | 163 | 69 Ų | 69 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 177.8 | -65.9 | -50.3 | 0 | 0 | 0 | 112.6 | P15 V16 L22 A23 | P15-Y19 HydrophobicContact CB-CD2 4.46Å; P15-Y19 HydrophobicContact CB-CE2 4.08Å; P15-Y19 WeakPolarHBondContact O-CD2 3.45Å; P15-Y19 PolarHBondContact O-N 3.45Å; V16-Y19 PolarHBondContact O-N 3.18Å; V16-Y19 VanDerWaalsContact O-N 3.14Å; Y19-L22 PolarHBondContact O-N 3.18Å; Y19-A23 WeakPolarHBondContact O-CB 3.32Å; Y19-A23 PolarHBondContact O-N 3.42Å |
| 20 | S | 89.9 | Confident | 87.3 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | V16 T17 V18 L22 A23 C24 L86 | V16-S20 WeakPolarHBondContact O-CB 3.44Å; V16-S20 PolarHBondContact O-N 3.48Å; V16-S20 PolarHBondContact O-OG 3.47Å; T17-S20 PolarHBondContact O-N 3.31Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 3.35Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 3.34Å; S20-A23 WeakPolarHBondContact O-CB 3.43Å; S20-A23 PolarHBondContact O-N 3.36Å; S20-C24 PolarHBondContact O-N 3.15Å; S20-C24 PolarHBondContact O-SG 3.37Å; S20-C24 VanDerWaalsContact O-SG 3.38Å; S20-L86 WeakPolarHBondContact OG-CD2 3.34Å |
| 21 | L | 90.5 | Very high | 89.3 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 28% | 0.277 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 177.9 | -66.7 | 174.4 | 0 | 0 | 0 | 112.1 | F13 T17 V18 A23 C24 A25 F178 | F13-L21 HydrophobicContact CE1-CD1 4.46Å; T17-L21 HydrophobicContact CG2-CD1 4.32Å; T17-L21 WeakPolarHBondContact O-CG 3.4Å; T17-L21 PolarHBondContact O-N 2.94Å; V18-L21 PolarHBondContact O-N 3.25Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-C24 PolarHBondContact O-N 3.22Å; L21-A25 WeakPolarHBondContact O-CB 3.26Å; L21-A25 PolarHBondContact O-N 2.92Å; L21-F178 HydrophobicContact CD2-CE2 4.08Å; L21-F178 HydrophobicContact CD2-CZ 4.05Å |
| 22 | L | 93.4 | Very high | 90.9 | Very high | 96 Ų | 96 | 61.3 Ų | 61.3 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 174.1 | -73.9 | 173.8 | 0 | 0 | 0 | 112.1 | V18 Y19 S20 A25 T26 | V18-L22 HydrophobicContact CG1-CD1 3.89Å; V18-L22 HydrophobicContact CG1-CG 4.37Å; V18-L22 WeakPolarHBondContact O-CB 3.44Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.43Å; V18-L22 PolarHBondContact O-N 3.32Å; Y19-L22 PolarHBondContact O-N 3.18Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 3.34Å; L22-A25 PolarHBondContact O-N 2.93Å; L22-T26 VanDerWaalsContact O-CB 3.3Å; L22-T26 WeakPolarHBondContact O-CB 3.49Å; L22-T26 PolarHBondContact O-N 3.13Å; L22-T26 PolarHBondContact O-OG1 3.06Å |
| 23 | A | 93.2 | Very high | 92.5 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 26% | 0.256 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y19 S20 L21 A25 T26 Q27 | Y19-A23 WeakPolarHBondContact O-CB 3.32Å; Y19-A23 PolarHBondContact O-N 3.42Å; S20-A23 WeakPolarHBondContact O-CB 3.43Å; S20-A23 PolarHBondContact O-N 3.36Å; L21-A23 VanDerWaalsContact C-N 3.34Å; A23-A25 PolarHBondContact O-N 3.29Å; A23-T26 WeakPolarHBondContact O-CB 3.49Å; A23-T26 PolarHBondContact O-N 2.98Å; A23-T26 VanDerWaalsContact O-N 3.15Å; A23-Q27 VanDerWaalsContact O-CG 3.32Å; A23-Q27 WeakPolarHBondContact O-CG 3.4Å; A23-Q27 PolarHBondContact O-N 3.17Å |
| 24 | C | 93.8 | Very high | 93.6 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 175.1 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | S20 L21 T26 Q27 F28 F178 | S20-C24 PolarHBondContact O-N 3.15Å; S20-C24 PolarHBondContact O-SG 3.37Å; S20-C24 VanDerWaalsContact O-SG 3.38Å; L21-C24 PolarHBondContact O-N 3.22Å; C24-T26 VanDerWaalsContact C-N 3.3Å; C24-T26 PolarHBondContact O-N 2.82Å; C24-Q27 PolarHBondContact O-N 3.08Å; C24-F28 PolarHBondContact O-N 3.48Å; C24-F178 HydrophobicContact CB-CE1 4.07Å; C24-F178 HydrophobicContact CB-CZ 4.19Å |
| 25 | A | 95.5 | Very high | 94.2 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 44% | 0.438 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L21 L22 A23 F28 V29 | L21-A25 WeakPolarHBondContact O-CB 3.26Å; L21-A25 PolarHBondContact O-N 2.92Å; L22-A25 PolarHBondContact O-N 2.93Å; A23-A25 PolarHBondContact O-N 3.29Å; A25-F28 PolarHBondContact O-N 3.33Å; A25-V29 WeakPolarHBondContact O-CG2 3.11Å; A25-V29 PolarHBondContact O-N 3.28Å |
| 26 | T | 96.8 | Very high | 94.6 | Very high | 83 Ų | 83 | 55 Ų | 55 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 111 | L22 A23 C24 F28 V29 V30 | L22-T26 VanDerWaalsContact O-CB 3.3Å; L22-T26 WeakPolarHBondContact O-CB 3.49Å; L22-T26 PolarHBondContact O-N 3.13Å; L22-T26 PolarHBondContact O-OG1 3.06Å; A23-T26 WeakPolarHBondContact O-CB 3.49Å; A23-T26 PolarHBondContact O-N 2.98Å; A23-T26 VanDerWaalsContact O-N 3.15Å; C24-T26 VanDerWaalsContact C-N 3.3Å; C24-T26 PolarHBondContact O-N 2.82Å; T26-F28 VanDerWaalsContact C-N 3.29Å; T26-F28 PolarHBondContact O-N 3.03Å; T26-V29 PolarHBondContact O-N 3.32Å; T26-V30 HydrophobicContact CG2-CG2 4.48Å; T26-V30 WeakPolarHBondContact O-CG2 3.2Å; T26-V30 PolarHBondContact O-N 2.93Å |
| 27 | Q | 97.4 | Very high | 95.1 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.9 | -43.9 | 174.9 | -70 | 168.6 | -44.6 | 0 | 0 | 111.2 | A23 C24 V30 G31 Y55 I58 T62 | A23-Q27 VanDerWaalsContact O-CG 3.32Å; A23-Q27 WeakPolarHBondContact O-CG 3.4Å; A23-Q27 PolarHBondContact O-N 3.17Å; C24-Q27 PolarHBondContact O-N 3.08Å; Q27-V30 PolarHBondContact O-N 3.04Å; Q27-G31 PolarHBondContact O-N 3.18Å; Q27-Y55 HydrophobicContact CB-CD2 3.98Å; Q27-Y55 HydrophobicContact CB-CE2 3.74Å; Q27-I58 HydrophobicContact CB-CG2 3.87Å; Q27-I58 HydrophobicContact CG-CG2 3.68Å; Q27-T62 PolarHBondContact NE2-OG1 3.13Å |
| 28 | F | 97.4 | Very high | 95.6 | Very high | 94 Ų | 94 | 63.9 Ų | 63.9 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.5 | -179 | -94.6 | 0 | 0 | 0 | 112.3 | C24 A25 T26 V30 G31 Y32 V51 Y55 | C24-F28 PolarHBondContact O-N 3.48Å; A25-F28 PolarHBondContact O-N 3.33Å; T26-F28 VanDerWaalsContact C-N 3.29Å; T26-F28 PolarHBondContact O-N 3.03Å; F28-V30 VanDerWaalsContact C-N 3.33Å; F28-V30 PolarHBondContact O-N 3.28Å; F28-G31 PolarHBondContact O-N 3.49Å; F28-Y32 WeakPolarHBondContact O-CB 3.42Å; F28-Y32 PolarHBondContact O-N 2.69Å; F28-V51 HydrophobicContact CD2-CG1 4.49Å; F28-V51 HydrophobicContact CE2-CG1 3.79Å; F28-V51 HydrophobicContact CZ-CG1 3.97Å; F28-Y55 HydrophobicContact CB-CD2 4Å; F28-Y55 HydrophobicContact CB-CE2 4.03Å; F28-Y55 HydrophobicContact CD2-CD2 4.46Å; F28-Y55 HydrophobicContact CD2-CG 4.4Å |
| 29 | V | 98.3 | Very high | 95.9 | Very high | 79 Ų | 79 | 60.9 Ų | 60.9 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.6 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | A25 T26 Y32 I33 | A25-V29 WeakPolarHBondContact O-CG2 3.11Å; A25-V29 PolarHBondContact O-N 3.28Å; T26-V29 PolarHBondContact O-N 3.32Å; V29-Y32 WeakPolarHBondContact O-CB 3.46Å; V29-Y32 PolarHBondContact O-N 2.88Å; V29-I33 HydrophobicContact CG1-CD1 3.9Å; V29-I33 VanDerWaalsContact O-CG1 3.31Å; V29-I33 WeakPolarHBondContact O-CG1 3.37Å; V29-I33 PolarHBondContact O-N 3.34Å |
| 30 | V | 98.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 62 Ų | 62 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | T26 Q27 F28 Y32 I33 L34 I58 | T26-V30 HydrophobicContact CG2-CG2 4.48Å; T26-V30 WeakPolarHBondContact O-CG2 3.2Å; T26-V30 PolarHBondContact O-N 2.93Å; Q27-V30 PolarHBondContact O-N 3.04Å; F28-V30 VanDerWaalsContact C-N 3.33Å; F28-V30 PolarHBondContact O-N 3.28Å; V30-Y32 VanDerWaalsContact C-N 3.29Å; V30-Y32 PolarHBondContact O-N 2.86Å; V30-I33 PolarHBondContact O-N 2.94Å; V30-L34 HydrophobicContact CG1-CD1 4.09Å; V30-L34 HydrophobicContact CG1-CG 4.43Å; V30-L34 WeakPolarHBondContact O-CG 3.39Å; V30-L34 PolarHBondContact O-N 3.46Å; V30-I58 HydrophobicContact CB-CD1 4.07Å; V30-I58 HydrophobicContact CG1-CD1 3.66Å |
| 31 | G | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q27 F28 L34 A35 | Q27-G31 PolarHBondContact O-N 3.18Å; F28-G31 PolarHBondContact O-N 3.49Å; G31-L34 PolarHBondContact O-N 2.82Å; G31-A35 WeakPolarHBondContact O-CB 3.4Å; G31-A35 PolarHBondContact O-N 3.23Å |
| 32 | Y | 98.2 | Very high | 96.6 | Very high | 93 Ų | 93 | 69.9 Ų | 69.9 | 37% | 0.365 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.3 | 179.8 | -93.8 | 0 | 0 | 0 | 112.3 | F28 V29 V30 L34 A35 Q36 W48 V51 | F28-Y32 WeakPolarHBondContact O-CB 3.42Å; F28-Y32 PolarHBondContact O-N 2.69Å; V29-Y32 WeakPolarHBondContact O-CB 3.46Å; V29-Y32 PolarHBondContact O-N 2.88Å; V30-Y32 VanDerWaalsContact C-N 3.29Å; V30-Y32 PolarHBondContact O-N 2.86Å; Y32-L34 PolarHBondContact O-N 3.07Å; Y32-A35 WeakPolarHBondContact O-CB 3.3Å; Y32-A35 PolarHBondContact O-N 3.45Å; Y32-Q36 HydrophobicContact CD1-CG 4.08Å; Y32-Q36 HydrophobicContact CE1-CG 3.7Å; Y32-Q36 HydrophobicContact CE2-CG 4.49Å; Y32-Q36 VanDerWaalsContact CE2-NE2 3.34Å; Y32-Q36 VanDerWaalsContact O-CG 3.26Å; Y32-Q36 WeakPolarHBondContact O-CG 3.38Å; Y32-Q36 PolarHBondContact O-N 3.31Å; Y32-Q36 PolarHBondContact O-NE2 3.4Å; Y32-W48 HydrophobicContact CD2-CZ3 4.33Å; Y32-W48 HydrophobicContact CE2-CH2 4.1Å; Y32-W48 HydrophobicContact CE2-CZ3 4.21Å; Y32-V51 HydrophobicContact CD2-CG1 4.34Å; Y32-V51 HydrophobicContact CD2-CG2 3.79Å; Y32-V51 HydrophobicContact CE2-CG2 4.48Å |
| 33 | I | 98.4 | Very high | 96.7 | Very high | 88 Ų | 88 | 68 Ų | 68 | 45% | 0.451 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 177.9 | -70.1 | 166.6 | 0 | 0 | 0 | 110.5 | V29 V30 A35 Q36 I37 | V29-I33 HydrophobicContact CG1-CD1 3.9Å; V29-I33 VanDerWaalsContact O-CG1 3.31Å; V29-I33 WeakPolarHBondContact O-CG1 3.37Å; V29-I33 PolarHBondContact O-N 3.34Å; V30-I33 PolarHBondContact O-N 2.94Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 PolarHBondContact O-N 3.03Å; I33-Q36 PolarHBondContact O-N 2.88Å; I33-Q36 VanDerWaalsContact O-N 3.13Å; I33-I37 HydrophobicContact CG2-CD1 3.71Å; I33-I37 HydrophobicContact CG2-CG1 4.42Å; I33-I37 WeakPolarHBondContact O-CG1 3.46Å; I33-I37 PolarHBondContact O-N 3.12Å |
| 34 | L | 98.4 | Very high | 96.8 | Very high | 50 Ų | 50 | 68.7 Ų | 68.7 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 176.8 | -70.2 | 174.1 | 0 | 0 | 0 | 111.3 | V30 G31 Y32 Q36 I37 W38 F54 I58 | V30-L34 HydrophobicContact CG1-CD1 4.09Å; V30-L34 HydrophobicContact CG1-CG 4.43Å; V30-L34 WeakPolarHBondContact O-CG 3.39Å; V30-L34 PolarHBondContact O-N 3.46Å; G31-L34 PolarHBondContact O-N 2.82Å; Y32-L34 PolarHBondContact O-N 3.07Å; L34-Q36 VanDerWaalsContact C-N 3.29Å; L34-Q36 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 3.39Å; L34-I37 VanDerWaalsContact O-N 3.12Å; L34-W38 WeakPolarHBondContact O-CB 3.47Å; L34-W38 VanDerWaalsContact O-CD1 3.24Å; L34-W38 PolarHBondContact O-N 2.97Å; L34-F54 HydrophobicContact CB-CB 4.2Å; L34-F54 HydrophobicContact CB-CD1 3.93Å; L34-F54 HydrophobicContact CB-CD2 3.67Å; L34-F54 HydrophobicContact CB-CE1 4.16Å; L34-F54 HydrophobicContact CB-CE2 3.93Å; L34-F54 HydrophobicContact CB-CG 3.68Å; L34-F54 HydrophobicContact CB-CZ 4.15Å; L34-F54 HydrophobicContact CD1-CB 4.34Å; L34-F54 HydrophobicContact CD1-CD1 3.88Å; L34-F54 HydrophobicContact CD1-CE1 4.41Å; L34-F54 HydrophobicContact CD1-CG 4.19Å; L34-I58 HydrophobicContact CD1-CD1 4.12Å |
| 35 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G31 Y32 I33 G39 L50 V51 F54 | G31-A35 WeakPolarHBondContact O-CB 3.4Å; G31-A35 PolarHBondContact O-N 3.23Å; Y32-A35 WeakPolarHBondContact O-CB 3.3Å; Y32-A35 PolarHBondContact O-N 3.45Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 PolarHBondContact O-N 3.03Å; A35-G39 WeakPolarHBondContact O-CA 3.29Å; A35-G39 PolarHBondContact O-N 3.46Å; A35-L50 HydrophobicContact CB-CB 3.8Å; A35-V51 HydrophobicContact CB-CB 4.17Å; A35-V51 HydrophobicContact CB-CG2 3.52Å; A35-F54 HydrophobicContact CB-CD2 4.06Å |
| 36 | Q | 96.7 | Very high | 96.9 | Very high | 41 Ų | 41 | 70.2 Ų | 70.2 | 19% | 0.192 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.7 | -33.8 | 176.2 | -58.1 | -31.8 | -59.9 | 0 | 0 | 112.7 | Y32 I33 L34 R40 | Y32-Q36 HydrophobicContact CD1-CG 4.08Å; Y32-Q36 HydrophobicContact CE1-CG 3.7Å; Y32-Q36 HydrophobicContact CE2-CG 4.49Å; Y32-Q36 VanDerWaalsContact CE2-NE2 3.34Å; Y32-Q36 VanDerWaalsContact O-CG 3.26Å; Y32-Q36 WeakPolarHBondContact O-CG 3.38Å; Y32-Q36 PolarHBondContact O-N 3.31Å; Y32-Q36 PolarHBondContact O-NE2 3.4Å; I33-Q36 PolarHBondContact O-N 2.88Å; I33-Q36 VanDerWaalsContact O-N 3.13Å; L34-Q36 VanDerWaalsContact C-N 3.29Å; L34-Q36 PolarHBondContact O-N 3.45Å; Q36-R40 WeakPolarHBondContact O-CG 3.49Å |
| 37 | I | 97.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 70.4 Ų | 70.4 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.1 | -48.8 | 179 | -68.5 | 167.7 | 0 | 0 | 0 | 110.7 | I33 L34 R40 | I33-I37 HydrophobicContact CG2-CD1 3.71Å; I33-I37 HydrophobicContact CG2-CG1 4.42Å; I33-I37 WeakPolarHBondContact O-CG1 3.46Å; I33-I37 PolarHBondContact O-N 3.12Å; L34-I37 PolarHBondContact O-N 3.39Å; L34-I37 VanDerWaalsContact O-N 3.12Å; I37-R40 WeakPolarHBondContact O-CG 3.28Å |
| 38 | W | 97.1 | Very high | 96.9 | Very high | 150 Ų | 150 | 77.1 Ų | 77.1 | 57% | 0.568 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -87.9 | -27.3 | -172.2 | -69.1 | 81.5 | 0 | 0 | 0 | 112.8 | L34 F54 V127 | L34-W38 WeakPolarHBondContact O-CB 3.47Å; L34-W38 VanDerWaalsContact O-CD1 3.24Å; L34-W38 PolarHBondContact O-N 2.97Å; W38-F54 HydrophobicContact CB-CE2 4.08Å; W38-F54 HydrophobicContact CB-CZ 3.96Å; W38-F54 HydrophobicContact CG-CE2 4.43Å; W38-F54 AromaticContact CG-CZ 3.92Å; W38-F54 HydrophobicContact CG-CZ 3.92Å; W38-V127 HydrophobicContact CB-CG2 4.4Å |
| 39 | G | 96.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 12.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A35 K41 C42 R47 L50 | A35-G39 WeakPolarHBondContact O-CA 3.29Å; A35-G39 PolarHBondContact O-N 3.46Å; G39-K41 PolarHBondContact O-N 3.39Å; G39-C42 WeakPolarHBondContact O-CB 3.49Å; G39-C42 PolarHBondContact O-N 2.85Å; G39-R47 WeakPolarHBondContact O-CD 3.31Å; G39-R47 VanDerWaalsContact O-CG 3.3Å; G39-R47 WeakPolarHBondContact O-CG 3.35Å; G39-L50 VanDerWaalsContact CA-CD1 3.48Å |
| 40 | R | 94.9 | Very high | 96.9 | Very high | 186 Ų | 186 | 69.4 Ų | 69.4 | 70% | 0.702 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.3 | -175.2 | -69.9 | -179.7 | -177.7 | -175.9 | 2.4 | 114.4 | Q36 I37 | Q36-R40 WeakPolarHBondContact O-CG 3.49Å; I37-R40 WeakPolarHBondContact O-CG 3.28Å |
| 41 | K | 94.3 | Very high | 96.9 | Very high | 209 Ų | 209 | 66.5 Ų | 66.5 | 91% | 0.909 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.9 | -179.6 | -63 | -175.6 | 178.4 | -176.6 | 0 | 113.3 | G39 | G39-K41 PolarHBondContact O-N 3.39Š|
| 42 | C | 96.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 67.5 Ų | 67.5 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -84.2 | 159.6 | -177.8 | -61.2 | 0 | 0 | 0 | 0 | 111 | G39 D46 R47 L50 | G39-C42 WeakPolarHBondContact O-CB 3.49Å; G39-C42 PolarHBondContact O-N 2.85Å; C42-D46 HydrophobicContact CB-CB 3.96Å; C42-R47 HydrophobicContact CB-CG 4.16Å; C42-L50 HydrophobicContact CB-CD1 4.42Å |
| 43 | S | 95.3 | Very high | 97 | Very high | 57 Ų | 57 | 63 Ų | 63 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | trans | -63.4 | 159.6 | 173.9 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | D46 R47 | S43-D46 PolarHBondContact O-N 2.92Å; S43-D46 WeakPolarHBondContact OG-CB 3.45Å; S43-D46 PolarHBondContact OG-N 3.31Å; S43-D46 PolarHBondContact OG-OD2 2.97Å; S43-R47 WeakPolarHBondContact O-CG 3.5Å; S43-R47 PolarHBondContact O-N 3.41Å | ||
| 44 | G | 94.8 | Very high | 97 | Very high | 46 Ų | 46 | 59.7 Ų | 59.7 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -52.8 | -50.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | D46 R47 W48 | G44-D46 PolarHBondContact O-N 3.24Å; G44-R47 PolarHBondContact O-N 3.27Å; G44-W48 PolarHBondContact O-N 3.47Å |
| 45 | P | 95 | Very high | 97 | Very high | 84 Ų | 84 | 58.3 Ų | 58.3 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 174.2 | -26.7 | 36 | 0 | 0 | 0 | 113.1 | R47 W48 V49 | P45-R47 VanDerWaalsContact C-N 3.26Å; P45-R47 PolarHBondContact O-N 3.19Å; P45-W48 PolarHBondContact O-N 2.93Å; P45-W48 VanDerWaalsContact O-N 3.08Å; P45-V49 WeakPolarHBondContact O-CG2 3.33Å; P45-V49 PolarHBondContact O-N 3.27Å |
| 46 | D | 96.6 | Very high | 97 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.4 | -31.8 | 179.9 | -66.9 | -30.1 | 0 | 0 | 0 | 112.2 | C42 S43 G44 W48 V49 L50 I126 R133 | C42-D46 HydrophobicContact CB-CB 3.96Å; S43-D46 PolarHBondContact O-N 2.92Å; S43-D46 WeakPolarHBondContact OG-CB 3.45Å; S43-D46 PolarHBondContact OG-N 3.31Å; S43-D46 PolarHBondContact OG-OD2 2.97Å; G44-D46 PolarHBondContact O-N 3.24Å; D46-W48 VanDerWaalsContact C-N 3.32Å; D46-W48 PolarHBondContact O-N 3.36Å; D46-V49 PolarHBondContact O-N 2.88Å; D46-L50 VanDerWaalsContact O-CG 3.3Å; D46-L50 WeakPolarHBondContact O-CG 3.34Å; D46-L50 PolarHBondContact O-N 2.94Å; D46-I126 HydrophobicContact CB-CG2 3.95Å; D46-R133 IonicContact OD1-CZ 2.88Å; D46-R133 IonicContact OD1-NH1 3.5Å; D46-R133 PolarHBondContact OD1-NH1 2.86Å; D46-R133 IonicContact OD1-NH2 3.83Å; D46-R133 PolarHBondContact OD1-NH2 2.92Å; D46-R133 IonicContact OD2-NH1 2.69Å; D46-R133 PolarHBondContact OD2-NH1 2.96Å |
| 47 | R | 97 | Very high | 97 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 173.2 | -74.6 | 169.8 | 68.7 | 166 | -2.1 | 111.8 | G39 C42 S43 G44 P45 L50 V51 | G39-R47 WeakPolarHBondContact O-CD 3.31Å; G39-R47 VanDerWaalsContact O-CG 3.3Å; G39-R47 WeakPolarHBondContact O-CG 3.35Å; C42-R47 HydrophobicContact CB-CG 4.16Å; S43-R47 WeakPolarHBondContact O-CG 3.5Å; S43-R47 PolarHBondContact O-N 3.41Å; G44-R47 PolarHBondContact O-N 3.27Å; P45-R47 VanDerWaalsContact C-N 3.26Å; P45-R47 PolarHBondContact O-N 3.19Å; R47-L50 WeakPolarHBondContact O-CB 3.43Å; R47-L50 PolarHBondContact O-N 3.36Å; R47-V51 WeakPolarHBondContact O-CG2 3.5Å; R47-V51 PolarHBondContact O-N 3.21Å |
| 48 | W | 97.4 | Very high | 97.1 | Very high | 160 Ų | 160 | 54 Ų | 54 | 61% | 0.606 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -69.2 | -36.6 | 174.4 | -74.5 | 112.9 | 0 | 0 | 0 | 112.6 | Y32 G44 P45 D46 L50 V51 W52 | Y32-W48 HydrophobicContact CD2-CZ3 4.33Å; Y32-W48 HydrophobicContact CE2-CH2 4.1Å; Y32-W48 HydrophobicContact CE2-CZ3 4.21Å; G44-W48 PolarHBondContact O-N 3.47Å; P45-W48 PolarHBondContact O-N 2.93Å; P45-W48 VanDerWaalsContact O-N 3.08Å; D46-W48 VanDerWaalsContact C-N 3.32Å; D46-W48 PolarHBondContact O-N 3.36Å; W48-L50 VanDerWaalsContact C-N 3.29Å; W48-L50 PolarHBondContact O-N 3.31Å; W48-V51 HydrophobicContact CE3-CB 4.34Å; W48-V51 HydrophobicContact CE3-CG2 3.96Å; W48-V51 HydrophobicContact CZ3-CG2 4.33Å; W48-V51 WeakPolarHBondContact O-CB 3.36Å; W48-V51 PolarHBondContact O-N 2.9Å; W48-W52 PolarHBondContact O-N 2.81Å |
| 49 | V | 98.3 | Very high | 97.1 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 170.2 | -180 | 0 | 0 | 0 | 0 | 110.5 | P45 D46 V51 W52 L53 I126 L189 | P45-V49 WeakPolarHBondContact O-CG2 3.33Å; P45-V49 PolarHBondContact O-N 3.27Å; D46-V49 PolarHBondContact O-N 2.88Å; V49-V51 VanDerWaalsContact C-N 3.33Å; V49-V51 PolarHBondContact O-N 3.44Å; V49-W52 WeakPolarHBondContact O-CB 3.48Å; V49-W52 PolarHBondContact O-N 2.91Å; V49-L53 HydrophobicContact CG1-CD1 3.82Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 VanDerWaalsContact O-CG 3.3Å; V49-L53 WeakPolarHBondContact O-CG 3.33Å; V49-L53 PolarHBondContact O-N 3.12Å; V49-I126 HydrophobicContact CB-CD1 4.39Å; V49-I126 HydrophobicContact CG1-CD1 3.67Å; V49-L189 HydrophobicContact CB-CD2 4.26Å; V49-L189 HydrophobicContact CG1-CD1 4.45Å; V49-L189 HydrophobicContact CG1-CD2 3.76Å; V49-L189 HydrophobicContact CG2-CD2 3.58Å |
| 50 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -35.9 | 175.4 | -69.9 | 172.4 | 0 | 0 | 0 | 112.7 | A35 G39 C42 D46 R47 W48 W52 L53 F54 V123 I126 V127 | A35-L50 HydrophobicContact CB-CB 3.8Å; G39-L50 VanDerWaalsContact CA-CD1 3.48Å; C42-L50 HydrophobicContact CB-CD1 4.42Å; D46-L50 VanDerWaalsContact O-CG 3.3Å; D46-L50 WeakPolarHBondContact O-CG 3.34Å; D46-L50 PolarHBondContact O-N 2.94Å; R47-L50 WeakPolarHBondContact O-CB 3.43Å; R47-L50 PolarHBondContact O-N 3.36Å; W48-L50 VanDerWaalsContact C-N 3.29Å; W48-L50 PolarHBondContact O-N 3.31Å; L50-W52 VanDerWaalsContact C-N 3.32Å; L50-W52 PolarHBondContact O-N 2.93Å; L50-L53 PolarHBondContact O-N 3.45Å; L50-F54 HydrophobicContact CB-CD2 4.39Å; L50-F54 HydrophobicContact CB-CE2 4.41Å; L50-F54 WeakPolarHBondContact O-CB 3.47Å; L50-F54 WeakPolarHBondContact O-CD2 3.43Å; L50-F54 PolarHBondContact O-N 3.32Å; L50-V123 HydrophobicContact CD2-CB 4.16Å; L50-V123 HydrophobicContact CD2-CG1 4Å; L50-V123 HydrophobicContact CD2-CG2 4Å; L50-I126 HydrophobicContact CD1-CG2 4.21Å; L50-I126 HydrophobicContact CD2-CB 4.14Å; L50-I126 HydrophobicContact CD2-CD1 4.27Å; L50-I126 HydrophobicContact CD2-CG2 4.02Å; L50-I126 HydrophobicContact CG-CG2 4.06Å; L50-V127 HydrophobicContact CD1-CG2 4.03Å; L50-V127 HydrophobicContact CD2-CG2 4.14Å |
| 51 | V | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.9 | -48.8 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | F28 Y32 A35 R47 W48 V49 Y55 | F28-V51 HydrophobicContact CD2-CG1 4.49Å; F28-V51 HydrophobicContact CE2-CG1 3.79Å; F28-V51 HydrophobicContact CZ-CG1 3.97Å; Y32-V51 HydrophobicContact CD2-CG1 4.34Å; Y32-V51 HydrophobicContact CD2-CG2 3.79Å; Y32-V51 HydrophobicContact CE2-CG2 4.48Å; A35-V51 HydrophobicContact CB-CB 4.17Å; A35-V51 HydrophobicContact CB-CG2 3.52Å; R47-V51 WeakPolarHBondContact O-CG2 3.5Å; R47-V51 PolarHBondContact O-N 3.21Å; W48-V51 HydrophobicContact CE3-CB 4.34Å; W48-V51 HydrophobicContact CE3-CG2 3.96Å; W48-V51 HydrophobicContact CZ3-CG2 4.33Å; W48-V51 WeakPolarHBondContact O-CB 3.36Å; W48-V51 PolarHBondContact O-N 2.9Å; V49-V51 VanDerWaalsContact C-N 3.33Å; V49-V51 PolarHBondContact O-N 3.44Å; V51-Y55 WeakPolarHBondContact O-CB 3.16Å; V51-Y55 PolarHBondContact O-N 3.28Å |
| 52 | W | 98.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 8% | 0.076 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.4 | -55 | 176 | 172.1 | -108.8 | 0 | 0 | 0 | 111.5 | W48 V49 L50 F54 Y55 D56 V181 W182 V185 P186 | W48-W52 PolarHBondContact O-N 2.81Å; V49-W52 WeakPolarHBondContact O-CB 3.48Å; V49-W52 PolarHBondContact O-N 2.91Å; L50-W52 VanDerWaalsContact C-N 3.32Å; L50-W52 PolarHBondContact O-N 2.93Å; W52-F54 VanDerWaalsContact C-N 3.32Å; W52-F54 PolarHBondContact O-N 3.5Å; W52-Y55 HydrophobicContact CE3-CD1 4.23Å; W52-Y55 HydrophobicContact CZ3-CD1 4.03Å; W52-Y55 HydrophobicContact CZ3-CE1 4.36Å; W52-Y55 WeakPolarHBondContact O-CB 3.48Å; W52-Y55 PolarHBondContact O-N 2.96Å; W52-D56 VanDerWaalsContact O-CB 3.27Å; W52-D56 WeakPolarHBondContact O-CB 3.4Å; W52-D56 PolarHBondContact O-N 2.89Å; W52-V181 HydrophobicContact CE3-CG1 4.3Å; W52-V181 HydrophobicContact CH2-CG1 3.81Å; W52-V181 HydrophobicContact CZ3-CG1 3.38Å; W52-W182 AromaticContact CH2-CD2 3.47Å; W52-W182 HydrophobicContact CH2-CD2 3.47Å; W52-W182 VanDerWaalsContact CH2-CD2 3.47Å; W52-W182 AromaticContact CH2-CE2 3.53Å; W52-W182 AromaticContact CH2-CE3 3.76Å; W52-W182 HydrophobicContact CH2-CE3 3.76Å; W52-W182 AromaticContact CH2-CG 3.84Å; W52-W182 HydrophobicContact CH2-CG 3.84Å; W52-W182 HydrophobicContact CH2-CH2 4.23Å; W52-W182 AromaticContact CH2-CZ2 3.93Å; W52-W182 HydrophobicContact CH2-CZ2 3.93Å; W52-W182 HydrophobicContact CH2-CZ3 4.14Å; W52-W182 AromaticContact CH2-NE1 3.85Å; W52-W182 AromaticContact CZ2-CD1 3.92Å; W52-W182 HydrophobicContact CZ2-CD2 4.13Å; W52-W182 AromaticContact CZ2-CE2 3.99Å; W52-W182 HydrophobicContact CZ2-CG 4.11Å; W52-W182 AromaticContact CZ2-NE1 3.82Å; W52-W182 HydrophobicContact CZ3-CD2 4.45Å; W52-W182 HydrophobicContact CZ3-CE3 4.38Å; W52-W182 HydrophobicContact CZ3-CH2 4.43Å; W52-W182 HydrophobicContact CZ3-CZ2 4.45Å; W52-W182 HydrophobicContact CZ3-CZ3 4.38Å; W52-V185 HydrophobicContact CB-CG1 4.11Å; W52-V185 HydrophobicContact CD2-CB 3.97Å; W52-V185 HydrophobicContact CD2-CG1 3.44Å; W52-V185 VanDerWaalsContact CD2-CG1 3.44Å; W52-V185 HydrophobicContact CD2-CG2 4.33Å; W52-V185 HydrophobicContact CE3-CB 4.22Å; W52-V185 HydrophobicContact CE3-CG1 4.07Å; W52-V185 HydrophobicContact CE3-CG2 4.12Å; W52-V185 HydrophobicContact CG-CB 4.46Å; W52-V185 HydrophobicContact CG-CG1 3.44Å; W52-V185 VanDerWaalsContact CG-CG1 3.44Å; W52-V185 HydrophobicContact CH2-CB 4.39Å; W52-V185 HydrophobicContact CZ2-CB 4.16Å; W52-V185 HydrophobicContact CZ2-CG1 4.34Å; W52-V185 HydrophobicContact CZ3-CB 4.45Å; W52-V185 HydrophobicContact CZ3-CG2 4.3Å; W52-P186 HydrophobicContact CZ2-CG 4.37Å |
| 53 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -33.4 | -173.6 | -63.4 | 171 | 0 | 0 | 0 | 113.8 | V49 L50 A57 L122 V123 I126 L140 | V49-L53 HydrophobicContact CG1-CD1 3.82Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 VanDerWaalsContact O-CG 3.3Å; V49-L53 WeakPolarHBondContact O-CG 3.33Å; V49-L53 PolarHBondContact O-N 3.12Å; L50-L53 PolarHBondContact O-N 3.45Å; L53-A57 VanDerWaalsContact O-CB 3.3Å; L53-A57 WeakPolarHBondContact O-CB 3.3Å; L53-A57 PolarHBondContact O-N 3.49Å; L53-L122 HydrophobicContact CD1-CB 4.1Å; L53-L122 HydrophobicContact CD1-CD2 3.73Å; L53-L122 HydrophobicContact CD1-CG 3.58Å; L53-L122 HydrophobicContact CD2-CD2 3.7Å; L53-L122 HydrophobicContact CD2-CG 4.37Å; L53-L122 HydrophobicContact CG-CD2 4.36Å; L53-V123 HydrophobicContact CB-CG2 3.55Å; L53-V123 HydrophobicContact CD1-CG2 4.06Å; L53-V123 HydrophobicContact CG-CG2 4.48Å; L53-I126 HydrophobicContact CD1-CD1 3.57Å; L53-L140 HydrophobicContact CD2-CD2 3.62Å |
| 54 | F | 98.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.6 | -39.9 | 172.6 | -78.8 | -60.1 | 0 | 0 | 0 | 111.7 | L34 A35 W38 L50 W52 I58 V123 | L34-F54 HydrophobicContact CB-CB 4.2Å; L34-F54 HydrophobicContact CB-CD1 3.93Å; L34-F54 HydrophobicContact CB-CD2 3.67Å; L34-F54 HydrophobicContact CB-CE1 4.16Å; L34-F54 HydrophobicContact CB-CE2 3.93Å; L34-F54 HydrophobicContact CB-CG 3.68Å; L34-F54 HydrophobicContact CB-CZ 4.15Å; L34-F54 HydrophobicContact CD1-CB 4.34Å; L34-F54 HydrophobicContact CD1-CD1 3.88Å; L34-F54 HydrophobicContact CD1-CE1 4.41Å; L34-F54 HydrophobicContact CD1-CG 4.19Å; A35-F54 HydrophobicContact CB-CD2 4.06Å; W38-F54 HydrophobicContact CB-CE2 4.08Å; W38-F54 HydrophobicContact CB-CZ 3.96Å; W38-F54 HydrophobicContact CG-CE2 4.43Å; W38-F54 AromaticContact CG-CZ 3.92Å; W38-F54 HydrophobicContact CG-CZ 3.92Å; L50-F54 HydrophobicContact CB-CD2 4.39Å; L50-F54 HydrophobicContact CB-CE2 4.41Å; L50-F54 WeakPolarHBondContact O-CB 3.47Å; L50-F54 WeakPolarHBondContact O-CD2 3.43Å; L50-F54 PolarHBondContact O-N 3.32Å; W52-F54 VanDerWaalsContact C-N 3.32Å; W52-F54 PolarHBondContact O-N 3.5Å; F54-I58 WeakPolarHBondContact O-CB 3.42Å; F54-I58 VanDerWaalsContact O-CD1 3.27Å; F54-I58 WeakPolarHBondContact O-CD1 3.44Å; F54-I58 WeakPolarHBondContact O-CG1 3.44Å; F54-I58 PolarHBondContact O-N 3.4Å; F54-V123 HydrophobicContact CD1-CG2 4.46Å; F54-V123 HydrophobicContact CE1-CG1 3.87Å; F54-V123 HydrophobicContact CE1-CG2 4.32Å; F54-V123 HydrophobicContact CE2-CG1 4.06Å; F54-V123 HydrophobicContact CZ-CG1 3.47Å; F54-V123 VanDerWaalsContact CZ-CG1 3.47Å; F54-V123 HydrophobicContact CZ-CG2 4.36Å |
| 55 | Y | 98.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | 175.2 | 175.2 | -113.1 | 0 | 0 | 0 | 111.4 | Q27 F28 V51 W52 I58 V59 W182 | Q27-Y55 HydrophobicContact CB-CD2 3.98Å; Q27-Y55 HydrophobicContact CB-CE2 3.74Å; F28-Y55 HydrophobicContact CB-CD2 4Å; F28-Y55 HydrophobicContact CB-CE2 4.03Å; F28-Y55 HydrophobicContact CD2-CD2 4.46Å; F28-Y55 HydrophobicContact CD2-CG 4.4Å; V51-Y55 WeakPolarHBondContact O-CB 3.16Å; V51-Y55 PolarHBondContact O-N 3.28Å; W52-Y55 HydrophobicContact CE3-CD1 4.23Å; W52-Y55 HydrophobicContact CZ3-CD1 4.03Å; W52-Y55 HydrophobicContact CZ3-CE1 4.36Å; W52-Y55 WeakPolarHBondContact O-CB 3.48Å; W52-Y55 PolarHBondContact O-N 2.96Å; Y55-I58 WeakPolarHBondContact O-CB 3.29Å; Y55-I58 PolarHBondContact O-N 3.04Å; Y55-I58 VanDerWaalsContact O-N 3.16Å; Y55-V59 HydrophobicContact CD2-CG2 4.34Å; Y55-V59 HydrophobicContact CE1-CG2 4.25Å; Y55-V59 HydrophobicContact CE2-CG2 3.94Å; Y55-V59 WeakPolarHBondContact O-CG2 3.3Å; Y55-V59 PolarHBondContact O-N 3.42Å; Y55-W182 HydrophobicContact CD1-CH2 4.09Å; Y55-W182 AromaticContact CE1-CH2 3.38Å; Y55-W182 HydrophobicContact CE1-CH2 3.38Å; Y55-W182 HydrophobicContact CE1-CZ2 4.28Å; Y55-W182 AromaticContact CE1-CZ3 3.9Å; Y55-W182 HydrophobicContact CE1-CZ3 3.9Å |
| 56 | D | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56 | -53.5 | 176 | -176 | 54.4 | 0 | 0 | 0 | 111.8 | W52 I58 V59 H60 W182 | W52-D56 VanDerWaalsContact O-CB 3.27Å; W52-D56 WeakPolarHBondContact O-CB 3.4Å; W52-D56 PolarHBondContact O-N 2.89Å; D56-I58 VanDerWaalsContact C-N 3.29Å; D56-I58 PolarHBondContact O-N 3.27Å; D56-V59 PolarHBondContact O-N 2.99Å; D56-H60 PolarHBondContact O-CD2 2.95Å; D56-H60 VanDerWaalsContact O-CD2 3.24Å; D56-H60 PolarHBondContact O-N 3.44Å; D56-H60 IonicContact OD1-CD2 3.91Å; D56-H60 IonicContact OD1-CE1 3.44Å; D56-H60 IonicContact OD1-NE2 2.67Å; D56-H60 PolarHBondContact OD1-NE2 3.19Å; D56-H60 IonicContact OD2-CD2 3.84Å; D56-H60 IonicContact OD2-NE2 3.24Å; D56-H60 PolarHBondContact OD2-NE2 3.4Å; D56-W182 PolarHBondContact OD1-NE1 2.96Å |
| 57 | A | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -36.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L53 I61 A119 L120 | L53-A57 VanDerWaalsContact O-CB 3.3Å; L53-A57 WeakPolarHBondContact O-CB 3.3Å; L53-A57 PolarHBondContact O-N 3.49Å; A57-I61 WeakPolarHBondContact O-CB 3.3Å; A57-I61 WeakPolarHBondContact O-CD1 3.49Å; A57-I61 VanDerWaalsContact O-CG1 3.22Å; A57-I61 WeakPolarHBondContact O-CG1 3.45Å; A57-I61 PolarHBondContact O-N 3.34Å; A57-I61 VanDerWaalsContact O-N 3.12Å; A57-A119 HydrophobicContact CB-CB 4.24Å; A57-L120 HydrophobicContact CB-CD2 3.88Å; A57-L120 HydrophobicContact CB-CG 4.25Å |
| 58 | I | 97.9 | Very high | 97.5 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 14% | 0.144 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 175.7 | -72.4 | 162.5 | 0 | 0 | 0 | 110.6 | Q27 V30 L34 F54 Y55 D56 I61 T62 | Q27-I58 HydrophobicContact CB-CG2 3.87Å; Q27-I58 HydrophobicContact CG-CG2 3.68Å; V30-I58 HydrophobicContact CB-CD1 4.07Å; V30-I58 HydrophobicContact CG1-CD1 3.66Å; L34-I58 HydrophobicContact CD1-CD1 4.12Å; F54-I58 WeakPolarHBondContact O-CB 3.42Å; F54-I58 VanDerWaalsContact O-CD1 3.27Å; F54-I58 WeakPolarHBondContact O-CD1 3.44Å; F54-I58 WeakPolarHBondContact O-CG1 3.44Å; F54-I58 PolarHBondContact O-N 3.4Å; Y55-I58 WeakPolarHBondContact O-CB 3.29Å; Y55-I58 PolarHBondContact O-N 3.04Å; Y55-I58 VanDerWaalsContact O-N 3.16Å; D56-I58 VanDerWaalsContact C-N 3.29Å; D56-I58 PolarHBondContact O-N 3.27Å; I58-I61 PolarHBondContact O-N 3.39Å; I58-T62 HydrophobicContact CG2-CG2 4.31Å; I58-T62 WeakPolarHBondContact O-CB 3.18Å; I58-T62 WeakPolarHBondContact O-CG2 3.42Å; I58-T62 PolarHBondContact O-N 2.9Å; I58-T62 PolarHBondContact O-OG1 2.86Å |
| 59 | V | 97 | Very high | 97.5 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 178.7 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | Y55 D56 I61 T62 L63 E64 W182 | Y55-V59 HydrophobicContact CD2-CG2 4.34Å; Y55-V59 HydrophobicContact CE1-CG2 4.25Å; Y55-V59 HydrophobicContact CE2-CG2 3.94Å; Y55-V59 WeakPolarHBondContact O-CG2 3.3Å; Y55-V59 PolarHBondContact O-N 3.42Å; D56-V59 PolarHBondContact O-N 2.99Å; V59-I61 VanDerWaalsContact C-N 3.28Å; V59-I61 PolarHBondContact O-N 3.25Å; V59-T62 PolarHBondContact O-N 2.79Å; V59-L63 HydrophobicContact CG1-CD1 4.36Å; V59-L63 PolarHBondContact O-N 3.23Å; V59-E64 HydrophobicContact CG1-CG 4.38Å; V59-E64 PolarHBondContact O-N 2.95Å; V59-W182 HydrophobicContact CB-CH2 4.42Å; V59-W182 HydrophobicContact CB-CZ2 4.22Å; V59-W182 HydrophobicContact CG1-CH2 4.23Å; V59-W182 HydrophobicContact CG1-CZ2 4.06Å; V59-W182 HydrophobicContact CG2-CH2 4.09Å; V59-W182 HydrophobicContact CG2-CZ2 4.35Å |
| 60 | H | 96.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -55 | -43 | 174.9 | -68.7 | -46.8 | 0 | 0 | 0 | 112.4 | D56 E64 G65 | D56-H60 PolarHBondContact O-CD2 2.95Å; D56-H60 VanDerWaalsContact O-CD2 3.24Å; D56-H60 PolarHBondContact O-N 3.44Å; D56-H60 IonicContact OD1-CD2 3.91Å; D56-H60 IonicContact OD1-CE1 3.44Å; D56-H60 IonicContact OD1-NE2 2.67Å; D56-H60 PolarHBondContact OD1-NE2 3.19Å; D56-H60 IonicContact OD2-CD2 3.84Å; D56-H60 IonicContact OD2-NE2 3.24Å; D56-H60 PolarHBondContact OD2-NE2 3.4Å; H60-E64 IonicContact CE1-OE1 3.44Å; H60-E64 IonicContact CE1-OE2 2.7Å; H60-E64 PolarHBondContact CE1-OE2 2.85Å; H60-E64 IonicContact CG-OE2 3.8Å; H60-E64 VanDerWaalsContact ND1-CD 3.33Å; H60-E64 IonicContact ND1-OE1 3.43Å; H60-E64 PolarHBondContact ND1-OE1 3.3Å; H60-E64 IonicContact ND1-OE2 3.85Å; H60-E64 PolarHBondContact ND1-OE2 3.44Å; H60-G65 PolarHBondContact O-N 3.41Å |
| 61 | I | 95.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 25.6 Ų | 25.6 | 57% | 0.569 | 13% | 0.13 | S | C | * | . | I | π-helix | trans | -77.6 | -39.7 | -176.9 | -67.7 | 167.1 | 0 | 0 | 0 | 112.5 | A57 I58 V59 P66 | A57-I61 WeakPolarHBondContact O-CB 3.3Å; A57-I61 WeakPolarHBondContact O-CD1 3.49Å; A57-I61 VanDerWaalsContact O-CG1 3.22Å; A57-I61 WeakPolarHBondContact O-CG1 3.45Å; A57-I61 PolarHBondContact O-N 3.34Å; A57-I61 VanDerWaalsContact O-N 3.12Å; I58-I61 PolarHBondContact O-N 3.39Å; V59-I61 VanDerWaalsContact C-N 3.28Å; V59-I61 PolarHBondContact O-N 3.25Å; I61-P66 WeakPolarHBondContact O-CD 3.47Å |
| 62 | T | 95.5 | Very high | 97.3 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 29% | 0.294 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -105.3 | -14.4 | -166.3 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | Q27 I58 V59 F83 | Q27-T62 PolarHBondContact NE2-OG1 3.13Å; I58-T62 HydrophobicContact CG2-CG2 4.31Å; I58-T62 WeakPolarHBondContact O-CB 3.18Å; I58-T62 WeakPolarHBondContact O-CG2 3.42Å; I58-T62 PolarHBondContact O-N 2.9Å; I58-T62 PolarHBondContact O-OG1 2.86Å; V59-T62 PolarHBondContact O-N 2.79Å; T62-F83 WeakPolarHBondContact O-CD1 3.37Å; T62-F83 WeakPolarHBondContact O-CE1 3.2Å |
| 63 | L | 95 | Very high | 97.2 | Very high | 27 Ų | 27 | 34.6 Ų | 34.6 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -117.2 | -60.7 | 174.5 | -63.8 | 178.3 | 0 | 0 | 0 | 111.2 | V59 P66 F67 L86 W87 | V59-L63 HydrophobicContact CG1-CD1 4.36Å; V59-L63 PolarHBondContact O-N 3.23Å; L63-P66 WeakPolarHBondContact O-CD 3.33Å; L63-F67 PolarHBondContact O-N 3.32Å; L63-F67 VanDerWaalsContact O-N 3.08Å; L63-L86 HydrophobicContact CD2-CD1 3.78Å; L63-W87 HydrophobicContact CB-CZ2 3.92Å; L63-W87 PolarHBondContact O-NE1 3.39Å |
| 64 | E | 96.7 | Very high | 97 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -69.1 | -40.8 | -173.7 | -59.9 | -179 | -161 | 0 | 0 | 111.7 | V59 H60 F67 V68 W87 E108 T111 V112 | V59-E64 HydrophobicContact CG1-CG 4.38Å; V59-E64 PolarHBondContact O-N 2.95Å; H60-E64 IonicContact CE1-OE1 3.44Å; H60-E64 IonicContact CE1-OE2 2.7Å; H60-E64 PolarHBondContact CE1-OE2 2.85Å; H60-E64 IonicContact CG-OE2 3.8Å; H60-E64 VanDerWaalsContact ND1-CD 3.33Å; H60-E64 IonicContact ND1-OE1 3.43Å; H60-E64 PolarHBondContact ND1-OE1 3.3Å; H60-E64 IonicContact ND1-OE2 3.85Å; H60-E64 PolarHBondContact ND1-OE2 3.44Å; E64-F67 WeakPolarHBondContact O-CA 3.41Å; E64-F67 WeakPolarHBondContact O-CB 3.44Å; E64-F67 PolarHBondContact O-N 2.92Å; E64-V68 WeakPolarHBondContact O-CG2 3.3Å; E64-V68 PolarHBondContact O-N 3.39Å; E64-W87 HydrophobicContact CG-CZ2 4.45Å; E64-E108 VanDerWaalsContact CB-OE2 3.25Å; E64-E108 WeakPolarHBondContact CB-OE2 3.27Å; E64-E108 WeakPolarHBondContact CG-OE2 3.32Å; E64-T111 WeakPolarHBondContact OE2-CB 3.5Å; E64-T111 PolarHBondContact OE2-OG1 3.13Å; E64-V112 VanDerWaalsContact C-CG2 3.45Å; E64-V112 HydrophobicContact CB-CG2 3.36Å |
| 65 | G | 97 | Very high | 96.9 | Very high | 17 Ų | 17 | 37 Ų | 37 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.8 | -52.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | H60 F67 V68 Y69 | H60-G65 PolarHBondContact O-N 3.41Å; G65-F67 VanDerWaalsContact C-N 3.33Å; G65-F67 PolarHBondContact O-N 2.83Å; G65-V68 PolarHBondContact O-N 2.89Å; G65-Y69 WeakPolarHBondContact O-CB 3.21Å; G65-Y69 PolarHBondContact O-N 3.11Å |
| 66 | P | 97.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 36 Ų | 36 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.6 | -39.8 | 170.8 | -29.8 | 36.7 | 0 | 0 | 0 | 114.1 | I61 L63 Y69 M70 F83 | I61-P66 WeakPolarHBondContact O-CD 3.47Å; L63-P66 WeakPolarHBondContact O-CD 3.33Å; P66-Y69 PolarHBondContact O-N 2.85Å; P66-M70 HydrophobicContact CB-CE 4.4Å; P66-M70 WeakPolarHBondContact O-CB 3.37Å; P66-M70 WeakPolarHBondContact O-CE 3.17Å; P66-M70 VanDerWaalsContact O-CG 3.29Å; P66-M70 WeakPolarHBondContact O-CG 3.12Å; P66-M70 PolarHBondContact O-N 2.95Å; P66-F83 HydrophobicContact CB-CB 3.79Å; P66-F83 HydrophobicContact CB-CD1 4.16Å; P66-F83 HydrophobicContact CB-CD2 4.21Å; P66-F83 HydrophobicContact CB-CG 3.8Å; P66-F83 HydrophobicContact CG-CB 4.5Å; P66-F83 HydrophobicContact CG-CD1 3.95Å; P66-F83 HydrophobicContact CG-CD2 4.32Å; P66-F83 HydrophobicContact CG-CE1 4.22Å; P66-F83 HydrophobicContact CG-CG 4.01Å |
| 67 | F | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 175.3 | 162.7 | -101.3 | 0 | 0 | 0 | 112 | L63 E64 G65 Y69 M70 S71 V76 W87 W97 I104 V105 E108 | L63-F67 PolarHBondContact O-N 3.32Å; L63-F67 VanDerWaalsContact O-N 3.08Å; E64-F67 WeakPolarHBondContact O-CA 3.41Å; E64-F67 WeakPolarHBondContact O-CB 3.44Å; E64-F67 PolarHBondContact O-N 2.92Å; G65-F67 VanDerWaalsContact C-N 3.33Å; G65-F67 PolarHBondContact O-N 2.83Å; F67-Y69 VanDerWaalsContact C-N 3.35Å; F67-Y69 PolarHBondContact O-N 3.3Å; F67-M70 PolarHBondContact O-N 3.09Å; F67-S71 WeakPolarHBondContact CE2-OG 3.22Å; F67-S71 VanDerWaalsContact O-CB 3.3Å; F67-S71 WeakPolarHBondContact O-CB 3.31Å; F67-S71 PolarHBondContact O-N 3.33Å; F67-S71 PolarHBondContact O-OG 3.45Å; F67-V76 HydrophobicContact CD2-CG2 3.73Å; F67-V76 HydrophobicContact CE2-CG2 4.14Å; F67-W87 HydrophobicContact CB-CD2 4.16Å; F67-W87 HydrophobicContact CB-CG 4.34Å; F67-W87 HydrophobicContact CB-CZ2 3.93Å; F67-W87 HydrophobicContact CD2-CD2 4.39Å; F67-W87 HydrophobicContact CG-CZ2 4.49Å; F67-W97 HydrophobicContact CD1-CE3 4.05Å; F67-W97 AromaticContact CD1-CZ3 3.89Å; F67-W97 HydrophobicContact CD1-CZ3 3.89Å; F67-W97 AromaticContact CD2-CE3 3.83Å; F67-W97 HydrophobicContact CD2-CE3 3.83Å; F67-W97 HydrophobicContact CD2-CZ3 4.44Å; F67-W97 AromaticContact CE1-CE3 3.95Å; F67-W97 HydrophobicContact CE1-CE3 3.95Å; F67-W97 AromaticContact CE1-CZ3 3.98Å; F67-W97 HydrophobicContact CE1-CZ3 3.98Å; F67-W97 HydrophobicContact CE2-CB 4.31Å; F67-W97 HydrophobicContact CE2-CD2 4.46Å; F67-W97 AromaticContact CE2-CE3 3.73Å; F67-W97 HydrophobicContact CE2-CE3 3.73Å; F67-W97 WeakPolarHBondContact CE2-O 3.38Å; F67-W97 HydrophobicContact CG-CE3 4Å; F67-W97 HydrophobicContact CG-CZ3 4.15Å; F67-W97 HydrophobicContact CZ-CD2 4.5Å; F67-W97 AromaticContact CZ-CE3 3.79Å; F67-W97 HydrophobicContact CZ-CE3 3.79Å; F67-W97 HydrophobicContact CZ-CZ3 4.29Å; F67-I104 HydrophobicContact CE1-CG2 3.95Å; F67-I104 HydrophobicContact CZ-CG2 3.76Å; F67-V105 HydrophobicContact CE1-CG2 4.2Å; F67-V105 HydrophobicContact CZ-CG2 3.89Å; F67-E108 HydrophobicContact CD1-CB 3.91Å; F67-E108 HydrophobicContact CD1-CG 3.85Å; F67-E108 HydrophobicContact CE1-CB 3.8Å; F67-E108 HydrophobicContact CE1-CG 3.61Å |
| 68 | V | 97.7 | Very high | 96.8 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 177.6 | 169.2 | 0 | 0 | 0 | 0 | 110 | E64 G65 M70 S71 L72 E108 L109 V112 | E64-V68 WeakPolarHBondContact O-CG2 3.3Å; E64-V68 PolarHBondContact O-N 3.39Å; G65-V68 PolarHBondContact O-N 2.89Å; V68-M70 PolarHBondContact O-N 3.22Å; V68-S71 PolarHBondContact O-N 3.24Å; V68-L72 HydrophobicContact CG1-CD1 3.92Å; V68-L72 HydrophobicContact CG1-CG 4.32Å; V68-L72 VanDerWaalsContact O-CG 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.48Å; V68-L72 PolarHBondContact O-N 3.37Å; V68-E108 HydrophobicContact CG2-CB 3.6Å; V68-L109 HydrophobicContact CG1-CD2 3.45Å; V68-L109 VanDerWaalsContact CG1-CD2 3.45Å; V68-L109 HydrophobicContact CG1-CG 3.84Å; V68-V112 HydrophobicContact CG2-CG2 3.99Å |
| 69 | Y | 97.4 | Very high | 96.7 | Very high | 155 Ų | 155 | 42.8 Ų | 42.8 | 61% | 0.608 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -56 | -52.4 | 178.1 | 173.6 | -101.2 | 0 | 0 | 0 | 111.6 | G65 P66 F67 S71 L72 V73 | G65-Y69 WeakPolarHBondContact O-CB 3.21Å; G65-Y69 PolarHBondContact O-N 3.11Å; P66-Y69 PolarHBondContact O-N 2.85Å; F67-Y69 VanDerWaalsContact C-N 3.35Å; F67-Y69 PolarHBondContact O-N 3.3Å; Y69-S71 VanDerWaalsContact C-N 3.28Å; Y69-S71 PolarHBondContact O-N 3.09Å; Y69-L72 PolarHBondContact O-N 3.18Å; Y69-V73 HydrophobicContact CD2-CG1 4.47Å; Y69-V73 HydrophobicContact CE1-CG2 4.15Å; Y69-V73 HydrophobicContact CE2-CG1 4.06Å; Y69-V73 WeakPolarHBondContact O-CG2 3.44Å; Y69-V73 PolarHBondContact O-N 2.9Å |
| 70 | M | 97.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 179.4 | -71.1 | -176.5 | -67.7 | 0 | 0 | 112.1 | P66 F67 V68 G74 T75 V76 N81 F83 A84 | P66-M70 HydrophobicContact CB-CE 4.4Å; P66-M70 WeakPolarHBondContact O-CB 3.37Å; P66-M70 WeakPolarHBondContact O-CE 3.17Å; P66-M70 VanDerWaalsContact O-CG 3.29Å; P66-M70 WeakPolarHBondContact O-CG 3.12Å; P66-M70 PolarHBondContact O-N 2.95Å; F67-M70 PolarHBondContact O-N 3.09Å; V68-M70 PolarHBondContact O-N 3.22Å; M70-G74 CarbonylContact O-C 3.04Å; M70-G74 WeakPolarHBondContact O-CA 3.28Å; M70-G74 PolarHBondContact O-N 3.47Å; M70-T75 PolarHBondContact O-N 3.3Å; M70-V76 HydrophobicContact CE-CG2 4.12Å; M70-N81 PolarHBondContact SD-ND2 3.28Å; M70-N81 VanDerWaalsContact SD-ND2 3.42Å; M70-F83 HydrophobicContact CE-CB 4.15Å; M70-A84 HydrophobicContact CE-CB 4.41Å; M70-A84 HydrophobicContact SD-CB 3.73Å |
| 71 | S | 97.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.6 | -24.6 | 179 | -66.8 | 0 | 0 | 0 | 0 | 114.2 | F67 V68 Y69 G74 S100 | F67-S71 WeakPolarHBondContact CE2-OG 3.22Å; F67-S71 VanDerWaalsContact O-CB 3.3Å; F67-S71 WeakPolarHBondContact O-CB 3.31Å; F67-S71 PolarHBondContact O-N 3.33Å; F67-S71 PolarHBondContact O-OG 3.45Å; V68-S71 PolarHBondContact O-N 3.24Å; Y69-S71 VanDerWaalsContact C-N 3.28Å; Y69-S71 PolarHBondContact O-N 3.09Å; S71-G74 CarbonylContact C-O 3.43Å; S71-S100 VanDerWaalsContact CA-OG 3.29Å; S71-S100 WeakPolarHBondContact CA-OG 3.3Å; S71-S100 WeakPolarHBondContact CB-OG 3.4Å; S71-S100 PolarHBondContact OG-OG 2.97Å |
| 72 | L | 96.7 | Very high | 96.2 | Very high | 111 Ų | 111 | 53 Ų | 53 | 58% | 0.581 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -84 | -27.6 | 176.6 | -70.1 | 178.1 | 0 | 0 | 0 | 113 | V68 Y69 L109 | V68-L72 HydrophobicContact CG1-CD1 3.92Å; V68-L72 HydrophobicContact CG1-CG 4.32Å; V68-L72 VanDerWaalsContact O-CG 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.48Å; V68-L72 PolarHBondContact O-N 3.37Å; Y69-L72 PolarHBondContact O-N 3.18Å; L72-L109 HydrophobicContact CD1-CD2 4.29Å |
| 73 | V | 96.1 | Very high | 96.1 | Very high | 100 Ų | 100 | 54.5 Ų | 54.5 | 61% | 0.606 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -105 | -1.5 | -178.3 | -52.6 | 0 | 0 | 0 | 0 | 113.3 | Y69 | Y69-V73 HydrophobicContact CD2-CG1 4.47Å; Y69-V73 HydrophobicContact CE1-CG2 4.15Å; Y69-V73 HydrophobicContact CE2-CG1 4.06Å; Y69-V73 WeakPolarHBondContact O-CG2 3.44Å; Y69-V73 PolarHBondContact O-N 2.9Å |
| 74 | G | 95.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 171.2 | -133.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | M70 S71 | M70-G74 CarbonylContact O-C 3.04Å; M70-G74 WeakPolarHBondContact O-CA 3.28Å; M70-G74 PolarHBondContact O-N 3.47Å; S71-G74 CarbonylContact C-O 3.43Å |
| 75 | T | 97.1 | Very high | 96 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | trans | -139.7 | 160.4 | 172.6 | 67.5 | 0 | 0 | 0 | 0 | 110.3 | M70 A77 T78 S79 L98 | M70-T75 PolarHBondContact O-N 3.3Å; T75-A77 VanDerWaalsContact C-N 3.28Å; T75-A77 PolarHBondContact O-N 3.46Å; T75-T78 PolarHBondContact O-N 3.12Å; T75-T78 PolarHBondContact O-OG1 3.18Å; T75-T78 PolarHBondContact OG1-N 3.07Å; T75-T78 PolarHBondContact OG1-OG1 3.09Å; T75-S79 PolarHBondContact O-N 3.02Å; T75-S79 PolarHBondContact O-OG 3.48Å; T75-L98 WeakPolarHBondContact CB-O 3.39Å | ||
| 76 | V | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -41.7 | 170.7 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | F67 M70 T78 S79 W87 K88 W97 L98 | F67-V76 HydrophobicContact CD2-CG2 3.73Å; F67-V76 HydrophobicContact CE2-CG2 4.14Å; M70-V76 HydrophobicContact CE-CG2 4.12Å; V76-T78 PolarHBondContact O-N 3.4Å; V76-S79 PolarHBondContact O-N 2.98Å; V76-S79 VanDerWaalsContact O-N 3.1Å; V76-W87 HydrophobicContact CB-CB 4.48Å; V76-W87 HydrophobicContact CG1-CB 3.56Å; V76-W87 HydrophobicContact CG2-CB 4.08Å; V76-K88 HydrophobicContact CG1-CG 3.98Å; V76-K88 VanDerWaalsContact O-CE 3.29Å; V76-K88 WeakPolarHBondContact O-CE 3.46Å; V76-W97 WeakPolarHBondContact CB-O 3.37Å; V76-W97 WeakPolarHBondContact CG2-O 3.37Å; V76-L98 HydrophobicContact CG1-CD2 4.17Å; V76-L98 PolarHBondContact N-O 3.12Å |
| 77 | A | 96.9 | Very high | 95.8 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -38.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T75 L98 | T75-A77 VanDerWaalsContact C-N 3.28Å; T75-A77 PolarHBondContact O-N 3.46Å; A77-L98 HydrophobicContact CB-CB 4.37Å; A77-L98 WeakPolarHBondContact CB-O 3.35Å; A77-L98 PolarHBondContact N-O 3.38Å |
| 78 | T | 96 | Very high | 95.7 | Very high | 113 Ų | 113 | 58.8 Ų | 58.8 | 69% | 0.693 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -5.2 | -178.6 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | T75 V76 | T75-T78 PolarHBondContact O-N 3.12Å; T75-T78 PolarHBondContact O-OG1 3.18Å; T75-T78 PolarHBondContact OG1-N 3.07Å; T75-T78 PolarHBondContact OG1-OG1 3.09Å; V76-T78 PolarHBondContact O-N 3.4Å |
| 79 | S | 95.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 58.4 Ų | 58.4 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | trans | -86.3 | 141.6 | -177 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | T75 V76 A84 K88 | T75-S79 PolarHBondContact O-N 3.02Å; T75-S79 PolarHBondContact O-OG 3.48Å; V76-S79 PolarHBondContact O-N 2.98Å; V76-S79 VanDerWaalsContact O-N 3.1Å; S79-A84 WeakPolarHBondContact O-CB 3.46Å; S79-K88 WeakPolarHBondContact O-CE 3.43Å; S79-K88 PolarHBondContact O-NZ 3.04Å | ||
| 80 | D | 93.8 | Very high | 95.5 | Very high | 150 Ų | 150 | 52.6 Ų | 52.6 | 80% | 0.802 | 29% | 0.292 | S | S | * | . | trans | -122.5 | 81.7 | 179.8 | -170.5 | 15.5 | 0 | 0 | 0 | 110.5 | ||||
| 81 | N | 92.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -156.8 | 168.8 | 176.1 | 67.6 | 72 | 0 | 0 | 0 | 110.4 | M70 F83 A84 E85 | M70-N81 PolarHBondContact SD-ND2 3.28Å; M70-N81 VanDerWaalsContact SD-ND2 3.42Å; N81-F83 VanDerWaalsContact C-N 3.31Å; N81-F83 PolarHBondContact O-N 3.07Å; N81-F83 WeakPolarHBondContact OD1-CA 3.38Å; N81-F83 WeakPolarHBondContact OD1-CB 3.18Å; N81-F83 PolarHBondContact OD1-N 3.29Å; N81-A84 WeakPolarHBondContact O-CB 3.38Å; N81-A84 PolarHBondContact O-N 3.2Å; N81-A84 VanDerWaalsContact O-N 3.09Å; N81-A84 PolarHBondContact OD1-N 2.72Å; N81-E85 PolarHBondContact O-N 3.11Å; N81-E85 VanDerWaalsContact O-N 3.07Å |
| 82 | I | 92.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 64% | 0.641 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.2 | -37.6 | -175.4 | -165.9 | 168.1 | 0 | 0 | 0 | 113.5 | E85 L86 | I82-E85 PolarHBondContact O-N 3.23Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.93Å |
| 83 | F | 93.9 | Very high | 95.3 | Very high | 80 Ų | 80 | 50.4 Ų | 50.4 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.6 | -36.1 | 178 | -57.1 | -75.1 | 0 | 0 | 0 | 111.4 | T62 P66 M70 N81 E85 L86 W87 | T62-F83 WeakPolarHBondContact O-CD1 3.37Å; T62-F83 WeakPolarHBondContact O-CE1 3.2Å; P66-F83 HydrophobicContact CB-CB 3.79Å; P66-F83 HydrophobicContact CB-CD1 4.16Å; P66-F83 HydrophobicContact CB-CD2 4.21Å; P66-F83 HydrophobicContact CB-CG 3.8Å; P66-F83 HydrophobicContact CG-CB 4.5Å; P66-F83 HydrophobicContact CG-CD1 3.95Å; P66-F83 HydrophobicContact CG-CD2 4.32Å; P66-F83 HydrophobicContact CG-CE1 4.22Å; P66-F83 HydrophobicContact CG-CG 4.01Å; M70-F83 HydrophobicContact CE-CB 4.15Å; N81-F83 VanDerWaalsContact C-N 3.31Å; N81-F83 PolarHBondContact O-N 3.07Å; N81-F83 WeakPolarHBondContact OD1-CA 3.38Å; N81-F83 WeakPolarHBondContact OD1-CB 3.18Å; N81-F83 PolarHBondContact OD1-N 3.29Å; F83-E85 VanDerWaalsContact C-N 3.31Å; F83-E85 PolarHBondContact O-N 3.24Å; F83-L86 PolarHBondContact O-N 3.06Å; F83-W87 VanDerWaalsContact O-CD1 3.27Å; F83-W87 PolarHBondContact O-N 3.44Å |
| 84 | A | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M70 S79 N81 L86 W87 K88 | M70-A84 HydrophobicContact CE-CB 4.41Å; M70-A84 HydrophobicContact SD-CB 3.73Å; S79-A84 WeakPolarHBondContact O-CB 3.46Å; N81-A84 WeakPolarHBondContact O-CB 3.38Å; N81-A84 PolarHBondContact O-N 3.2Å; N81-A84 VanDerWaalsContact O-N 3.09Å; N81-A84 PolarHBondContact OD1-N 2.72Å; A84-L86 PolarHBondContact O-N 3.12Å; A84-W87 PolarHBondContact O-N 2.94Å; A84-K88 WeakPolarHBondContact O-CB 3.29Å; A84-K88 WeakPolarHBondContact O-CG 3.28Å; A84-K88 PolarHBondContact O-N 3.38Å |
| 85 | E | 94.9 | Very high | 95.4 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 177.2 | -66.4 | -55.4 | 121.3 | 0 | 0 | 112.9 | N81 I82 F83 K88 E89 | N81-E85 PolarHBondContact O-N 3.11Å; N81-E85 VanDerWaalsContact O-N 3.07Å; I82-E85 PolarHBondContact O-N 3.23Å; F83-E85 VanDerWaalsContact C-N 3.31Å; F83-E85 PolarHBondContact O-N 3.24Å; E85-K88 PolarHBondContact O-N 3.38Å; E85-K88 WeakPolarHBondContact OE1-CD 3.41Å; E85-K88 IonicContact OE1-NZ 2.75Å; E85-K88 PolarHBondContact OE1-NZ 3.43Å; E85-E89 PolarHBondContact O-N 3.19Å |
| 86 | L | 94.2 | Very high | 95.4 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 174 | -64.4 | 176.6 | 0 | 0 | 0 | 111.5 | S20 L63 I82 F83 A84 E89 Y90 | S20-L86 WeakPolarHBondContact OG-CD2 3.34Å; L63-L86 HydrophobicContact CD2-CD1 3.78Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.93Å; F83-L86 PolarHBondContact O-N 3.06Å; A84-L86 PolarHBondContact O-N 3.12Å; L86-E89 WeakPolarHBondContact O-CB 3.32Å; L86-E89 PolarHBondContact O-N 3.14Å; L86-Y90 PolarHBondContact O-N 3.25Å |
| 87 | W | 96.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.9 | -27.6 | 178.2 | -75.7 | 113.8 | 0 | 0 | 0 | 113.2 | L63 E64 F67 V76 F83 A84 E89 Y90 G91 W97 | L63-W87 HydrophobicContact CB-CZ2 3.92Å; L63-W87 PolarHBondContact O-NE1 3.39Å; E64-W87 HydrophobicContact CG-CZ2 4.45Å; F67-W87 HydrophobicContact CB-CD2 4.16Å; F67-W87 HydrophobicContact CB-CG 4.34Å; F67-W87 HydrophobicContact CB-CZ2 3.93Å; F67-W87 HydrophobicContact CD2-CD2 4.39Å; F67-W87 HydrophobicContact CG-CZ2 4.49Å; V76-W87 HydrophobicContact CB-CB 4.48Å; V76-W87 HydrophobicContact CG1-CB 3.56Å; V76-W87 HydrophobicContact CG2-CB 4.08Å; F83-W87 VanDerWaalsContact O-CD1 3.27Å; F83-W87 PolarHBondContact O-N 3.44Å; A84-W87 PolarHBondContact O-N 2.94Å; W87-E89 VanDerWaalsContact C-N 3.31Å; W87-Y90 AromaticContact CE3-CD1 3.96Å; W87-Y90 HydrophobicContact CE3-CD1 3.96Å; W87-Y90 HydrophobicContact CE3-CG 4.25Å; W87-Y90 AromaticContact CZ3-CD1 3.68Å; W87-Y90 HydrophobicContact CZ3-CD1 3.68Å; W87-Y90 HydrophobicContact CZ3-CE1 4.24Å; W87-Y90 HydrophobicContact CZ3-CG 4.1Å; W87-Y90 PolarHBondContact O-N 2.85Å; W87-G91 WeakPolarHBondContact O-CA 3.17Å; W87-G91 PolarHBondContact O-N 3.43Å; W87-W97 HydrophobicContact CD2-CE3 4.31Å; W87-W97 HydrophobicContact CE3-CB 4.4Å; W87-W97 HydrophobicContact CE3-CD2 4.07Å; W87-W97 AromaticContact CE3-CE3 3.5Å; W87-W97 HydrophobicContact CE3-CE3 3.5Å; W87-W97 HydrophobicContact CE3-CG 4.47Å; W87-W97 HydrophobicContact CE3-CZ3 4.07Å; W87-W97 HydrophobicContact CH2-CD2 4.41Å; W87-W97 AromaticContact CH2-CE3 3.49Å; W87-W97 HydrophobicContact CH2-CE3 3.49Å; W87-W97 VanDerWaalsContact CH2-CE3 3.49Å; W87-W97 AromaticContact CH2-CH2 3.76Å; W87-W97 HydrophobicContact CH2-CH2 3.76Å; W87-W97 AromaticContact CH2-CZ3 3.11Å; W87-W97 HydrophobicContact CH2-CZ3 3.11Å; W87-W97 HydrophobicContact CZ2-CE3 4.28Å; W87-W97 AromaticContact CZ2-CZ3 3.92Å; W87-W97 HydrophobicContact CZ2-CZ3 3.92Å; W87-W97 AromaticContact CZ3-CD2 3.65Å; W87-W97 HydrophobicContact CZ3-CD2 3.65Å; W87-W97 AromaticContact CZ3-CE3 3.05Å; W87-W97 HydrophobicContact CZ3-CE3 3.05Å; W87-W97 HydrophobicContact CZ3-CG 4.41Å; W87-W97 AromaticContact CZ3-CH2 3.91Å; W87-W97 HydrophobicContact CZ3-CH2 3.91Å; W87-W97 HydrophobicContact CZ3-CZ2 4.43Å; W87-W97 AromaticContact CZ3-CZ3 3.22Å; W87-W97 HydrophobicContact CZ3-CZ3 3.22Å |
| 88 | K | 96 | Very high | 95.4 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -38.4 | 169.4 | -75.7 | 171.8 | -166.2 | 168 | 0 | 111.7 | V76 S79 A84 E85 G91 K92 L98 | V76-K88 HydrophobicContact CG1-CG 3.98Å; V76-K88 VanDerWaalsContact O-CE 3.29Å; V76-K88 WeakPolarHBondContact O-CE 3.46Å; S79-K88 WeakPolarHBondContact O-CE 3.43Å; S79-K88 PolarHBondContact O-NZ 3.04Å; A84-K88 WeakPolarHBondContact O-CB 3.29Å; A84-K88 WeakPolarHBondContact O-CG 3.28Å; A84-K88 PolarHBondContact O-N 3.38Å; E85-K88 PolarHBondContact O-N 3.38Å; E85-K88 WeakPolarHBondContact OE1-CD 3.41Å; E85-K88 IonicContact OE1-NZ 2.75Å; E85-K88 PolarHBondContact OE1-NZ 3.43Å; K88-G91 PolarHBondContact O-N 2.98Å; K88-K92 PolarHBondContact O-N 2.87Å; K88-L98 HydrophobicContact CB-CD2 4.29Å; K88-L98 HydrophobicContact CG-CD2 4.08Å |
| 89 | E | 94.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 174 | 178.4 | 63.5 | -167.1 | 0 | 0 | 111.6 | V16 T17 E85 L86 W87 G91 K92 Y174 | V16-E89 HydrophobicContact CG1-CB 3.8Å; V16-E89 HydrophobicContact CG1-CG 4.22Å; T17-E89 WeakPolarHBondContact CB-OE1 3.46Å; T17-E89 PolarHBondContact OG1-OE1 3.15Å; E85-E89 PolarHBondContact O-N 3.19Å; L86-E89 WeakPolarHBondContact O-CB 3.32Å; L86-E89 PolarHBondContact O-N 3.14Å; W87-E89 VanDerWaalsContact C-N 3.31Å; E89-G91 VanDerWaalsContact C-N 3.28Å; E89-G91 PolarHBondContact O-N 2.94Å; E89-K92 WeakPolarHBondContact O-CB 3.42Å; E89-K92 PolarHBondContact O-N 3.47Å; E89-K92 WeakPolarHBondContact OE2-CE 3.47Å; E89-K92 IonicContact OE2-NZ 3.49Å; E89-K92 PolarHBondContact OE2-NZ 2.83Å; E89-Y174 HydrophobicContact CG-CE2 3.98Å; E89-Y174 WeakPolarHBondContact CG-OH 3.35Å; E89-Y174 PolarHBondContact OE1-OH 3.12Å |
| 90 | Y | 95.6 | Very high | 95.3 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 13% | 0.129 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -34.2 | 174.6 | -171.3 | -101.6 | 0 | 0 | 0 | 112.2 | L86 W87 K92 A93 D94 W97 Y174 N179 | L86-Y90 PolarHBondContact O-N 3.25Å; W87-Y90 AromaticContact CE3-CD1 3.96Å; W87-Y90 HydrophobicContact CE3-CD1 3.96Å; W87-Y90 HydrophobicContact CE3-CG 4.25Å; W87-Y90 AromaticContact CZ3-CD1 3.68Å; W87-Y90 HydrophobicContact CZ3-CD1 3.68Å; W87-Y90 HydrophobicContact CZ3-CE1 4.24Å; W87-Y90 HydrophobicContact CZ3-CG 4.1Å; W87-Y90 PolarHBondContact O-N 2.85Å; Y90-K92 PolarHBondContact O-N 3.41Å; Y90-K92 VanDerWaalsContact O-N 3.08Å; Y90-A93 WeakPolarHBondContact O-CA 3.3Å; Y90-A93 WeakPolarHBondContact O-CB 3.27Å; Y90-A93 PolarHBondContact O-N 3.38Å; Y90-D94 HydrophobicContact CE1-CB 4.22Å; Y90-D94 PolarHBondContact O-N 3.43Å; Y90-W97 HydrophobicContact CD1-CB 4.4Å; Y90-W97 AromaticContact CD1-CD1 3.96Å; Y90-W97 HydrophobicContact CD1-CD2 4.07Å; Y90-W97 AromaticContact CD1-CG 3.88Å; Y90-W97 HydrophobicContact CD1-CG 3.88Å; Y90-W97 AromaticContact CE1-CD1 3.69Å; Y90-W97 AromaticContact CE1-CD2 3.98Å; Y90-W97 HydrophobicContact CE1-CD2 3.98Å; Y90-W97 AromaticContact CE1-CE2 3.63Å; Y90-W97 AromaticContact CE1-CG 3.99Å; Y90-W97 HydrophobicContact CE1-CG 3.99Å; Y90-W97 HydrophobicContact CE1-CZ2 4.17Å; Y90-W97 AromaticContact CE1-NE1 3.5Å; Y90-Y174 HydrophobicContact CD2-CD2 4.21Å; Y90-Y174 HydrophobicContact CD2-CG 4.46Å; Y90-N179 PolarHBondContact OH-ND2 2.91Å |
| 91 | G | 95.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | W87 K88 E89 A93 D94 E95 | W87-G91 WeakPolarHBondContact O-CA 3.17Å; W87-G91 PolarHBondContact O-N 3.43Å; K88-G91 PolarHBondContact O-N 2.98Å; E89-G91 VanDerWaalsContact C-N 3.28Å; E89-G91 PolarHBondContact O-N 2.94Å; G91-A93 PolarHBondContact O-N 3Å; G91-D94 WeakPolarHBondContact CA-O 3.49Å; G91-D94 CarbonylContact O-C 3.47Å; G91-E95 WeakPolarHBondContact O-CA 3.35Å; G91-E95 PolarHBondContact O-N 3.43Å |
| 92 | K | 94.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 44.3 Ų | 44.3 | 35% | 0.352 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.6 | 169.9 | -61 | 174.1 | -176.7 | 170.4 | 0 | 112.8 | K88 E89 Y90 N164 Y170 | K88-K92 PolarHBondContact O-N 2.87Å; E89-K92 WeakPolarHBondContact O-CB 3.42Å; E89-K92 PolarHBondContact O-N 3.47Å; E89-K92 WeakPolarHBondContact OE2-CE 3.47Å; E89-K92 IonicContact OE2-NZ 3.49Å; E89-K92 PolarHBondContact OE2-NZ 2.83Å; Y90-K92 PolarHBondContact O-N 3.41Å; Y90-K92 VanDerWaalsContact O-N 3.08Å; K92-N164 VanDerWaalsContact O-CB 3.24Å; K92-N164 WeakPolarHBondContact O-CB 3.25Å; K92-N164 PolarHBondContact O-ND2 3.31Å; K92-Y170 HydrophobicContact CB-CD2 4.4Å; K92-Y170 HydrophobicContact CB-CE1 4.13Å; K92-Y170 HydrophobicContact CB-CE2 3.86Å; K92-Y170 WeakPolarHBondContact CD-OH 3.12Å; K92-Y170 WeakPolarHBondContact O-CD2 3.07Å |
| 93 | A | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -36.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y90 G91 L163 N164 Y170 Y174 L175 | Y90-A93 WeakPolarHBondContact O-CA 3.3Å; Y90-A93 WeakPolarHBondContact O-CB 3.27Å; Y90-A93 PolarHBondContact O-N 3.38Å; G91-A93 PolarHBondContact O-N 3Å; A93-L163 WeakPolarHBondContact O-CA 3.45Å; A93-N164 PolarHBondContact O-N 3.47Å; A93-Y170 HydrophobicContact CB-CG 4.16Å; A93-Y174 HydrophobicContact CB-CD2 3.9Å; A93-Y174 HydrophobicContact CB-CG 4.4Å; A93-L175 HydrophobicContact CB-CD2 4.21Å; A93-L175 HydrophobicContact CB-CG 4.16Å |
| 94 | D | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -141.7 | 101.7 | 178.5 | -173.3 | -5.1 | 0 | 0 | 0 | 110.9 | Y90 G91 R96 W97 N162 L163 L175 | Y90-D94 HydrophobicContact CE1-CB 4.22Å; Y90-D94 PolarHBondContact O-N 3.43Å; G91-D94 WeakPolarHBondContact CA-O 3.49Å; G91-D94 CarbonylContact O-C 3.47Å; D94-R96 VanDerWaalsContact CG-NH2 3.26Å; D94-R96 PolarHBondContact O-N 3.06Å; D94-R96 VanDerWaalsContact O-N 3.14Å; D94-R96 WeakPolarHBondContact OD1-CB 3.44Å; D94-R96 IonicContact OD1-CZ 2.81Å; D94-R96 PolarHBondContact OD1-N 2.99Å; D94-R96 IonicContact OD1-NE 3.18Å; D94-R96 PolarHBondContact OD1-NE 3.41Å; D94-R96 IonicContact OD1-NH2 3.98Å; D94-R96 PolarHBondContact OD1-NH2 2.79Å; D94-R96 IonicContact OD2-CZ 3.62Å; D94-R96 IonicContact OD2-NE 2.71Å; D94-R96 IonicContact OD2-NH2 3.39Å; D94-R96 PolarHBondContact OD2-NH2 2.93Å; D94-W97 PolarHBondContact O-N 3.34Å; D94-W97 PolarHBondContact OD2-NE1 3.03Å; D94-W97 VanDerWaalsContact OD2-NE1 3.08Å; D94-N162 WeakPolarHBondContact CA-O 3.4Å; D94-L163 HydrophobicContact CB-CD2 3.66Å; D94-L163 VanDerWaalsContact CG-CD2 3.43Å; D94-L175 HydrophobicContact CB-CD2 4.35Å |
| 95 | E | 96.9 | Very high | 96.1 | Very high | 88 Ų | 88 | 38 Ų | 38 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -67.1 | -18.3 | -171 | 69.2 | -175.9 | 177.8 | 0 | 0 | 114 | G91 W97 L98 N162 | G91-E95 WeakPolarHBondContact O-CA 3.35Å; G91-E95 PolarHBondContact O-N 3.43Å; E95-W97 PolarHBondContact O-N 3.31Å; E95-W97 VanDerWaalsContact O-N 3.17Å; E95-L98 VanDerWaalsContact O-CB 3.32Å; E95-L98 WeakPolarHBondContact O-CB 3.46Å; E95-L98 PolarHBondContact O-N 2.92Å; E95-N162 HydrophobicContact CG-CB 3.76Å; E95-N162 VanDerWaalsContact CG-OD1 3.26Å; E95-N162 WeakPolarHBondContact CG-OD1 3.33Å; E95-N162 PolarHBondContact N-O 2.7Å; E95-N162 VanDerWaalsContact N-O 3.12Å; E95-N162 PolarHBondContact OE1-OD1 3.16Å |
| 96 | R | 97.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -58.9 | -29.6 | 178 | -72.7 | 172.8 | -65 | 159.2 | -1.7 | 112.8 | D94 L98 H99 S100 D101 I104 T151 D155 N162 | D94-R96 VanDerWaalsContact CG-NH2 3.26Å; D94-R96 PolarHBondContact O-N 3.06Å; D94-R96 VanDerWaalsContact O-N 3.14Å; D94-R96 WeakPolarHBondContact OD1-CB 3.44Å; D94-R96 IonicContact OD1-CZ 2.81Å; D94-R96 PolarHBondContact OD1-N 2.99Å; D94-R96 IonicContact OD1-NE 3.18Å; D94-R96 PolarHBondContact OD1-NE 3.41Å; D94-R96 IonicContact OD1-NH2 3.98Å; D94-R96 PolarHBondContact OD1-NH2 2.79Å; D94-R96 IonicContact OD2-CZ 3.62Å; D94-R96 IonicContact OD2-NE 2.71Å; D94-R96 IonicContact OD2-NH2 3.39Å; D94-R96 PolarHBondContact OD2-NH2 2.93Å; R96-L98 VanDerWaalsContact C-N 3.29Å; R96-L98 PolarHBondContact O-N 3.15Å; R96-H99 PolarHBondContact O-N 3.02Å; R96-S100 PolarHBondContact O-N 3.5Å; R96-D101 HydrophobicContact CB-CB 3.6Å; R96-D101 HydrophobicContact CG-CB 3.89Å; R96-D101 PolarHBondContact O-N 3.24Å; R96-D101 VanDerWaalsContact O-N 3.14Å; R96-I104 HydrophobicContact CB-CG1 3.87Å; R96-T151 PolarHBondContact NH1-O 3.46Å; R96-T151 PolarHBondContact NH2-O 2.9Å; R96-D155 IonicContact NE-OD1 3.18Å; R96-N162 HydrophobicContact CG-CB 3.73Å; R96-N162 VanDerWaalsContact CG-CG 3.47Å |
| 97 | W | 97.2 | Very high | 96.3 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 4% | 0.038 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -73 | -20.9 | 177 | -64.2 | 77.4 | 0 | 0 | 0 | 112.8 | F67 V76 W87 Y90 D94 E95 I104 E108 | F67-W97 HydrophobicContact CD1-CE3 4.05Å; F67-W97 AromaticContact CD1-CZ3 3.89Å; F67-W97 HydrophobicContact CD1-CZ3 3.89Å; F67-W97 AromaticContact CD2-CE3 3.83Å; F67-W97 HydrophobicContact CD2-CE3 3.83Å; F67-W97 HydrophobicContact CD2-CZ3 4.44Å; F67-W97 AromaticContact CE1-CE3 3.95Å; F67-W97 HydrophobicContact CE1-CE3 3.95Å; F67-W97 AromaticContact CE1-CZ3 3.98Å; F67-W97 HydrophobicContact CE1-CZ3 3.98Å; F67-W97 HydrophobicContact CE2-CB 4.31Å; F67-W97 HydrophobicContact CE2-CD2 4.46Å; F67-W97 AromaticContact CE2-CE3 3.73Å; F67-W97 HydrophobicContact CE2-CE3 3.73Å; F67-W97 WeakPolarHBondContact CE2-O 3.38Å; F67-W97 HydrophobicContact CG-CE3 4Å; F67-W97 HydrophobicContact CG-CZ3 4.15Å; F67-W97 HydrophobicContact CZ-CD2 4.5Å; F67-W97 AromaticContact CZ-CE3 3.79Å; F67-W97 HydrophobicContact CZ-CE3 3.79Å; F67-W97 HydrophobicContact CZ-CZ3 4.29Å; V76-W97 WeakPolarHBondContact CB-O 3.37Å; V76-W97 WeakPolarHBondContact CG2-O 3.37Å; W87-W97 HydrophobicContact CD2-CE3 4.31Å; W87-W97 HydrophobicContact CE3-CB 4.4Å; W87-W97 HydrophobicContact CE3-CD2 4.07Å; W87-W97 AromaticContact CE3-CE3 3.5Å; W87-W97 HydrophobicContact CE3-CE3 3.5Å; W87-W97 HydrophobicContact CE3-CG 4.47Å; W87-W97 HydrophobicContact CE3-CZ3 4.07Å; W87-W97 HydrophobicContact CH2-CD2 4.41Å; W87-W97 AromaticContact CH2-CE3 3.49Å; W87-W97 HydrophobicContact CH2-CE3 3.49Å; W87-W97 VanDerWaalsContact CH2-CE3 3.49Å; W87-W97 AromaticContact CH2-CH2 3.76Å; W87-W97 HydrophobicContact CH2-CH2 3.76Å; W87-W97 AromaticContact CH2-CZ3 3.11Å; W87-W97 HydrophobicContact CH2-CZ3 3.11Å; W87-W97 HydrophobicContact CZ2-CE3 4.28Å; W87-W97 AromaticContact CZ2-CZ3 3.92Å; W87-W97 HydrophobicContact CZ2-CZ3 3.92Å; W87-W97 AromaticContact CZ3-CD2 3.65Å; W87-W97 HydrophobicContact CZ3-CD2 3.65Å; W87-W97 AromaticContact CZ3-CE3 3.05Å; W87-W97 HydrophobicContact CZ3-CE3 3.05Å; W87-W97 HydrophobicContact CZ3-CG 4.41Å; W87-W97 AromaticContact CZ3-CH2 3.91Å; W87-W97 HydrophobicContact CZ3-CH2 3.91Å; W87-W97 HydrophobicContact CZ3-CZ2 4.43Å; W87-W97 AromaticContact CZ3-CZ3 3.22Å; W87-W97 HydrophobicContact CZ3-CZ3 3.22Å; Y90-W97 HydrophobicContact CD1-CB 4.4Å; Y90-W97 AromaticContact CD1-CD1 3.96Å; Y90-W97 HydrophobicContact CD1-CD2 4.07Å; Y90-W97 AromaticContact CD1-CG 3.88Å; Y90-W97 HydrophobicContact CD1-CG 3.88Å; Y90-W97 AromaticContact CE1-CD1 3.69Å; Y90-W97 AromaticContact CE1-CD2 3.98Å; Y90-W97 HydrophobicContact CE1-CD2 3.98Å; Y90-W97 AromaticContact CE1-CE2 3.63Å; Y90-W97 AromaticContact CE1-CG 3.99Å; Y90-W97 HydrophobicContact CE1-CG 3.99Å; Y90-W97 HydrophobicContact CE1-CZ2 4.17Å; Y90-W97 AromaticContact CE1-NE1 3.5Å; D94-W97 PolarHBondContact O-N 3.34Å; D94-W97 PolarHBondContact OD2-NE1 3.03Å; D94-W97 VanDerWaalsContact OD2-NE1 3.08Å; E95-W97 PolarHBondContact O-N 3.31Å; E95-W97 VanDerWaalsContact O-N 3.17Å; W97-I104 HydrophobicContact CD2-CG2 3.82Å; W97-I104 HydrophobicContact CE3-CG2 3.98Å; W97-I104 HydrophobicContact CG-CG2 4.43Å; W97-I104 HydrophobicContact CH2-CG2 4.14Å; W97-I104 HydrophobicContact CZ2-CG2 3.93Å; W97-I104 HydrophobicContact CZ3-CG2 4.13Å; W97-E108 VanDerWaalsContact CH2-CD 3.45Å; W97-E108 HydrophobicContact CH2-CG 3.89Å; W97-E108 WeakPolarHBondContact CH2-OE1 3.49Å; W97-E108 HydrophobicContact CZ3-CG 3.88Å |
| 98 | L | 97.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 37 Ų | 37 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -36.7 | 176.2 | -61.7 | -178.8 | 0 | 0 | 0 | 112.1 | T75 V76 A77 K88 E95 R96 | T75-L98 WeakPolarHBondContact CB-O 3.39Å; V76-L98 HydrophobicContact CG1-CD2 4.17Å; V76-L98 PolarHBondContact N-O 3.12Å; A77-L98 HydrophobicContact CB-CB 4.37Å; A77-L98 WeakPolarHBondContact CB-O 3.35Å; A77-L98 PolarHBondContact N-O 3.38Å; K88-L98 HydrophobicContact CB-CD2 4.29Å; K88-L98 HydrophobicContact CG-CD2 4.08Å; E95-L98 VanDerWaalsContact O-CB 3.32Å; E95-L98 WeakPolarHBondContact O-CB 3.46Å; E95-L98 PolarHBondContact O-N 2.92Å; R96-L98 VanDerWaalsContact C-N 3.29Å; R96-L98 PolarHBondContact O-N 3.15Å |
| 99 | H | 96.2 | Very high | 96.3 | Very high | 119 Ų | 119 | 37.9 Ų | 37.9 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 14.5 | -166.2 | -60.6 | -56.5 | 0 | 0 | 0 | 113.7 | R96 D101 | R96-H99 PolarHBondContact O-N 3.02Å; H99-D101 PolarHBondContact O-N 2.92Å |
| 100 | S | 94.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 48.9 | 173.1 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | S71 R96 | S71-S100 VanDerWaalsContact CA-OG 3.29Å; S71-S100 WeakPolarHBondContact CA-OG 3.3Å; S71-S100 WeakPolarHBondContact CB-OG 3.4Å; S71-S100 PolarHBondContact OG-OG 2.97Å; R96-S100 PolarHBondContact O-N 3.5Å |
| 101 | D | 97.3 | Very high | 96.1 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 24% | 0.235 | 22% | 0.221 | C | C | . | . | trans | -50.5 | 127.6 | 175.9 | 175.8 | -91.2 | 0 | 0 | 0 | 110.6 | R96 H99 T103 I104 V105 | R96-D101 HydrophobicContact CB-CB 3.6Å; R96-D101 HydrophobicContact CG-CB 3.89Å; R96-D101 PolarHBondContact O-N 3.24Å; R96-D101 VanDerWaalsContact O-N 3.14Å; H99-D101 PolarHBondContact O-N 2.92Å; D101-T103 PolarHBondContact O-N 2.88Å; D101-T103 VanDerWaalsContact O-N 3.17Å; D101-T103 WeakPolarHBondContact OD1-CA 3.34Å; D101-T103 WeakPolarHBondContact OD1-CB 3.4Å; D101-T103 PolarHBondContact OD1-N 3.02Å; D101-I104 HydrophobicContact CB-CB 4.26Å; D101-I104 HydrophobicContact CB-CG1 4.06Å; D101-I104 PolarHBondContact O-N 2.84Å; D101-I104 VanDerWaalsContact O-N 3.15Å; D101-I104 PolarHBondContact OD1-N 2.91Å; D101-I104 VanDerWaalsContact OD1-N 3.09Å; D101-V105 WeakPolarHBondContact O-CG2 3.46Å; D101-V105 PolarHBondContact O-N 3.43Å | ||
| 102 | P | 96.2 | Very high | 96 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 66% | 0.662 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.5 | -31.6 | -174.4 | -27.1 | 34.6 | 0 | 0 | 0 | 114.1 | S106 | P102-S106 WeakPolarHBondContact O-CB 3.23Å; P102-S106 PolarHBondContact O-N 3.33Å; P102-S106 PolarHBondContact O-OG 3.41Å |
| 103 | T | 94.8 | Very high | 96 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.6 | -51.3 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | D101 S106 L107 | D101-T103 PolarHBondContact O-N 2.88Å; D101-T103 VanDerWaalsContact O-N 3.17Å; D101-T103 WeakPolarHBondContact OD1-CA 3.34Å; D101-T103 WeakPolarHBondContact OD1-CB 3.4Å; D101-T103 PolarHBondContact OD1-N 3.02Å; T103-S106 PolarHBondContact O-N 3.48Å; T103-S106 PolarHBondContact O-OG 3.26Å; T103-L107 HydrophobicContact CG2-CD1 4.21Å; T103-L107 WeakPolarHBondContact O-CG 3.3Å; T103-L107 PolarHBondContact O-N 2.79Å; T103-L107 VanDerWaalsContact O-N 3.09Å |
| 104 | I | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -52.4 | 177.1 | -58.7 | -55.1 | 0 | 0 | 0 | 110.9 | F67 R96 W97 D101 S106 L107 E108 T151 | F67-I104 HydrophobicContact CE1-CG2 3.95Å; F67-I104 HydrophobicContact CZ-CG2 3.76Å; R96-I104 HydrophobicContact CB-CG1 3.87Å; W97-I104 HydrophobicContact CD2-CG2 3.82Å; W97-I104 HydrophobicContact CE3-CG2 3.98Å; W97-I104 HydrophobicContact CG-CG2 4.43Å; W97-I104 HydrophobicContact CH2-CG2 4.14Å; W97-I104 HydrophobicContact CZ2-CG2 3.93Å; W97-I104 HydrophobicContact CZ3-CG2 4.13Å; D101-I104 HydrophobicContact CB-CB 4.26Å; D101-I104 HydrophobicContact CB-CG1 4.06Å; D101-I104 PolarHBondContact O-N 2.84Å; D101-I104 VanDerWaalsContact O-N 3.15Å; D101-I104 PolarHBondContact OD1-N 2.91Å; D101-I104 VanDerWaalsContact OD1-N 3.09Å; I104-S106 VanDerWaalsContact C-N 3.28Å; I104-S106 PolarHBondContact O-N 3.29Å; I104-L107 PolarHBondContact O-N 2.85Å; I104-L107 VanDerWaalsContact O-N 3.13Å; I104-E108 HydrophobicContact CG2-CG 4.09Å; I104-E108 WeakPolarHBondContact O-CB 3.24Å; I104-E108 VanDerWaalsContact O-CG 3.28Å; I104-E108 WeakPolarHBondContact O-CG 3.29Å; I104-E108 PolarHBondContact O-N 2.82Å; I104-T151 HydrophobicContact CD1-CG2 3.85Å |
| 105 | V | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -37.8 | -178.3 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | F67 D101 E108 L109 | F67-V105 HydrophobicContact CE1-CG2 4.2Å; F67-V105 HydrophobicContact CZ-CG2 3.89Å; D101-V105 WeakPolarHBondContact O-CG2 3.46Å; D101-V105 PolarHBondContact O-N 3.43Å; V105-E108 PolarHBondContact O-N 3.16Å; V105-L109 HydrophobicContact CG1-CD1 4.35Å; V105-L109 WeakPolarHBondContact O-CB 3.27Å; V105-L109 WeakPolarHBondContact O-CG 3.28Å; V105-L109 PolarHBondContact O-N 3.27Å |
| 106 | S | 96.8 | Very high | 95.9 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.8 | -35.5 | 178.2 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | P102 T103 I104 | P102-S106 WeakPolarHBondContact O-CB 3.23Å; P102-S106 PolarHBondContact O-N 3.33Å; P102-S106 PolarHBondContact O-OG 3.41Å; T103-S106 PolarHBondContact O-N 3.48Å; T103-S106 PolarHBondContact O-OG 3.26Å; I104-S106 VanDerWaalsContact C-N 3.28Å; I104-S106 PolarHBondContact O-N 3.29Å |
| 107 | L | 96.4 | Very high | 95.9 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -47.3 | 173.8 | -69.1 | 169.9 | 0 | 0 | 0 | 110.5 | T103 I104 L109 L110 T111 M150 | T103-L107 HydrophobicContact CG2-CD1 4.21Å; T103-L107 WeakPolarHBondContact O-CG 3.3Å; T103-L107 PolarHBondContact O-N 2.79Å; T103-L107 VanDerWaalsContact O-N 3.09Å; I104-L107 PolarHBondContact O-N 2.85Å; I104-L107 VanDerWaalsContact O-N 3.13Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 2.98Å; L107-L110 CarbonylContact O-C 3.57Å; L107-L110 WeakPolarHBondContact O-CA 3.44Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 2.9Å; L107-T111 PolarHBondContact O-N 3.43Å; L107-M150 HydrophobicContact CD1-CB 3.69Å; L107-M150 HydrophobicContact CD2-CB 3.87Å; L107-M150 HydrophobicContact CG-CB 4.41Å |
| 108 | E | 96.8 | Very high | 96 | Very high | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -31.2 | -177.2 | -66.6 | -64 | 130.2 | 0 | 0 | 112.6 | E64 F67 V68 W97 I104 V105 L110 T111 V112 | E64-E108 VanDerWaalsContact CB-OE2 3.25Å; E64-E108 WeakPolarHBondContact CB-OE2 3.27Å; E64-E108 WeakPolarHBondContact CG-OE2 3.32Å; F67-E108 HydrophobicContact CD1-CB 3.91Å; F67-E108 HydrophobicContact CD1-CG 3.85Å; F67-E108 HydrophobicContact CE1-CB 3.8Å; F67-E108 HydrophobicContact CE1-CG 3.61Å; V68-E108 HydrophobicContact CG2-CB 3.6Å; W97-E108 VanDerWaalsContact CH2-CD 3.45Å; W97-E108 HydrophobicContact CH2-CG 3.89Å; W97-E108 WeakPolarHBondContact CH2-OE1 3.49Å; W97-E108 HydrophobicContact CZ3-CG 3.88Å; I104-E108 HydrophobicContact CG2-CG 4.09Å; I104-E108 WeakPolarHBondContact O-CB 3.24Å; I104-E108 VanDerWaalsContact O-CG 3.28Å; I104-E108 WeakPolarHBondContact O-CG 3.29Å; I104-E108 PolarHBondContact O-N 2.82Å; V105-E108 PolarHBondContact O-N 3.16Å; E108-L110 VanDerWaalsContact C-N 3.26Å; E108-L110 PolarHBondContact O-N 3.41Å; E108-T111 VanDerWaalsContact CA-OG1 3.29Å; E108-T111 WeakPolarHBondContact CA-OG1 3.42Å; E108-T111 PolarHBondContact O-N 2.91Å; E108-T111 PolarHBondContact O-OG1 3.06Å; E108-T111 VanDerWaalsContact O-OG1 3.11Å; E108-V112 VanDerWaalsContact O-CB 3.24Å; E108-V112 WeakPolarHBondContact O-CB 3.41Å; E108-V112 WeakPolarHBondContact O-CG2 3.5Å; E108-V112 PolarHBondContact O-N 3.08Å |
| 109 | L | 95.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 37% | 0.366 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 169.1 | -87.4 | 166.2 | 0 | 0 | 0 | 112.3 | V68 L72 V105 L107 V113 | V68-L109 HydrophobicContact CG1-CD2 3.45Å; V68-L109 VanDerWaalsContact CG1-CD2 3.45Å; V68-L109 HydrophobicContact CG1-CG 3.84Å; L72-L109 HydrophobicContact CD1-CD2 4.29Å; V105-L109 HydrophobicContact CG1-CD1 4.35Å; V105-L109 WeakPolarHBondContact O-CB 3.27Å; V105-L109 WeakPolarHBondContact O-CG 3.28Å; V105-L109 PolarHBondContact O-N 3.27Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 2.98Å; L109-V113 WeakPolarHBondContact O-CB 3.35Å; L109-V113 WeakPolarHBondContact O-CG2 3.4Å; L109-V113 PolarHBondContact O-N 3.27Å |
| 110 | L | 94 | Very high | 96.2 | Very high | 83 Ų | 83 | 43.8 Ų | 43.8 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74 | -45.7 | 178.1 | -173.5 | 154.8 | 0 | 0 | 0 | 110.5 | L107 E108 V113 L114 D115 | L107-L110 CarbonylContact O-C 3.57Å; L107-L110 WeakPolarHBondContact O-CA 3.44Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 2.9Å; E108-L110 VanDerWaalsContact C-N 3.26Å; E108-L110 PolarHBondContact O-N 3.41Å; L110-V113 PolarHBondContact O-N 3.29Å; L110-L114 HydrophobicContact CD2-CB 4.17Å; L110-L114 HydrophobicContact CD2-CD2 3.97Å; L110-L114 HydrophobicContact CG-CB 4.24Å; L110-L114 HydrophobicContact CG-CD2 4.18Å; L110-L114 WeakPolarHBondContact O-CA 3.29Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 PolarHBondContact O-N 3.1Å; L110-D115 PolarHBondContact O-N 3.45Å |
| 111 | T | 92.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -63.7 | -47.5 | -179.2 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | E64 L107 E108 V113 D115 G116 | E64-T111 WeakPolarHBondContact OE2-CB 3.5Å; E64-T111 PolarHBondContact OE2-OG1 3.13Å; L107-T111 PolarHBondContact O-N 3.43Å; E108-T111 VanDerWaalsContact CA-OG1 3.29Å; E108-T111 WeakPolarHBondContact CA-OG1 3.42Å; E108-T111 PolarHBondContact O-N 2.91Å; E108-T111 PolarHBondContact O-OG1 3.06Å; E108-T111 VanDerWaalsContact O-OG1 3.11Å; T111-V113 VanDerWaalsContact C-N 3.32Å; T111-V113 PolarHBondContact O-N 3Å; T111-D115 CarbonylContact O-C 3.59Å; T111-D115 WeakPolarHBondContact O-CA 2.98Å; T111-D115 VanDerWaalsContact O-CB 3.31Å; T111-D115 WeakPolarHBondContact O-CB 3.48Å; T111-D115 PolarHBondContact O-N 3.46Å; T111-G116 PolarHBondContact O-N 2.9Å |
| 112 | V | 94.6 | Very high | 96.5 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 21% | 0.212 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -58.8 | -43.1 | 179.7 | 170.5 | 0 | 0 | 0 | 0 | 112 | E64 V68 E108 | E64-V112 VanDerWaalsContact C-CG2 3.45Å; E64-V112 HydrophobicContact CB-CG2 3.36Å; V68-V112 HydrophobicContact CG2-CG2 3.99Å; E108-V112 VanDerWaalsContact O-CB 3.24Å; E108-V112 WeakPolarHBondContact O-CB 3.41Å; E108-V112 WeakPolarHBondContact O-CG2 3.5Å; E108-V112 PolarHBondContact O-N 3.08Å |
| 113 | V | 94.4 | Very high | 96.6 | Very high | 85 Ų | 85 | 39 Ų | 39 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -88.4 | -58.6 | -174.7 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | L109 L110 T111 I117 | L109-V113 WeakPolarHBondContact O-CB 3.35Å; L109-V113 WeakPolarHBondContact O-CG2 3.4Å; L109-V113 PolarHBondContact O-N 3.27Å; L110-V113 PolarHBondContact O-N 3.29Å; T111-V113 VanDerWaalsContact C-N 3.32Å; T111-V113 PolarHBondContact O-N 3Å; V113-I117 HydrophobicContact CG1-CD1 4.36Å; V113-I117 VanDerWaalsContact O-CB 3.31Å; V113-I117 WeakPolarHBondContact O-CB 3.17Å; V113-I117 WeakPolarHBondContact O-CD1 3.5Å; V113-I117 WeakPolarHBondContact O-CG1 3.37Å; V113-I117 PolarHBondContact O-N 3.26Å |
| 114 | L | 95.7 | Very high | 96.8 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 40% | 0.398 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -74.6 | -55.1 | -174.5 | -177.5 | 60.9 | 0 | 0 | 0 | 111 | L110 I117 L118 | L110-L114 HydrophobicContact CD2-CB 4.17Å; L110-L114 HydrophobicContact CD2-CD2 3.97Å; L110-L114 HydrophobicContact CG-CB 4.24Å; L110-L114 HydrophobicContact CG-CD2 4.18Å; L110-L114 WeakPolarHBondContact O-CA 3.29Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 PolarHBondContact O-N 3.1Å; L114-I117 PolarHBondContact O-N 2.98Å; L114-L118 HydrophobicContact CD1-CD1 3.97Å; L114-L118 HydrophobicContact CD1-CG 4.12Å; L114-L118 HydrophobicContact CG-CD1 3.8Å; L114-L118 HydrophobicContact CG-CG 4.35Å; L114-L118 WeakPolarHBondContact O-CB 3.45Å; L114-L118 VanDerWaalsContact O-CG 3.27Å; L114-L118 WeakPolarHBondContact O-CG 3.45Å; L114-L118 PolarHBondContact O-N 3.11Å |
| 115 | D | 96.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -70.3 | -41.1 | -172.9 | -63.2 | -5.5 | 0 | 0 | 0 | 110.7 | L110 T111 I117 L118 A119 L140 C143 | L110-D115 PolarHBondContact O-N 3.45Å; T111-D115 CarbonylContact O-C 3.59Å; T111-D115 WeakPolarHBondContact O-CA 2.98Å; T111-D115 VanDerWaalsContact O-CB 3.31Å; T111-D115 WeakPolarHBondContact O-CB 3.48Å; T111-D115 PolarHBondContact O-N 3.46Å; D115-I117 VanDerWaalsContact C-N 3.32Å; D115-I117 PolarHBondContact O-N 3.07Å; D115-L118 CarbonylContact O-C 3.6Å; D115-L118 PolarHBondContact O-N 3Å; D115-L118 VanDerWaalsContact O-N 3.11Å; D115-A119 WeakPolarHBondContact O-CB 3.38Å; D115-A119 PolarHBondContact O-N 3.27Å; D115-L140 HydrophobicContact CB-CD1 3.66Å; D115-C143 WeakPolarHBondContact OD1-CB 3.45Å; D115-C143 WeakPolarHBondContact OD2-CB 3.2Å |
| 116 | G | 96.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.7 | -42.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T111 L120 | T111-G116 PolarHBondContact O-N 2.9Å; G116-L120 WeakPolarHBondContact O-CG 3.4Å; G116-L120 PolarHBondContact O-N 3.41Å |
| 117 | I | 97.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 39.8 Ų | 39.8 | 51% | 0.508 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.5 | -45.1 | 174.8 | -71.3 | 170.9 | 0 | 0 | 0 | 110.9 | V113 L114 D115 A119 L120 V121 | V113-I117 HydrophobicContact CG1-CD1 4.36Å; V113-I117 VanDerWaalsContact O-CB 3.31Å; V113-I117 WeakPolarHBondContact O-CB 3.17Å; V113-I117 WeakPolarHBondContact O-CD1 3.5Å; V113-I117 WeakPolarHBondContact O-CG1 3.37Å; V113-I117 PolarHBondContact O-N 3.26Å; L114-I117 PolarHBondContact O-N 2.98Å; D115-I117 VanDerWaalsContact C-N 3.32Å; D115-I117 PolarHBondContact O-N 3.07Å; I117-A119 VanDerWaalsContact C-N 3.31Å; I117-A119 PolarHBondContact O-N 3.39Å; I117-L120 PolarHBondContact O-N 2.94Å; I117-V121 HydrophobicContact CG2-CG2 4.12Å; I117-V121 VanDerWaalsContact O-CG2 3.3Å; I117-V121 WeakPolarHBondContact O-CG2 3.22Å; I117-V121 PolarHBondContact O-N 2.82Å |
| 118 | L | 98.4 | Very high | 97 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 179.9 | -73.6 | 173.1 | 0 | 0 | 0 | 111.7 | L114 D115 V121 L122 V136 T139 L140 | L114-L118 HydrophobicContact CD1-CD1 3.97Å; L114-L118 HydrophobicContact CD1-CG 4.12Å; L114-L118 HydrophobicContact CG-CD1 3.8Å; L114-L118 HydrophobicContact CG-CG 4.35Å; L114-L118 WeakPolarHBondContact O-CB 3.45Å; L114-L118 VanDerWaalsContact O-CG 3.27Å; L114-L118 WeakPolarHBondContact O-CG 3.45Å; L114-L118 PolarHBondContact O-N 3.11Å; D115-L118 CarbonylContact O-C 3.6Å; D115-L118 PolarHBondContact O-N 3Å; D115-L118 VanDerWaalsContact O-N 3.11Å; L118-V121 PolarHBondContact O-N 3.09Å; L118-L122 VanDerWaalsContact O-CB 3.24Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 PolarHBondContact O-N 3.46Å; L118-V136 HydrophobicContact CB-CG1 4.46Å; L118-V136 HydrophobicContact CD2-CG1 4Å; L118-T139 HydrophobicContact CD1-CG2 3.84Å; L118-T139 HydrophobicContact CD2-CG2 4.44Å; L118-L140 HydrophobicContact CB-CB 4.19Å; L118-L140 HydrophobicContact CB-CD1 4.02Å |
| 119 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A57 D115 I117 L122 V123 L140 | A57-A119 HydrophobicContact CB-CB 4.24Å; D115-A119 WeakPolarHBondContact O-CB 3.38Å; D115-A119 PolarHBondContact O-N 3.27Å; I117-A119 VanDerWaalsContact C-N 3.31Å; I117-A119 PolarHBondContact O-N 3.39Å; A119-L122 PolarHBondContact O-N 3.01Å; A119-V123 WeakPolarHBondContact O-CG2 3.41Å; A119-V123 PolarHBondContact O-N 2.67Å; A119-L140 HydrophobicContact CB-CD2 4.14Å |
| 120 | L | 98.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 44% | 0.44 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 177.3 | -65.2 | 177.7 | 0 | 0 | 0 | 112.7 | A57 G116 I117 L122 V123 Y124 | A57-L120 HydrophobicContact CB-CD2 3.88Å; A57-L120 HydrophobicContact CB-CG 4.25Å; G116-L120 WeakPolarHBondContact O-CG 3.4Å; G116-L120 PolarHBondContact O-N 3.41Å; I117-L120 PolarHBondContact O-N 2.94Å; L120-L122 VanDerWaalsContact C-N 3.29Å; L120-L122 PolarHBondContact O-N 2.8Å; L120-V123 WeakPolarHBondContact O-CB 3.3Å; L120-V123 PolarHBondContact O-N 2.85Å; L120-Y124 PolarHBondContact O-N 3.18Å |
| 121 | V | 98.7 | Very high | 97.2 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | I117 L118 Y124 A125 Y132 V136 | I117-V121 HydrophobicContact CG2-CG2 4.12Å; I117-V121 VanDerWaalsContact O-CG2 3.3Å; I117-V121 WeakPolarHBondContact O-CG2 3.22Å; I117-V121 PolarHBondContact O-N 2.82Å; L118-V121 PolarHBondContact O-N 3.09Å; V121-Y124 WeakPolarHBondContact O-CB 3.46Å; V121-Y124 PolarHBondContact O-N 3.28Å; V121-A125 WeakPolarHBondContact O-CB 3.35Å; V121-A125 PolarHBondContact O-N 3.33Å; V121-Y132 HydrophobicContact CG1-CE2 4.38Å; V121-V136 HydrophobicContact CB-CG1 4.41Å; V121-V136 HydrophobicContact CG1-CG1 4.11Å; V121-V136 HydrophobicContact CG1-CG2 4.11Å |
| 122 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 177.8 | -177.3 | 54.2 | 0 | 0 | 0 | 111.9 | L53 L118 A119 L120 Y124 A125 I126 R133 V136 Q137 L140 | L53-L122 HydrophobicContact CD1-CB 4.1Å; L53-L122 HydrophobicContact CD1-CD2 3.73Å; L53-L122 HydrophobicContact CD1-CG 3.58Å; L53-L122 HydrophobicContact CD2-CD2 3.7Å; L53-L122 HydrophobicContact CD2-CG 4.37Å; L53-L122 HydrophobicContact CG-CD2 4.36Å; L118-L122 VanDerWaalsContact O-CB 3.24Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 PolarHBondContact O-N 3.46Å; A119-L122 PolarHBondContact O-N 3.01Å; L120-L122 VanDerWaalsContact C-N 3.29Å; L120-L122 PolarHBondContact O-N 2.8Å; L122-Y124 VanDerWaalsContact C-N 3.28Å; L122-Y124 PolarHBondContact O-N 2.91Å; L122-A125 WeakPolarHBondContact O-CB 3.38Å; L122-A125 PolarHBondContact O-N 3.26Å; L122-A125 VanDerWaalsContact O-N 3.13Å; L122-I126 HydrophobicContact CD1-CD1 4.16Å; L122-I126 HydrophobicContact CD1-CG1 4.15Å; L122-I126 HydrophobicContact CG-CD1 4.03Å; L122-I126 HydrophobicContact CG-CG1 4.48Å; L122-I126 WeakPolarHBondContact O-CG1 3.45Å; L122-I126 PolarHBondContact O-N 2.67Å; L122-R133 HydrophobicContact CD1-CG 3.81Å; L122-R133 VanDerWaalsContact CD1-O 3.3Å; L122-R133 WeakPolarHBondContact CD1-O 3.49Å; L122-V136 HydrophobicContact CB-CG1 3.86Å; L122-V136 HydrophobicContact CD1-CB 4.39Å; L122-Q137 HydrophobicContact CD1-CB 3.87Å; L122-Q137 HydrophobicContact CD2-CB 3.75Å; L122-Q137 HydrophobicContact CD2-CG 3.98Å; L122-Q137 HydrophobicContact CG-CB 4.5Å; L122-L140 HydrophobicContact CD2-CD2 4.06Å |
| 123 | V | 98.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.3 | -50.5 | 169.6 | 164.5 | 0 | 0 | 0 | 0 | 110 | L50 L53 F54 A119 L120 A125 I126 V127 | L50-V123 HydrophobicContact CD2-CB 4.16Å; L50-V123 HydrophobicContact CD2-CG1 4Å; L50-V123 HydrophobicContact CD2-CG2 4Å; L53-V123 HydrophobicContact CB-CG2 3.55Å; L53-V123 HydrophobicContact CD1-CG2 4.06Å; L53-V123 HydrophobicContact CG-CG2 4.48Å; F54-V123 HydrophobicContact CD1-CG2 4.46Å; F54-V123 HydrophobicContact CE1-CG1 3.87Å; F54-V123 HydrophobicContact CE1-CG2 4.32Å; F54-V123 HydrophobicContact CE2-CG1 4.06Å; F54-V123 HydrophobicContact CZ-CG1 3.47Å; F54-V123 VanDerWaalsContact CZ-CG1 3.47Å; F54-V123 HydrophobicContact CZ-CG2 4.36Å; A119-V123 WeakPolarHBondContact O-CG2 3.41Å; A119-V123 PolarHBondContact O-N 2.67Å; L120-V123 WeakPolarHBondContact O-CB 3.3Å; L120-V123 PolarHBondContact O-N 2.85Å; V123-A125 VanDerWaalsContact C-N 3.35Å; V123-A125 PolarHBondContact O-N 2.62Å; V123-I126 PolarHBondContact O-N 2.88Å; V123-V127 HydrophobicContact CG1-CG2 4.46Å; V123-V127 WeakPolarHBondContact O-CB 3.03Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.4Å; V123-V127 PolarHBondContact O-N 3.36Å |
| 124 | Y | 98.6 | Very high | 97.8 | Very high | 111 Ų | 111 | 55.3 Ų | 55.3 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 177.2 | 174.2 | -96.8 | 0 | 0 | 0 | 112.1 | L120 V121 L122 I126 V127 K128 K130 Y132 | L120-Y124 PolarHBondContact O-N 3.18Å; V121-Y124 WeakPolarHBondContact O-CB 3.46Å; V121-Y124 PolarHBondContact O-N 3.28Å; L122-Y124 VanDerWaalsContact C-N 3.28Å; L122-Y124 PolarHBondContact O-N 2.91Å; Y124-I126 VanDerWaalsContact C-N 3.33Å; Y124-I126 PolarHBondContact O-N 2.83Å; Y124-V127 PolarHBondContact O-N 3.2Å; Y124-K128 HydrophobicContact CD2-CG 3.84Å; Y124-K128 HydrophobicContact CE1-CG 4.5Å; Y124-K128 HydrophobicContact CE2-CB 4.41Å; Y124-K128 HydrophobicContact CE2-CG 3.52Å; Y124-K128 HydrophobicContact CG-CG 4.45Å; Y124-K128 WeakPolarHBondContact O-CB 3.39Å; Y124-K128 WeakPolarHBondContact O-CG 3.3Å; Y124-K128 PolarHBondContact O-N 2.83Å; Y124-K130 HydrophobicContact CE1-CG 4.18Å; Y124-Y132 WeakPolarHBondContact CE1-OH 3.33Å |
| 125 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V121 L122 V123 D129 K130 Y132 R133 | V121-A125 WeakPolarHBondContact O-CB 3.35Å; V121-A125 PolarHBondContact O-N 3.33Å; L122-A125 WeakPolarHBondContact O-CB 3.38Å; L122-A125 PolarHBondContact O-N 3.26Å; L122-A125 VanDerWaalsContact O-N 3.13Å; V123-A125 VanDerWaalsContact C-N 3.35Å; V123-A125 PolarHBondContact O-N 2.62Å; A125-D129 WeakPolarHBondContact O-CA 3.43Å; A125-D129 PolarHBondContact O-N 3.12Å; A125-D129 VanDerWaalsContact O-N 3.13Å; A125-K130 HydrophobicContact CB-CB 4.06Å; A125-K130 PolarHBondContact O-N 3.06Å; A125-Y132 HydrophobicContact CB-CD2 4.04Å; A125-Y132 HydrophobicContact CB-CE2 3.68Å; A125-R133 HydrophobicContact CB-CB 3.99Å; A125-R133 HydrophobicContact CB-CG 4.5Å |
| 126 | I | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.4 | -51.4 | 175.7 | -68.2 | 168.7 | 0 | 0 | 0 | 110.4 | D46 V49 L50 L53 L122 V123 Y124 K128 D129 R133 | D46-I126 HydrophobicContact CB-CG2 3.95Å; V49-I126 HydrophobicContact CB-CD1 4.39Å; V49-I126 HydrophobicContact CG1-CD1 3.67Å; L50-I126 HydrophobicContact CD1-CG2 4.21Å; L50-I126 HydrophobicContact CD2-CB 4.14Å; L50-I126 HydrophobicContact CD2-CD1 4.27Å; L50-I126 HydrophobicContact CD2-CG2 4.02Å; L50-I126 HydrophobicContact CG-CG2 4.06Å; L53-I126 HydrophobicContact CD1-CD1 3.57Å; L122-I126 HydrophobicContact CD1-CD1 4.16Å; L122-I126 HydrophobicContact CD1-CG1 4.15Å; L122-I126 HydrophobicContact CG-CD1 4.03Å; L122-I126 HydrophobicContact CG-CG1 4.48Å; L122-I126 WeakPolarHBondContact O-CG1 3.45Å; L122-I126 PolarHBondContact O-N 2.67Å; V123-I126 PolarHBondContact O-N 2.88Å; Y124-I126 VanDerWaalsContact C-N 3.33Å; Y124-I126 PolarHBondContact O-N 2.83Å; I126-K128 VanDerWaalsContact C-N 3.27Å; I126-K128 PolarHBondContact O-N 3.47Å; I126-D129 PolarHBondContact O-N 3.25Å; I126-R133 HydrophobicContact CG1-CG 3.88Å |
| 127 | V | 98.3 | Very high | 98.1 | Very high | 38 Ų | 38 | 59 Ų | 59 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -32.3 | -175.3 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | W38 L50 V123 Y124 | W38-V127 HydrophobicContact CB-CG2 4.4Å; L50-V127 HydrophobicContact CD1-CG2 4.03Å; L50-V127 HydrophobicContact CD2-CG2 4.14Å; V123-V127 HydrophobicContact CG1-CG2 4.46Å; V123-V127 WeakPolarHBondContact O-CB 3.03Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.4Å; V123-V127 PolarHBondContact O-N 3.36Å; Y124-V127 PolarHBondContact O-N 3.2Å |
| 128 | K | 98 | Very high | 98.2 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 11.6 | -178.6 | -59.1 | -60 | -173.7 | 179.2 | 0 | 114.1 | Y124 I126 K130 | Y124-K128 HydrophobicContact CD2-CG 3.84Å; Y124-K128 HydrophobicContact CE1-CG 4.5Å; Y124-K128 HydrophobicContact CE2-CB 4.41Å; Y124-K128 HydrophobicContact CE2-CG 3.52Å; Y124-K128 HydrophobicContact CG-CG 4.45Å; Y124-K128 WeakPolarHBondContact O-CB 3.39Å; Y124-K128 WeakPolarHBondContact O-CG 3.3Å; Y124-K128 PolarHBondContact O-N 2.83Å; I126-K128 VanDerWaalsContact C-N 3.27Å; I126-K128 PolarHBondContact O-N 3.47Å; K128-K130 HydrophobicContact CB-CD 4.2Å; K128-K130 HydrophobicContact CB-CG 4.08Å; K128-K130 PolarHBondContact O-N 3.08Å |
| 129 | D | 96.3 | Very high | 98.2 | Very high | 144 Ų | 144 | 58 Ų | 58 | 77% | 0.77 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 57.9 | 178.6 | -167.7 | 32.8 | 0 | 0 | 0 | 112.8 | A125 I126 | A125-D129 WeakPolarHBondContact O-CA 3.43Å; A125-D129 PolarHBondContact O-N 3.12Å; A125-D129 VanDerWaalsContact O-N 3.13Å; I126-D129 PolarHBondContact O-N 3.25Å |
| 130 | K | 98.1 | Very high | 98.2 | Very high | 72 Ų | 72 | 58 Ų | 58 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | trans | -90 | 136.5 | -177.3 | -59.5 | -58.1 | -171 | -170.1 | 0 | 111.2 | Y124 A125 K128 Y132 R133 | Y124-K130 HydrophobicContact CE1-CG 4.18Å; A125-K130 HydrophobicContact CB-CB 4.06Å; A125-K130 PolarHBondContact O-N 3.06Å; K128-K130 HydrophobicContact CB-CD 4.2Å; K128-K130 HydrophobicContact CB-CG 4.08Å; K128-K130 PolarHBondContact O-N 3.08Å; K130-Y132 HydrophobicContact CB-CD1 4.04Å; K130-Y132 HydrophobicContact CB-CD2 4.26Å; K130-Y132 HydrophobicContact CB-CE1 3.71Å; K130-Y132 HydrophobicContact CB-CE2 3.93Å; K130-Y132 HydrophobicContact CB-CG 4.32Å; K130-Y132 HydrophobicContact CD-CE1 4.41Å; K130-Y132 HydrophobicContact CG-CE1 4.05Å; K130-Y132 HydrophobicContact CG-CE2 4.35Å; K130-Y132 PolarHBondContact O-N 3.18Å; K130-Y132 VanDerWaalsContact O-N 3.12Å; K130-R133 VanDerWaalsContact O-CB 3.22Å; K130-R133 WeakPolarHBondContact O-CB 3.24Å; K130-R133 PolarHBondContact O-N 3.27Å | ||
| 131 | H | 95.9 | Very high | 98.2 | Very high | 179 Ų | 179 | 54 Ų | 54 | 83% | 0.829 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.7 | 179.9 | 64.4 | -89.3 | 0 | 0 | 0 | 113.9 | R133 | H131-R133 VanDerWaalsContact C-N 3.29Å; H131-R133 PolarHBondContact O-N 3.43Å |
| 132 | Y | 97.7 | Very high | 98.2 | Very high | 74 Ų | 74 | 55 Ų | 55 | 29% | 0.29 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1.1 | 178.9 | 57.7 | -105.8 | 0 | 0 | 0 | 114.1 | V121 Y124 A125 K130 H134 F135 V136 | V121-Y132 HydrophobicContact CG1-CE2 4.38Å; Y124-Y132 WeakPolarHBondContact CE1-OH 3.33Å; A125-Y132 HydrophobicContact CB-CD2 4.04Å; A125-Y132 HydrophobicContact CB-CE2 3.68Å; K130-Y132 HydrophobicContact CB-CD1 4.04Å; K130-Y132 HydrophobicContact CB-CD2 4.26Å; K130-Y132 HydrophobicContact CB-CE1 3.71Å; K130-Y132 HydrophobicContact CB-CE2 3.93Å; K130-Y132 HydrophobicContact CB-CG 4.32Å; K130-Y132 HydrophobicContact CD-CE1 4.41Å; K130-Y132 HydrophobicContact CG-CE1 4.05Å; K130-Y132 HydrophobicContact CG-CE2 4.35Å; K130-Y132 PolarHBondContact O-N 3.18Å; K130-Y132 VanDerWaalsContact O-N 3.12Å; Y132-H134 VanDerWaalsContact C-N 3.34Å; Y132-H134 PolarHBondContact O-N 2.7Å; Y132-F135 WeakPolarHBondContact O-CB 3.41Å; Y132-F135 PolarHBondContact O-N 3.24Å; Y132-F135 VanDerWaalsContact O-N 3.11Å; Y132-V136 HydrophobicContact CD2-CG2 3.85Å; Y132-V136 PolarHBondContact O-N 2.99Å; Y132-V136 VanDerWaalsContact O-N 3.11Å |
| 133 | R | 98 | Very high | 98.1 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 11% | 0.106 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -45.9 | -55.4 | 179.2 | 172.4 | -163.7 | 162.9 | 171 | 4 | 112.3 | D46 L122 A125 I126 K130 H131 F135 V136 Q137 | D46-R133 IonicContact OD1-CZ 2.88Å; D46-R133 IonicContact OD1-NH1 3.5Å; D46-R133 PolarHBondContact OD1-NH1 2.86Å; D46-R133 IonicContact OD1-NH2 3.83Å; D46-R133 PolarHBondContact OD1-NH2 2.92Å; D46-R133 IonicContact OD2-NH1 2.69Å; D46-R133 PolarHBondContact OD2-NH1 2.96Å; L122-R133 HydrophobicContact CD1-CG 3.81Å; L122-R133 VanDerWaalsContact CD1-O 3.3Å; L122-R133 WeakPolarHBondContact CD1-O 3.49Å; A125-R133 HydrophobicContact CB-CB 3.99Å; A125-R133 HydrophobicContact CB-CG 4.5Å; I126-R133 HydrophobicContact CG1-CG 3.88Å; K130-R133 VanDerWaalsContact O-CB 3.22Å; K130-R133 WeakPolarHBondContact O-CB 3.24Å; K130-R133 PolarHBondContact O-N 3.27Å; H131-R133 VanDerWaalsContact C-N 3.29Å; H131-R133 PolarHBondContact O-N 3.43Å; R133-F135 VanDerWaalsContact C-N 3.29Å; R133-F135 PolarHBondContact O-N 3.44Å; R133-V136 PolarHBondContact O-N 2.76Å; R133-Q137 WeakPolarHBondContact O-CB 3.38Å; R133-Q137 PolarHBondContact O-N 3.44Å |
| 134 | H | 97.9 | Very high | 98 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.2 | -25.5 | -174.1 | -73.3 | -61.7 | 0 | 0 | 0 | 113.2 | Y132 I138 S193 S196 | Y132-H134 VanDerWaalsContact C-N 3.34Å; Y132-H134 PolarHBondContact O-N 2.7Å; H134-I138 WeakPolarHBondContact O-CB 3.4Å; H134-I138 WeakPolarHBondContact O-CD1 3.44Å; H134-I138 WeakPolarHBondContact O-CG1 3.31Å; H134-I138 PolarHBondContact O-N 2.88Å; H134-S193 WeakPolarHBondContact ND1-CA 3.19Å; H134-S193 PolarHBondContact ND1-OG 3.44Å; H134-S196 PolarHBondContact CE1-OG 2.99Å; H134-S196 VanDerWaalsContact CE1-OG 3.24Å; H134-S196 VanDerWaalsContact NE2-CB 3.28Å; H134-S196 WeakPolarHBondContact NE2-CB 3.32Å; H134-S196 PolarHBondContact NE2-OG 3.34Å |
| 135 | F | 98.4 | Very high | 98 | Very high | 149 Ų | 149 | 53.5 Ų | 53.5 | 65% | 0.654 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.5 | -53 | 170.8 | 173 | -100.1 | 0 | 0 | 0 | 110.2 | Y132 R133 Q137 I138 T139 | Y132-F135 WeakPolarHBondContact O-CB 3.41Å; Y132-F135 PolarHBondContact O-N 3.24Å; Y132-F135 VanDerWaalsContact O-N 3.11Å; R133-F135 VanDerWaalsContact C-N 3.29Å; R133-F135 PolarHBondContact O-N 3.44Å; F135-Q137 VanDerWaalsContact C-N 3.32Å; F135-Q137 PolarHBondContact O-N 3.32Å; F135-I138 PolarHBondContact O-N 3.34Å; F135-T139 PolarHBondContact O-N 3.42Å; F135-T139 PolarHBondContact O-OG1 3.08Å; F135-T139 VanDerWaalsContact O-OG1 3.07Å |
| 136 | V | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178.7 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | L118 V121 L122 Y132 R133 I138 T139 L140 | L118-V136 HydrophobicContact CB-CG1 4.46Å; L118-V136 HydrophobicContact CD2-CG1 4Å; V121-V136 HydrophobicContact CB-CG1 4.41Å; V121-V136 HydrophobicContact CG1-CG1 4.11Å; V121-V136 HydrophobicContact CG1-CG2 4.11Å; L122-V136 HydrophobicContact CB-CG1 3.86Å; L122-V136 HydrophobicContact CD1-CB 4.39Å; Y132-V136 HydrophobicContact CD2-CG2 3.85Å; Y132-V136 PolarHBondContact O-N 2.99Å; Y132-V136 VanDerWaalsContact O-N 3.11Å; R133-V136 PolarHBondContact O-N 2.76Å; V136-I138 PolarHBondContact O-N 3.24Å; V136-T139 PolarHBondContact O-N 3.41Å; V136-L140 WeakPolarHBondContact O-CB 3.23Å; V136-L140 PolarHBondContact O-N 2.71Å |
| 137 | Q | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 175.9 | -172.5 | 168.9 | -50.7 | 0 | 0 | 112.6 | L122 R133 F135 C141 L189 S193 | L122-Q137 HydrophobicContact CD1-CB 3.87Å; L122-Q137 HydrophobicContact CD2-CB 3.75Å; L122-Q137 HydrophobicContact CD2-CG 3.98Å; L122-Q137 HydrophobicContact CG-CB 4.5Å; R133-Q137 WeakPolarHBondContact O-CB 3.38Å; R133-Q137 PolarHBondContact O-N 3.44Å; F135-Q137 VanDerWaalsContact C-N 3.32Å; F135-Q137 PolarHBondContact O-N 3.32Å; Q137-C141 WeakPolarHBondContact O-CB 3.06Å; Q137-C141 PolarHBondContact O-N 3.3Å; Q137-C141 VanDerWaalsContact O-N 3.09Å; Q137-C141 PolarHBondContact O-SG 2.84Å; Q137-L189 HydrophobicContact CG-CB 4.08Å; Q137-L189 PolarHBondContact NE2-O 3.23Å; Q137-S193 PolarHBondContact NE2-OG 3.35Å |
| 138 | I | 98.7 | Very high | 97.7 | Very high | 56 Ų | 56 | 59.6 Ų | 59.6 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.3 | -70.2 | 164 | 0 | 0 | 0 | 110.5 | H134 F135 V136 C141 V142 L190 L197 | H134-I138 WeakPolarHBondContact O-CB 3.4Å; H134-I138 WeakPolarHBondContact O-CD1 3.44Å; H134-I138 WeakPolarHBondContact O-CG1 3.31Å; H134-I138 PolarHBondContact O-N 2.88Å; F135-I138 PolarHBondContact O-N 3.34Å; V136-I138 PolarHBondContact O-N 3.24Å; I138-C141 PolarHBondContact O-N 2.78Å; I138-V142 HydrophobicContact CG2-CG2 4.34Å; I138-V142 WeakPolarHBondContact O-CB 3.27Å; I138-V142 VanDerWaalsContact O-CG2 3.29Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 2.89Å; I138-L190 HydrophobicContact CB-CD2 4.16Å; I138-L190 HydrophobicContact CG1-CD2 4.03Å; I138-L190 HydrophobicContact CG2-CD2 4.03Å; I138-L197 HydrophobicContact CD1-CD1 3.89Å |
| 139 | T | 98.6 | Very high | 97.7 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.3 | -52.7 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | L118 F135 V136 C141 V142 C143 | L118-T139 HydrophobicContact CD1-CG2 3.84Å; L118-T139 HydrophobicContact CD2-CG2 4.44Å; F135-T139 PolarHBondContact O-N 3.42Å; F135-T139 PolarHBondContact O-OG1 3.08Å; F135-T139 VanDerWaalsContact O-OG1 3.07Å; V136-T139 PolarHBondContact O-N 3.41Å; T139-C141 PolarHBondContact O-N 3.11Å; T139-V142 PolarHBondContact O-N 3.06Å; T139-C143 PolarHBondContact O-N 3.25Å; T139-C143 VanDerWaalsContact O-N 3.08Å; T139-C143 PolarHBondContact O-SG 2.87Å; T139-C143 VanDerWaalsContact O-SG 3.41Å |
| 140 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.4 | -52 | 177.9 | 176.9 | 62.3 | 0 | 0 | 0 | 111.1 | L53 D115 L118 A119 L122 V136 V142 C143 E144 | L53-L140 HydrophobicContact CD2-CD2 3.62Å; D115-L140 HydrophobicContact CB-CD1 3.66Å; L118-L140 HydrophobicContact CB-CB 4.19Å; L118-L140 HydrophobicContact CB-CD1 4.02Å; A119-L140 HydrophobicContact CB-CD2 4.14Å; L122-L140 HydrophobicContact CD2-CD2 4.06Å; V136-L140 WeakPolarHBondContact O-CB 3.23Å; V136-L140 PolarHBondContact O-N 2.71Å; L140-V142 VanDerWaalsContact C-N 3.29Å; L140-V142 PolarHBondContact O-N 3.42Å; L140-C143 WeakPolarHBondContact O-CB 3.44Å; L140-C143 PolarHBondContact O-N 3.28Å; L140-E144 HydrophobicContact CD1-CG 4.15Å; L140-E144 HydrophobicContact CG-CG 4.35Å; L140-E144 WeakPolarHBondContact O-CG 3.44Å; L140-E144 PolarHBondContact O-N 3.43Å |
| 141 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -30.4 | -176.7 | -65.4 | 0 | 0 | 0 | 0 | 114.1 | Q137 I138 T139 E144 L145 P186 L189 L190 | Q137-C141 WeakPolarHBondContact O-CB 3.06Å; Q137-C141 PolarHBondContact O-N 3.3Å; Q137-C141 VanDerWaalsContact O-N 3.09Å; Q137-C141 PolarHBondContact O-SG 2.84Å; I138-C141 PolarHBondContact O-N 2.78Å; T139-C141 PolarHBondContact O-N 3.11Å; C141-E144 VanDerWaalsContact CA-OE2 3.28Å; C141-E144 WeakPolarHBondContact CA-OE2 3.32Å; C141-L145 WeakPolarHBondContact O-CB 3.49Å; C141-L145 WeakPolarHBondContact O-CG 3.06Å; C141-L145 PolarHBondContact O-N 3.34Å; C141-L145 VanDerWaalsContact O-N 3.1Å; C141-P186 HydrophobicContact CB-CB 3.77Å; C141-L189 VanDerWaalsContact SG-CB 3.59Å; C141-L190 HydrophobicContact CB-CD1 4.13Å; C141-L190 HydrophobicContact CB-CD2 3.81Å; C141-L190 HydrophobicContact CB-CG 3.63Å |
| 142 | V | 98.3 | Very high | 97.5 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 47% | 0.473 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.8 | -41.2 | 173.1 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | I138 T139 L140 Y146 L190 | I138-V142 HydrophobicContact CG2-CG2 4.34Å; I138-V142 WeakPolarHBondContact O-CB 3.27Å; I138-V142 VanDerWaalsContact O-CG2 3.29Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 2.89Å; T139-V142 PolarHBondContact O-N 3.06Å; L140-V142 VanDerWaalsContact C-N 3.29Å; L140-V142 PolarHBondContact O-N 3.42Å; V142-Y146 WeakPolarHBondContact O-CB 3.3Å; V142-Y146 PolarHBondContact O-N 3.37Å; V142-L190 HydrophobicContact CG2-CD2 4.43Å |
| 143 | C | 97.3 | Very high | 97.4 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -49.9 | 175.3 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | D115 T139 L140 L145 Y146 G147 | D115-C143 WeakPolarHBondContact OD1-CB 3.45Å; D115-C143 WeakPolarHBondContact OD2-CB 3.2Å; T139-C143 PolarHBondContact O-N 3.25Å; T139-C143 VanDerWaalsContact O-N 3.08Å; T139-C143 PolarHBondContact O-SG 2.87Å; T139-C143 VanDerWaalsContact O-SG 3.41Å; L140-C143 WeakPolarHBondContact O-CB 3.44Å; L140-C143 PolarHBondContact O-N 3.28Å; C143-L145 PolarHBondContact O-N 2.83Å; C143-Y146 PolarHBondContact O-N 3.5Å; C143-G147 PolarHBondContact O-N 3.37Å |
| 144 | E | 97.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57 | -49.8 | 177.8 | -68.2 | 168.9 | 127.4 | 0 | 0 | 111.7 | L140 C141 G147 G148 P186 | L140-E144 HydrophobicContact CD1-CG 4.15Å; L140-E144 HydrophobicContact CG-CG 4.35Å; L140-E144 WeakPolarHBondContact O-CG 3.44Å; L140-E144 PolarHBondContact O-N 3.43Å; C141-E144 VanDerWaalsContact CA-OE2 3.28Å; C141-E144 WeakPolarHBondContact CA-OE2 3.32Å; E144-G147 PolarHBondContact O-N 2.77Å; E144-G148 PolarHBondContact O-N 3.35Å; E144-P186 HydrophobicContact CB-CB 4.43Å; E144-P186 HydrophobicContact CB-CG 4.03Å; E144-P186 HydrophobicContact CG-CG 4.47Å; E144-P186 WeakPolarHBondContact OE2-CB 3.11Å; E144-P186 WeakPolarHBondContact OE2-CG 3.5Å |
| 145 | L | 98.1 | Very high | 97.2 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.9 | -40.2 | -178.7 | -71.5 | 174.5 | 0 | 0 | 0 | 112.6 | C141 C143 W149 V183 P186 L190 | C141-L145 WeakPolarHBondContact O-CB 3.49Å; C141-L145 WeakPolarHBondContact O-CG 3.06Å; C141-L145 PolarHBondContact O-N 3.34Å; C141-L145 VanDerWaalsContact O-N 3.1Å; C143-L145 PolarHBondContact O-N 2.83Å; L145-W149 WeakPolarHBondContact O-CB 3.29Å; L145-W149 PolarHBondContact O-N 3.23Å; L145-V183 HydrophobicContact CD2-CB 4.33Å; L145-V183 HydrophobicContact CD2-CG1 4.14Å; L145-P186 HydrophobicContact CD1-CB 4.36Å; L145-P186 HydrophobicContact CD2-CB 4.18Å; L145-P186 HydrophobicContact CG-CB 3.95Å; L145-L190 HydrophobicContact CD1-CD1 3.56Å |
| 146 | Y | 97.6 | Very high | 97 | Very high | 141 Ų | 141 | 45.6 Ų | 45.6 | 55% | 0.553 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.5 | -42.5 | 177.1 | -177.9 | -98.4 | 0 | 0 | 0 | 111.2 | V142 C143 W149 M150 | V142-Y146 WeakPolarHBondContact O-CB 3.3Å; V142-Y146 PolarHBondContact O-N 3.37Å; C143-Y146 PolarHBondContact O-N 3.5Å; Y146-W149 WeakPolarHBondContact O-CB 3.35Å; Y146-W149 PolarHBondContact O-N 2.79Å; Y146-M150 HydrophobicContact CD1-CG 4.04Å; Y146-M150 HydrophobicContact CD2-CG 4.45Å; Y146-M150 HydrophobicContact CE1-CG 3.57Å; Y146-M150 HydrophobicContact CE2-CG 4.03Å; Y146-M150 HydrophobicContact CE2-SD 4.3Å; Y146-M150 HydrophobicContact CG-CG 4.45Å; Y146-M150 WeakPolarHBondContact O-CB 3.28Å; Y146-M150 WeakPolarHBondContact O-CG 3.21Å; Y146-M150 PolarHBondContact O-N 3.33Å |
| 147 | G | 96.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -47.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | C143 E144 W149 M150 T151 | C143-G147 PolarHBondContact O-N 3.37Å; E144-G147 PolarHBondContact O-N 2.77Å; G147-W149 VanDerWaalsContact C-N 3.34Å; G147-W149 PolarHBondContact O-N 2.87Å; G147-M150 PolarHBondContact O-N 3.42Å; G147-T151 WeakPolarHBondContact O-CB 3.46Å; G147-T151 PolarHBondContact O-N 2.77Å; G147-T151 PolarHBondContact O-OG1 3.28Å |
| 148 | G | 95.4 | Very high | 96.7 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E144 T151 F152 | E144-G148 PolarHBondContact O-N 3.35Å; G148-T151 PolarHBondContact O-N 3.24Å; G148-F152 VanDerWaalsContact O-CD2 3.29Å; G148-F152 WeakPolarHBondContact O-CD2 3.11Å; G148-F152 PolarHBondContact O-N 3.36Å |
| 149 | W | 96.4 | Very high | 96.5 | Very high | 157 Ų | 157 | 55.1 Ų | 55.1 | 60% | 0.595 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 174.5 | -175.6 | -97.6 | 0 | 0 | 0 | 112.2 | L145 Y146 G147 T151 F152 C153 | L145-W149 WeakPolarHBondContact O-CB 3.29Å; L145-W149 PolarHBondContact O-N 3.23Å; Y146-W149 WeakPolarHBondContact O-CB 3.35Å; Y146-W149 PolarHBondContact O-N 2.79Å; G147-W149 VanDerWaalsContact C-N 3.34Å; G147-W149 PolarHBondContact O-N 2.87Å; W149-T151 VanDerWaalsContact C-N 3.25Å; W149-T151 PolarHBondContact O-N 3.06Å; W149-F152 PolarHBondContact O-N 3.37Å; W149-C153 HydrophobicContact CD2-CB 3.97Å; W149-C153 VanDerWaalsContact CE2-SG 3.53Å; W149-C153 HydrophobicContact CG-CB 4.19Å; W149-C153 HydrophobicContact CZ2-CB 4.04Å; W149-C153 WeakPolarHBondContact CZ2-SG 3.46Å; W149-C153 WeakPolarHBondContact O-CB 3.36Å; W149-C153 PolarHBondContact O-N 2.83Å |
| 150 | M | 96.7 | Very high | 96.4 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.3 | -21.6 | -179.4 | -70.1 | -55.3 | -58.3 | 0 | 0 | 113.4 | L107 Y146 G147 P154 | L107-M150 HydrophobicContact CD1-CB 3.69Å; L107-M150 HydrophobicContact CD2-CB 3.87Å; L107-M150 HydrophobicContact CG-CB 4.41Å; Y146-M150 HydrophobicContact CD1-CG 4.04Å; Y146-M150 HydrophobicContact CD2-CG 4.45Å; Y146-M150 HydrophobicContact CE1-CG 3.57Å; Y146-M150 HydrophobicContact CE2-CG 4.03Å; Y146-M150 HydrophobicContact CE2-SD 4.3Å; Y146-M150 HydrophobicContact CG-CG 4.45Å; Y146-M150 WeakPolarHBondContact O-CB 3.28Å; Y146-M150 WeakPolarHBondContact O-CG 3.21Å; Y146-M150 PolarHBondContact O-N 3.33Å; G147-M150 PolarHBondContact O-N 3.42Å; M150-P154 HydrophobicContact CE-CG 4.11Å; M150-P154 WeakPolarHBondContact O-CD 3.21Å; M150-P154 VanDerWaalsContact O-CG 3.29Å; M150-P154 WeakPolarHBondContact O-CG 3.45Å |
| 151 | T | 95.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.5 | -46.4 | 172.7 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | R96 I104 G147 G148 W149 | R96-T151 PolarHBondContact NH1-O 3.46Å; R96-T151 PolarHBondContact NH2-O 2.9Å; I104-T151 HydrophobicContact CD1-CG2 3.85Å; G147-T151 WeakPolarHBondContact O-CB 3.46Å; G147-T151 PolarHBondContact O-N 2.77Å; G147-T151 PolarHBondContact O-OG1 3.28Å; G148-T151 PolarHBondContact O-N 3.24Å; W149-T151 VanDerWaalsContact C-N 3.25Å; W149-T151 PolarHBondContact O-N 3.06Å |
| 152 | F | 95.4 | Very high | 96.1 | Very high | 43 Ų | 43 | 60.1 Ų | 60.1 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -102.2 | -35.3 | -171.2 | -63.4 | -66.7 | 0 | 0 | 0 | 114.8 | G148 W149 D155 W156 L163 L175 N179 | G148-F152 VanDerWaalsContact O-CD2 3.29Å; G148-F152 WeakPolarHBondContact O-CD2 3.11Å; G148-F152 PolarHBondContact O-N 3.36Å; W149-F152 PolarHBondContact O-N 3.37Å; F152-D155 PolarHBondContact O-N 2.87Å; F152-W156 WeakPolarHBondContact O-CB 3.38Å; F152-W156 PolarHBondContact O-N 3.27Å; F152-L163 HydrophobicContact CD1-CD1 4.2Å; F152-L163 HydrophobicContact CD1-CD2 4.48Å; F152-L163 HydrophobicContact CE1-CD2 4.42Å; F152-L175 HydrophobicContact CE1-CD2 3.94Å; F152-N179 HydrophobicContact CE2-CB 3.68Å; F152-N179 VanDerWaalsContact CE2-OD1 3.3Å; F152-N179 WeakPolarHBondContact CE2-OD1 3.42Å; F152-N179 HydrophobicContact CZ-CB 4.03Å; F152-N179 WeakPolarHBondContact CZ-ND2 3.29Å; F152-N179 VanDerWaalsContact CZ-OD1 3.27Å; F152-N179 WeakPolarHBondContact CZ-OD1 3.34Å |
| 153 | C | 95.9 | Very high | 96 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 10% | 0.101 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | -172.4 | -175.4 | 0 | 0 | 0 | 0 | 113.3 | W149 D155 W156 L157 | W149-C153 HydrophobicContact CD2-CB 3.97Å; W149-C153 VanDerWaalsContact CE2-SG 3.53Å; W149-C153 HydrophobicContact CG-CB 4.19Å; W149-C153 HydrophobicContact CZ2-CB 4.04Å; W149-C153 WeakPolarHBondContact CZ2-SG 3.46Å; W149-C153 WeakPolarHBondContact O-CB 3.36Å; W149-C153 PolarHBondContact O-N 2.83Å; C153-D155 VanDerWaalsContact C-N 3.32Å; C153-D155 PolarHBondContact O-N 2.97Å; C153-W156 PolarHBondContact O-N 3.39Å; C153-L157 VanDerWaalsContact O-CG 3.28Å; C153-L157 WeakPolarHBondContact O-CG 3.5Å; C153-L157 PolarHBondContact O-N 2.96Å |
| 154 | P | 95.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 177.6 | -25.5 | 36.4 | 0 | 0 | 0 | 112.9 | M150 L157 A158 | M150-P154 HydrophobicContact CE-CG 4.11Å; M150-P154 WeakPolarHBondContact O-CD 3.21Å; M150-P154 VanDerWaalsContact O-CG 3.29Å; M150-P154 WeakPolarHBondContact O-CG 3.45Å; P154-L157 PolarHBondContact O-N 3.26Å; P154-A158 PolarHBondContact O-N 3.3Å |
| 155 | D | 94.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 179.5 | -159.5 | 66.9 | 0 | 0 | 0 | 111.5 | R96 F152 C153 L157 A158 G159 S160 N162 L163 | R96-D155 IonicContact NE-OD1 3.18Å; F152-D155 PolarHBondContact O-N 2.87Å; C153-D155 VanDerWaalsContact C-N 3.32Å; C153-D155 PolarHBondContact O-N 2.97Å; D155-L157 PolarHBondContact O-N 3.29Å; D155-A158 CarbonylContact O-C 3.57Å; D155-A158 WeakPolarHBondContact O-CA 3.36Å; D155-A158 WeakPolarHBondContact O-CB 3.37Å; D155-A158 PolarHBondContact O-N 3.18Å; D155-G159 PolarHBondContact O-N 2.89Å; D155-S160 VanDerWaalsContact O-CA 3.3Å; D155-S160 WeakPolarHBondContact O-CA 3.34Å; D155-S160 PolarHBondContact O-N 2.75Å; D155-S160 VanDerWaalsContact OD2-CA 3.23Å; D155-S160 WeakPolarHBondContact OD2-CA 3.47Å; D155-N162 PolarHBondContact OD1-ND2 3.05Å; D155-N162 PolarHBondContact OD2-N 3.43Å; D155-L163 WeakPolarHBondContact OD2-CG 3.47Å |
| 156 | W | 94.4 | Very high | 95.2 | Very high | 164 Ų | 164 | 66.2 Ų | 66.2 | 62% | 0.621 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.3 | -43.7 | 173.3 | 174.1 | 53.3 | 0 | 0 | 0 | 112.8 | F152 C153 A158 G159 S160 | F152-W156 WeakPolarHBondContact O-CB 3.38Å; F152-W156 PolarHBondContact O-N 3.27Å; C153-W156 PolarHBondContact O-N 3.39Å; W156-A158 PolarHBondContact O-N 3Å; W156-G159 PolarHBondContact O-N 3.38Å; W156-S160 WeakPolarHBondContact CA-OG 3.44Å |
| 157 | L | 95.8 | Very high | 94.8 | Very high | 133 Ų | 133 | 61.6 Ų | 61.6 | 70% | 0.696 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.6 | -28.3 | 174.8 | -69.6 | 173.6 | 0 | 0 | 0 | 112.4 | C153 P154 D155 G159 | C153-L157 VanDerWaalsContact O-CG 3.28Å; C153-L157 WeakPolarHBondContact O-CG 3.5Å; C153-L157 PolarHBondContact O-N 2.96Å; P154-L157 PolarHBondContact O-N 3.26Å; D155-L157 PolarHBondContact O-N 3.29Å; L157-G159 VanDerWaalsContact C-N 3.27Å |
| 158 | A | 95.6 | Very high | 94.6 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P154 D155 W156 P161 | P154-A158 PolarHBondContact O-N 3.3Å; D155-A158 CarbonylContact O-C 3.57Å; D155-A158 WeakPolarHBondContact O-CA 3.36Å; D155-A158 WeakPolarHBondContact O-CB 3.37Å; D155-A158 PolarHBondContact O-N 3.18Å; W156-A158 PolarHBondContact O-N 3Å; A158-P161 HydrophobicContact CB-CG 4.41Å |
| 159 | G | 94.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 67.1 Ų | 67.1 | 66% | 0.66 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 19.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D155 W156 L157 | D155-G159 PolarHBondContact O-N 2.89Å; W156-G159 PolarHBondContact O-N 3.38Å; L157-G159 VanDerWaalsContact C-N 3.27Å |
| 160 | S | 94.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 60.2 Ų | 60.2 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | trans | 55.9 | 45.8 | 178.8 | -63.5 | 0 | 0 | 0 | 0 | 115.2 | D155 W156 N162 L163 | D155-S160 VanDerWaalsContact O-CA 3.3Å; D155-S160 WeakPolarHBondContact O-CA 3.34Å; D155-S160 PolarHBondContact O-N 2.75Å; D155-S160 VanDerWaalsContact OD2-CA 3.23Å; D155-S160 WeakPolarHBondContact OD2-CA 3.47Å; W156-S160 WeakPolarHBondContact CA-OG 3.44Å; S160-N162 PolarHBondContact O-N 3.29Å; S160-L163 PolarHBondContact O-N 3.06Å | ||
| 161 | P | 95.5 | Very high | 94 | Very high | 83 Ų | 83 | 59.8 Ų | 59.8 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29.4 | -174.4 | 27.6 | -35.1 | 0 | 0 | 0 | 113 | A158 | A158-P161 HydrophobicContact CB-CG 4.41Š|
| 162 | N | 96.3 | Very high | 94 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -13.4 | -176.5 | -66 | -80.7 | 0 | 0 | 0 | 113.3 | D94 E95 R96 D155 S160 | D94-N162 WeakPolarHBondContact CA-O 3.4Å; E95-N162 HydrophobicContact CG-CB 3.76Å; E95-N162 VanDerWaalsContact CG-OD1 3.26Å; E95-N162 WeakPolarHBondContact CG-OD1 3.33Å; E95-N162 PolarHBondContact N-O 2.7Å; E95-N162 VanDerWaalsContact N-O 3.12Å; E95-N162 PolarHBondContact OE1-OD1 3.16Å; R96-N162 HydrophobicContact CG-CB 3.73Å; R96-N162 VanDerWaalsContact CG-CG 3.47Å; D155-N162 PolarHBondContact OD1-ND2 3.05Å; D155-N162 PolarHBondContact OD2-N 3.43Å; S160-N162 PolarHBondContact O-N 3.29Å |
| 163 | L | 95.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -97.3 | 126.5 | -173.7 | -61.3 | 176.8 | 0 | 0 | 0 | 111.7 | A93 D94 F152 D155 S160 T165 L175 | A93-L163 WeakPolarHBondContact O-CA 3.45Å; D94-L163 HydrophobicContact CB-CD2 3.66Å; D94-L163 VanDerWaalsContact CG-CD2 3.43Å; F152-L163 HydrophobicContact CD1-CD1 4.2Å; F152-L163 HydrophobicContact CD1-CD2 4.48Å; F152-L163 HydrophobicContact CE1-CD2 4.42Å; D155-L163 WeakPolarHBondContact OD2-CG 3.47Å; S160-L163 PolarHBondContact O-N 3.06Å; L163-T165 HydrophobicContact CB-CG2 4.1Å; L163-T165 PolarHBondContact O-N 3.47Å; L163-L175 HydrophobicContact CB-CD1 4.21Å; L163-L175 HydrophobicContact CD2-CD1 4.18Å; L163-L175 HydrophobicContact CD2-CD2 3.88Å |
| 164 | N | 94 | Very high | 93.7 | Very high | 56 Ų | 56 | 65.7 Ų | 65.7 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | trans | -81.2 | 83.9 | 173 | -167.2 | -20.1 | 0 | 0 | 0 | 111.4 | K92 A93 N166 H167 Y170 | K92-N164 VanDerWaalsContact O-CB 3.24Å; K92-N164 WeakPolarHBondContact O-CB 3.25Å; K92-N164 PolarHBondContact O-ND2 3.31Å; A93-N164 PolarHBondContact O-N 3.47Å; N164-N166 PolarHBondContact OD1-N 2.84Å; N164-H167 PolarHBondContact OD1-N 3.08Å; N164-Y170 HydrophobicContact CB-CD2 4.1Å; N164-Y170 WeakPolarHBondContact ND2-CD2 3.26Å | ||
| 165 | T | 92 | Very high | 93.7 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 39% | 0.387 | 34% | 0.338 | S | S | . | . | trans | -84.3 | -8.7 | 179.7 | 58 | 0 | 0 | 0 | 0 | 113.8 | L163 L171 | L163-T165 HydrophobicContact CB-CG2 4.1Å; L163-T165 PolarHBondContact O-N 3.47Å; T165-L171 HydrophobicContact CG2-CD1 4.3Å; T165-L171 WeakPolarHBondContact O-CD2 3.28Å | ||
| 166 | N | 90.4 | Very high | 93.7 | Very high | 156 Ų | 156 | 66.7 Ų | 66.7 | 83% | 0.834 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -86.6 | -24.1 | -177.3 | -67.9 | -56.1 | 0 | 0 | 0 | 113.3 | N164 | N164-N166 PolarHBondContact OD1-N 2.84Š|
| 167 | H | 89.8 | Confident | 93.8 | Very high | 44 Ų | 44 | 64.3 Ų | 64.3 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -92.2 | 122 | -179.6 | -169.9 | -101.3 | 0 | 0 | 0 | 110.9 | N164 L169 Y170 L171 | N164-H167 PolarHBondContact OD1-N 3.08Å; H167-L169 PolarHBondContact O-N 3.39Å; H167-Y170 HydrophobicContact CB-CD2 3.43Å; H167-Y170 VanDerWaalsContact CB-CD2 3.43Å; H167-Y170 HydrophobicContact CB-CE2 3.96Å; H167-Y170 HydrophobicContact CB-CG 4.01Å; H167-Y170 AromaticContact CE1-CZ 3.87Å; H167-Y170 AromaticContact CG-CD2 3.55Å; H167-Y170 AromaticContact CG-CE2 3.69Å; H167-Y170 AromaticContact ND1-CD1 3.62Å; H167-Y170 AromaticContact ND1-CD2 3.33Å; H167-Y170 VanDerWaalsContact ND1-CD2 3.33Å; H167-Y170 WeakPolarHBondContact ND1-CD2 3.15Å; H167-Y170 AromaticContact ND1-CE1 3.73Å; H167-Y170 AromaticContact ND1-CE2 3.44Å; H167-Y170 WeakPolarHBondContact ND1-CE2 3.24Å; H167-Y170 AromaticContact ND1-CG 3.4Å; H167-Y170 AromaticContact ND1-CZ 3.63Å; H167-Y170 PolarHBondContact O-N 2.83Å; H167-Y170 VanDerWaalsContact O-N 3.15Å; H167-L171 PolarHBondContact O-N 3.45Å |
| 168 | W | 91.7 | Very high | 93.7 | Very high | 147 Ų | 147 | 60 Ų | 60 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -55.5 | -45.1 | -172.6 | 179.3 | 92.2 | 0 | 0 | 0 | 113.6 | W172 I173 | W168-W172 AromaticContact CD1-CD1 3.38Å; W168-W172 AromaticContact CD1-NE1 3.98Å; W168-W172 AromaticContact CG-CD1 3.95Å; W168-W172 AromaticContact NE1-CD1 3.48Å; W168-W172 WeakPolarHBondContact O-CB 3.18Å; W168-W172 PolarHBondContact O-N 3.43Å; W168-I173 HydrophobicContact CH2-CD1 3.99Å; W168-I173 HydrophobicContact CH2-CG1 4.06Å; W168-I173 HydrophobicContact CZ3-CD1 4.38Å; W168-I173 HydrophobicContact CZ3-CG1 3.93Å |
| 169 | L | 90.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -64.6 | -43.5 | -179 | 177.6 | 69.3 | 0 | 0 | 0 | 111.2 | L12 T17 H167 I173 Y174 | L12-L169 HydrophobicContact CD2-CB 4.15Å; L12-L169 HydrophobicContact CD2-CD2 4.42Å; L12-L169 HydrophobicContact CG-CB 4.37Å; L12-L169 WeakPolarHBondContact O-CD2 3.42Å; T17-L169 HydrophobicContact CG2-CD2 3.94Å; H167-L169 PolarHBondContact O-N 3.39Å; L169-I173 HydrophobicContact CD1-CB 3.82Å; L169-I173 HydrophobicContact CD1-CG1 3.71Å; L169-I173 HydrophobicContact CD1-CG2 4.29Å; L169-I173 WeakPolarHBondContact O-CA 3.5Å; L169-I173 VanDerWaalsContact O-CB 3.29Å; L169-I173 WeakPolarHBondContact O-CB 3.19Å; L169-I173 PolarHBondContact O-N 3.14Å; L169-Y174 HydrophobicContact CD1-CE1 4.48Å; L169-Y174 HydrophobicContact CG-CE1 4.3Å; L169-Y174 PolarHBondContact O-N 2.78Å; L169-Y174 VanDerWaalsContact O-N 3.12Å |
| 170 | Y | 92.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -70.4 | -44.3 | -176.5 | -58 | -22.9 | 0 | 0 | 0 | 110.3 | K92 A93 N164 H167 Y174 L175 | K92-Y170 HydrophobicContact CB-CD2 4.4Å; K92-Y170 HydrophobicContact CB-CE1 4.13Å; K92-Y170 HydrophobicContact CB-CE2 3.86Å; K92-Y170 WeakPolarHBondContact CD-OH 3.12Å; K92-Y170 WeakPolarHBondContact O-CD2 3.07Å; A93-Y170 HydrophobicContact CB-CG 4.16Å; N164-Y170 HydrophobicContact CB-CD2 4.1Å; N164-Y170 WeakPolarHBondContact ND2-CD2 3.26Å; H167-Y170 HydrophobicContact CB-CD2 3.43Å; H167-Y170 VanDerWaalsContact CB-CD2 3.43Å; H167-Y170 HydrophobicContact CB-CE2 3.96Å; H167-Y170 HydrophobicContact CB-CG 4.01Å; H167-Y170 AromaticContact CE1-CZ 3.87Å; H167-Y170 AromaticContact CG-CD2 3.55Å; H167-Y170 AromaticContact CG-CE2 3.69Å; H167-Y170 AromaticContact ND1-CD1 3.62Å; H167-Y170 AromaticContact ND1-CD2 3.33Å; H167-Y170 VanDerWaalsContact ND1-CD2 3.33Å; H167-Y170 WeakPolarHBondContact ND1-CD2 3.15Å; H167-Y170 AromaticContact ND1-CE1 3.73Å; H167-Y170 AromaticContact ND1-CE2 3.44Å; H167-Y170 WeakPolarHBondContact ND1-CE2 3.24Å; H167-Y170 AromaticContact ND1-CG 3.4Å; H167-Y170 AromaticContact ND1-CZ 3.63Å; H167-Y170 PolarHBondContact O-N 2.83Å; H167-Y170 VanDerWaalsContact O-N 3.15Å; Y170-Y174 AromaticContact CD1-CD2 3.97Å; Y170-Y174 HydrophobicContact CD1-CD2 3.97Å; Y170-Y174 HydrophobicContact CD1-CE2 4.05Å; Y170-Y174 HydrophobicContact CE1-CE2 4.27Å; Y170-Y174 WeakPolarHBondContact O-CB 3.31Å; Y170-Y174 PolarHBondContact O-N 3.4Å; Y170-L175 WeakPolarHBondContact O-CG 3.42Å; Y170-L175 PolarHBondContact O-N 2.84Å |
| 171 | L | 93.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -64.2 | -58.6 | 175.9 | 178.8 | 61.2 | 0 | 0 | 0 | 112 | T165 H167 L175 V176 | T165-L171 HydrophobicContact CG2-CD1 4.3Å; T165-L171 WeakPolarHBondContact O-CD2 3.28Å; H167-L171 PolarHBondContact O-N 3.45Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-V176 HydrophobicContact CD1-CG2 4.3Å; L171-V176 WeakPolarHBondContact O-CB 3.33Å; L171-V176 VanDerWaalsContact O-CG2 3.31Å; L171-V176 WeakPolarHBondContact O-CG2 3.29Å; L171-V176 PolarHBondContact O-N 3.07Å |
| 172 | W | 94.3 | Very high | 93.9 | Very high | 134 Ų | 134 | 55.6 Ų | 55.6 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -84.2 | -36.1 | -166 | -70.8 | 106.9 | 0 | 0 | 0 | 113.8 | W168 V176 F177 | W168-W172 AromaticContact CD1-CD1 3.38Å; W168-W172 AromaticContact CD1-NE1 3.98Å; W168-W172 AromaticContact CG-CD1 3.95Å; W168-W172 AromaticContact NE1-CD1 3.48Å; W168-W172 WeakPolarHBondContact O-CB 3.18Å; W168-W172 PolarHBondContact O-N 3.43Å; W172-V176 HydrophobicContact CE3-CB 4.06Å; W172-V176 HydrophobicContact CE3-CG1 3.98Å; W172-V176 HydrophobicContact CE3-CG2 4.03Å; W172-V176 HydrophobicContact CZ3-CG1 4.12Å; W172-V176 HydrophobicContact CZ3-CG2 4.23Å; W172-F177 VanDerWaalsContact O-CB 3.3Å; W172-F177 WeakPolarHBondContact O-CB 3.4Å; W172-F177 PolarHBondContact O-N 3.17Å |
| 173 | I | 92.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -91.7 | -52.1 | -178.1 | -52.3 | -55.2 | 0 | 0 | 0 | 110.1 | W168 L169 F177 F178 | W168-I173 HydrophobicContact CH2-CD1 3.99Å; W168-I173 HydrophobicContact CH2-CG1 4.06Å; W168-I173 HydrophobicContact CZ3-CD1 4.38Å; W168-I173 HydrophobicContact CZ3-CG1 3.93Å; L169-I173 HydrophobicContact CD1-CB 3.82Å; L169-I173 HydrophobicContact CD1-CG1 3.71Å; L169-I173 HydrophobicContact CD1-CG2 4.29Å; L169-I173 WeakPolarHBondContact O-CA 3.5Å; L169-I173 VanDerWaalsContact O-CB 3.29Å; L169-I173 WeakPolarHBondContact O-CB 3.19Å; L169-I173 PolarHBondContact O-N 3.14Å; I173-F177 WeakPolarHBondContact O-CB 3.33Å; I173-F178 HydrophobicContact CG2-CE2 4.08Å; I173-F178 WeakPolarHBondContact O-CD2 3.38Å; I173-F178 PolarHBondContact O-N 3.18Å |
| 174 | Y | 93.8 | Very high | 94 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -75.3 | -52.5 | -174.4 | -69.3 | 11.8 | 0 | 0 | 0 | 111.8 | T17 E89 Y90 A93 L169 Y170 F178 N179 | T17-Y174 WeakPolarHBondContact CG2-OH 3.35Å; E89-Y174 HydrophobicContact CG-CE2 3.98Å; E89-Y174 WeakPolarHBondContact CG-OH 3.35Å; E89-Y174 PolarHBondContact OE1-OH 3.12Å; Y90-Y174 HydrophobicContact CD2-CD2 4.21Å; Y90-Y174 HydrophobicContact CD2-CG 4.46Å; A93-Y174 HydrophobicContact CB-CD2 3.9Å; A93-Y174 HydrophobicContact CB-CG 4.4Å; L169-Y174 HydrophobicContact CD1-CE1 4.48Å; L169-Y174 HydrophobicContact CG-CE1 4.3Å; L169-Y174 PolarHBondContact O-N 2.78Å; L169-Y174 VanDerWaalsContact O-N 3.12Å; Y170-Y174 AromaticContact CD1-CD2 3.97Å; Y170-Y174 HydrophobicContact CD1-CD2 3.97Å; Y170-Y174 HydrophobicContact CD1-CE2 4.05Å; Y170-Y174 HydrophobicContact CE1-CE2 4.27Å; Y170-Y174 WeakPolarHBondContact O-CB 3.31Å; Y170-Y174 PolarHBondContact O-N 3.4Å; Y174-F178 HydrophobicContact CD1-CE2 4.46Å; Y174-N179 PolarHBondContact O-ND2 3.3Å; Y174-N179 VanDerWaalsContact O-ND2 3.16Å |
| 175 | L | 95.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -79.8 | -56.5 | -176.5 | -61.2 | 173.8 | 0 | 0 | 0 | 111.4 | A93 D94 F152 L163 Y170 L171 N179 | A93-L175 HydrophobicContact CB-CD2 4.21Å; A93-L175 HydrophobicContact CB-CG 4.16Å; D94-L175 HydrophobicContact CB-CD2 4.35Å; F152-L175 HydrophobicContact CE1-CD2 3.94Å; L163-L175 HydrophobicContact CB-CD1 4.21Å; L163-L175 HydrophobicContact CD2-CD1 4.18Å; L163-L175 HydrophobicContact CD2-CD2 3.88Å; Y170-L175 WeakPolarHBondContact O-CG 3.42Å; Y170-L175 PolarHBondContact O-N 2.84Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L175-N179 VanDerWaalsContact O-CB 3.23Å; L175-N179 WeakPolarHBondContact O-CB 3.4Å; L175-N179 PolarHBondContact O-ND2 3.45Å |
| 176 | V | 94.9 | Very high | 94.6 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -76.8 | -52.3 | -172.2 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | L171 W172 G180 | L171-V176 HydrophobicContact CD1-CG2 4.3Å; L171-V176 WeakPolarHBondContact O-CB 3.33Å; L171-V176 VanDerWaalsContact O-CG2 3.31Å; L171-V176 WeakPolarHBondContact O-CG2 3.29Å; L171-V176 PolarHBondContact O-N 3.07Å; W172-V176 HydrophobicContact CE3-CB 4.06Å; W172-V176 HydrophobicContact CE3-CG1 3.98Å; W172-V176 HydrophobicContact CE3-CG2 4.03Å; W172-V176 HydrophobicContact CZ3-CG1 4.12Å; W172-V176 HydrophobicContact CZ3-CG2 4.23Å; V176-G180 WeakPolarHBondContact O-CA 3.36Å; V176-G180 PolarHBondContact O-N 3.31Å |
| 177 | F | 95.6 | Very high | 94.9 | Very high | 115 Ų | 115 | 50.9 Ų | 50.9 | 50% | 0.504 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -68.5 | -57.5 | -173.3 | 171 | -99.6 | 0 | 0 | 0 | 112.2 | W172 I173 N179 G180 V181 | W172-F177 VanDerWaalsContact O-CB 3.3Å; W172-F177 WeakPolarHBondContact O-CB 3.4Å; W172-F177 PolarHBondContact O-N 3.17Å; I173-F177 WeakPolarHBondContact O-CB 3.33Å; F177-N179 PolarHBondContact O-N 2.81Å; F177-G180 PolarHBondContact O-N 3.39Å; F177-V181 HydrophobicContact CE2-CG2 4.33Å; F177-V181 HydrophobicContact CZ-CG2 4.34Å; F177-V181 WeakPolarHBondContact O-CG2 3.44Å; F177-V181 PolarHBondContact O-N 2.74Å; F177-V181 VanDerWaalsContact O-N 3.09Å |
| 178 | F | 93.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 54 Ų | 54 | 18% | 0.18 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -61 | -47.7 | -176.2 | -78.3 | -67.7 | 0 | 0 | 0 | 111.9 | L21 C24 I173 Y174 G180 V181 W182 | L21-F178 HydrophobicContact CD2-CE2 4.08Å; L21-F178 HydrophobicContact CD2-CZ 4.05Å; C24-F178 HydrophobicContact CB-CE1 4.07Å; C24-F178 HydrophobicContact CB-CZ 4.19Å; I173-F178 HydrophobicContact CG2-CE2 4.08Å; I173-F178 WeakPolarHBondContact O-CD2 3.38Å; I173-F178 PolarHBondContact O-N 3.18Å; Y174-F178 HydrophobicContact CD1-CE2 4.46Å; F178-G180 PolarHBondContact O-N 2.93Å; F178-V181 PolarHBondContact O-N 3.4Å; F178-W182 VanDerWaalsContact O-CE3 3.32Å |
| 179 | N | 95.6 | Very high | 95.7 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.9 | -31.9 | 177.5 | -59 | -83.3 | 0 | 0 | 0 | 112.7 | Y90 F152 Y174 L175 F177 V181 W182 V183 | Y90-N179 PolarHBondContact OH-ND2 2.91Å; F152-N179 HydrophobicContact CE2-CB 3.68Å; F152-N179 VanDerWaalsContact CE2-OD1 3.3Å; F152-N179 WeakPolarHBondContact CE2-OD1 3.42Å; F152-N179 HydrophobicContact CZ-CB 4.03Å; F152-N179 WeakPolarHBondContact CZ-ND2 3.29Å; F152-N179 VanDerWaalsContact CZ-OD1 3.27Å; F152-N179 WeakPolarHBondContact CZ-OD1 3.34Å; Y174-N179 PolarHBondContact O-ND2 3.3Å; Y174-N179 VanDerWaalsContact O-ND2 3.16Å; L175-N179 VanDerWaalsContact O-CB 3.23Å; L175-N179 WeakPolarHBondContact O-CB 3.4Å; L175-N179 PolarHBondContact O-ND2 3.45Å; F177-N179 PolarHBondContact O-N 2.81Å; N179-V181 PolarHBondContact O-N 2.93Å; N179-W182 CarbonylContact O-C 3.58Å; N179-W182 PolarHBondContact O-N 3.11Å; N179-W182 VanDerWaalsContact O-N 3.09Å; N179-V183 PolarHBondContact O-N 3.49Å |
| 180 | G | 96.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -30.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V176 F177 F178 V183 V184 | V176-G180 WeakPolarHBondContact O-CA 3.36Å; V176-G180 PolarHBondContact O-N 3.31Å; F177-G180 PolarHBondContact O-N 3.39Å; F178-G180 PolarHBondContact O-N 2.93Å; G180-V183 PolarHBondContact O-N 3.45Å; G180-V183 VanDerWaalsContact O-N 3.11Å; G180-V184 WeakPolarHBondContact O-CG2 3.29Å; G180-V184 PolarHBondContact O-N 2.92Å |
| 181 | V | 96.7 | Very high | 96.4 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 172.8 | 177 | 0 | 0 | 0 | 0 | 111 | W52 F177 F178 N179 V183 V184 V185 | W52-V181 HydrophobicContact CE3-CG1 4.3Å; W52-V181 HydrophobicContact CH2-CG1 3.81Å; W52-V181 HydrophobicContact CZ3-CG1 3.38Å; F177-V181 HydrophobicContact CE2-CG2 4.33Å; F177-V181 HydrophobicContact CZ-CG2 4.34Å; F177-V181 WeakPolarHBondContact O-CG2 3.44Å; F177-V181 PolarHBondContact O-N 2.74Å; F177-V181 VanDerWaalsContact O-N 3.09Å; F178-V181 PolarHBondContact O-N 3.4Å; N179-V181 PolarHBondContact O-N 2.93Å; V181-V183 PolarHBondContact O-N 2.97Å; V181-V184 PolarHBondContact O-N 2.72Å; V181-V185 HydrophobicContact CG1-CG2 3.98Å; V181-V185 PolarHBondContact O-N 3.34Å |
| 182 | W | 96.1 | Very high | 96.6 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 16% | 0.163 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.6 | -2.8 | 173.2 | -90.1 | -96.9 | 0 | 0 | 0 | 114 | W52 Y55 D56 V59 F178 N179 P186 | W52-W182 AromaticContact CH2-CD2 3.47Å; W52-W182 HydrophobicContact CH2-CD2 3.47Å; W52-W182 VanDerWaalsContact CH2-CD2 3.47Å; W52-W182 AromaticContact CH2-CE2 3.53Å; W52-W182 AromaticContact CH2-CE3 3.76Å; W52-W182 HydrophobicContact CH2-CE3 3.76Å; W52-W182 AromaticContact CH2-CG 3.84Å; W52-W182 HydrophobicContact CH2-CG 3.84Å; W52-W182 HydrophobicContact CH2-CH2 4.23Å; W52-W182 AromaticContact CH2-CZ2 3.93Å; W52-W182 HydrophobicContact CH2-CZ2 3.93Å; W52-W182 HydrophobicContact CH2-CZ3 4.14Å; W52-W182 AromaticContact CH2-NE1 3.85Å; W52-W182 AromaticContact CZ2-CD1 3.92Å; W52-W182 HydrophobicContact CZ2-CD2 4.13Å; W52-W182 AromaticContact CZ2-CE2 3.99Å; W52-W182 HydrophobicContact CZ2-CG 4.11Å; W52-W182 AromaticContact CZ2-NE1 3.82Å; W52-W182 HydrophobicContact CZ3-CD2 4.45Å; W52-W182 HydrophobicContact CZ3-CE3 4.38Å; W52-W182 HydrophobicContact CZ3-CH2 4.43Å; W52-W182 HydrophobicContact CZ3-CZ2 4.45Å; W52-W182 HydrophobicContact CZ3-CZ3 4.38Å; Y55-W182 HydrophobicContact CD1-CH2 4.09Å; Y55-W182 AromaticContact CE1-CH2 3.38Å; Y55-W182 HydrophobicContact CE1-CH2 3.38Å; Y55-W182 HydrophobicContact CE1-CZ2 4.28Å; Y55-W182 AromaticContact CE1-CZ3 3.9Å; Y55-W182 HydrophobicContact CE1-CZ3 3.9Å; D56-W182 PolarHBondContact OD1-NE1 2.96Å; V59-W182 HydrophobicContact CB-CH2 4.42Å; V59-W182 HydrophobicContact CB-CZ2 4.22Å; V59-W182 HydrophobicContact CG1-CH2 4.23Å; V59-W182 HydrophobicContact CG1-CZ2 4.06Å; V59-W182 HydrophobicContact CG2-CH2 4.09Å; V59-W182 HydrophobicContact CG2-CZ2 4.35Å; F178-W182 VanDerWaalsContact O-CE3 3.32Å; N179-W182 CarbonylContact O-C 3.58Å; N179-W182 PolarHBondContact O-N 3.11Å; N179-W182 VanDerWaalsContact O-N 3.09Å; W182-P186 VanDerWaalsContact O-CD 3.28Å; W182-P186 WeakPolarHBondContact O-CD 3.33Å; W182-P186 WeakPolarHBondContact O-CG 3.48Å |
| 183 | V | 97.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 50 Ų | 50 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -98.8 | -50.6 | 168 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | L145 N179 G180 V181 G187 | L145-V183 HydrophobicContact CD2-CB 4.33Å; L145-V183 HydrophobicContact CD2-CG1 4.14Å; N179-V183 PolarHBondContact O-N 3.49Å; G180-V183 PolarHBondContact O-N 3.45Å; G180-V183 VanDerWaalsContact O-N 3.11Å; V181-V183 PolarHBondContact O-N 2.97Å; V183-G187 PolarHBondContact O-N 3.15Å; V183-G187 VanDerWaalsContact O-N 3.07Å |
| 184 | V | 98.3 | Very high | 97 | Very high | 89 Ų | 89 | 55.1 Ų | 55.1 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68 | -47.2 | -173.2 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | G180 V181 G187 L188 | G180-V184 WeakPolarHBondContact O-CG2 3.29Å; G180-V184 PolarHBondContact O-N 2.92Å; V181-V184 PolarHBondContact O-N 2.72Å; V184-G187 PolarHBondContact O-N 3.09Å; V184-L188 HydrophobicContact CG1-CD1 3.97Å; V184-L188 HydrophobicContact CG1-CG 4.42Å; V184-L188 VanDerWaalsContact O-CG 3.29Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 2.83Å |
| 185 | V | 98.2 | Very high | 97.2 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -49.1 | -176.5 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | W52 V181 G187 L188 L189 | W52-V185 HydrophobicContact CB-CG1 4.11Å; W52-V185 HydrophobicContact CD2-CB 3.97Å; W52-V185 HydrophobicContact CD2-CG1 3.44Å; W52-V185 VanDerWaalsContact CD2-CG1 3.44Å; W52-V185 HydrophobicContact CD2-CG2 4.33Å; W52-V185 HydrophobicContact CE3-CB 4.22Å; W52-V185 HydrophobicContact CE3-CG1 4.07Å; W52-V185 HydrophobicContact CE3-CG2 4.12Å; W52-V185 HydrophobicContact CG-CB 4.46Å; W52-V185 HydrophobicContact CG-CG1 3.44Å; W52-V185 VanDerWaalsContact CG-CG1 3.44Å; W52-V185 HydrophobicContact CH2-CB 4.39Å; W52-V185 HydrophobicContact CZ2-CB 4.16Å; W52-V185 HydrophobicContact CZ2-CG1 4.34Å; W52-V185 HydrophobicContact CZ3-CB 4.45Å; W52-V185 HydrophobicContact CZ3-CG2 4.3Å; V181-V185 HydrophobicContact CG1-CG2 3.98Å; V181-V185 PolarHBondContact O-N 3.34Å; V185-G187 VanDerWaalsContact C-N 3.3Å; V185-G187 PolarHBondContact O-N 3.09Å; V185-L188 PolarHBondContact O-N 3.13Å; V185-L188 VanDerWaalsContact O-N 3.12Å; V185-L189 HydrophobicContact CG1-CD1 4.19Å; V185-L189 HydrophobicContact CG1-CG 4.31Å; V185-L189 WeakPolarHBondContact O-CG 3.49Å; V185-L189 PolarHBondContact O-N 3.25Å |
| 186 | P | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 175.8 | -30.7 | 43.4 | 0 | 0 | 0 | 113.1 | W52 C141 E144 L145 W182 L188 L189 L190 | W52-P186 HydrophobicContact CZ2-CG 4.37Å; C141-P186 HydrophobicContact CB-CB 3.77Å; E144-P186 HydrophobicContact CB-CB 4.43Å; E144-P186 HydrophobicContact CB-CG 4.03Å; E144-P186 HydrophobicContact CG-CG 4.47Å; E144-P186 WeakPolarHBondContact OE2-CB 3.11Å; E144-P186 WeakPolarHBondContact OE2-CG 3.5Å; L145-P186 HydrophobicContact CD1-CB 4.36Å; L145-P186 HydrophobicContact CD2-CB 4.18Å; L145-P186 HydrophobicContact CG-CB 3.95Å; W182-P186 VanDerWaalsContact O-CD 3.28Å; W182-P186 WeakPolarHBondContact O-CD 3.33Å; W182-P186 WeakPolarHBondContact O-CG 3.48Å; P186-L188 PolarHBondContact O-N 3.09Å; P186-L189 PolarHBondContact O-N 2.93Å; P186-L190 WeakPolarHBondContact O-CG 3.32Å; P186-L190 PolarHBondContact O-N 3.1Å |
| 187 | G | 98.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V183 V184 V185 L190 W191 | V183-G187 PolarHBondContact O-N 3.15Å; V183-G187 VanDerWaalsContact O-N 3.07Å; V184-G187 PolarHBondContact O-N 3.09Å; V185-G187 VanDerWaalsContact C-N 3.3Å; V185-G187 PolarHBondContact O-N 3.09Å; G187-L190 PolarHBondContact O-N 2.75Å; G187-W191 PolarHBondContact O-N 3.07Å |
| 188 | L | 98.6 | Very high | 97.1 | Very high | 109 Ų | 109 | 60 Ų | 60 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.2 | -37.8 | 175.3 | -69.7 | 172.8 | 0 | 0 | 0 | 112.2 | V184 V185 P186 W191 Q192 | V184-L188 HydrophobicContact CG1-CD1 3.97Å; V184-L188 HydrophobicContact CG1-CG 4.42Å; V184-L188 VanDerWaalsContact O-CG 3.29Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 2.83Å; V185-L188 PolarHBondContact O-N 3.13Å; V185-L188 VanDerWaalsContact O-N 3.12Å; P186-L188 PolarHBondContact O-N 3.09Å; L188-W191 PolarHBondContact O-N 3.41Å; L188-Q192 WeakPolarHBondContact O-CB 3.3Å; L188-Q192 PolarHBondContact O-N 3.47Å |
| 189 | L | 98.6 | Very high | 97 | Very high | 9 Ų | 9 | 66.9 Ų | 66.9 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 176.7 | -68 | -177.4 | 0 | 0 | 0 | 112.3 | V49 Q137 C141 V185 P186 Q192 S193 | V49-L189 HydrophobicContact CB-CD2 4.26Å; V49-L189 HydrophobicContact CG1-CD1 4.45Å; V49-L189 HydrophobicContact CG1-CD2 3.76Å; V49-L189 HydrophobicContact CG2-CD2 3.58Å; Q137-L189 HydrophobicContact CG-CB 4.08Å; Q137-L189 PolarHBondContact NE2-O 3.23Å; C141-L189 VanDerWaalsContact SG-CB 3.59Å; V185-L189 HydrophobicContact CG1-CD1 4.19Å; V185-L189 HydrophobicContact CG1-CG 4.31Å; V185-L189 WeakPolarHBondContact O-CG 3.49Å; V185-L189 PolarHBondContact O-N 3.25Å; P186-L189 PolarHBondContact O-N 2.93Å; L189-Q192 WeakPolarHBondContact O-CB 3.35Å; L189-Q192 PolarHBondContact O-N 2.97Å; L189-S193 PolarHBondContact O-N 3.42Å; L189-S193 PolarHBondContact O-OG 2.78Å |
| 190 | L | 98.7 | Very high | 96.7 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 171.4 | -74.6 | 175 | 0 | 0 | 0 | 111.1 | I138 C141 V142 L145 P186 G187 Q192 S193 W194 | I138-L190 HydrophobicContact CB-CD2 4.16Å; I138-L190 HydrophobicContact CG1-CD2 4.03Å; I138-L190 HydrophobicContact CG2-CD2 4.03Å; C141-L190 HydrophobicContact CB-CD1 4.13Å; C141-L190 HydrophobicContact CB-CD2 3.81Å; C141-L190 HydrophobicContact CB-CG 3.63Å; V142-L190 HydrophobicContact CG2-CD2 4.43Å; L145-L190 HydrophobicContact CD1-CD1 3.56Å; P186-L190 WeakPolarHBondContact O-CG 3.32Å; P186-L190 PolarHBondContact O-N 3.1Å; G187-L190 PolarHBondContact O-N 2.75Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 2.89Å; L190-S193 PolarHBondContact O-N 3.49Å; L190-W194 WeakPolarHBondContact O-CB 3.47Å; L190-W194 PolarHBondContact O-N 3.22Å |
| 191 | W | 98.5 | Very high | 96.3 | Very high | 153 Ų | 153 | 74.3 Ų | 74.3 | 58% | 0.58 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 174.3 | -179.3 | -111.4 | 0 | 0 | 0 | 112.1 | G187 L188 S193 W194 L195 | G187-W191 PolarHBondContact O-N 3.07Å; L188-W191 PolarHBondContact O-N 3.41Å; W191-S193 PolarHBondContact O-N 2.93Å; W191-W194 AromaticContact CZ3-CD1 3.88Å; W191-W194 WeakPolarHBondContact O-CB 3.36Å; W191-W194 PolarHBondContact O-N 3.07Å; W191-L195 HydrophobicContact CD2-CG 4.49Å; W191-L195 HydrophobicContact CH2-CD2 4.5Å; W191-L195 HydrophobicContact CZ2-CD1 4.46Å; W191-L195 HydrophobicContact CZ2-CD2 4Å; W191-L195 HydrophobicContact CZ2-CG 4.38Å; W191-L195 WeakPolarHBondContact O-CG 3.33Å; W191-L195 PolarHBondContact O-N 3.42Å |
| 192 | Q | 97.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 76.3 Ų | 76.3 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 174.8 | -174 | -168.2 | 43.1 | 0 | 0 | 111.4 | L188 L189 L190 W194 L195 S196 | L188-Q192 WeakPolarHBondContact O-CB 3.3Å; L188-Q192 PolarHBondContact O-N 3.47Å; L189-Q192 WeakPolarHBondContact O-CB 3.35Å; L189-Q192 PolarHBondContact O-N 2.97Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 2.89Å; Q192-W194 VanDerWaalsContact C-N 3.34Å; Q192-W194 PolarHBondContact O-N 2.89Å; Q192-L195 PolarHBondContact O-N 3.36Å; Q192-S196 PolarHBondContact O-N 3.25Å; Q192-S196 PolarHBondContact O-OG 2.87Å |
| 193 | S | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 177.5 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | H134 Q137 L189 L190 W191 L195 S196 L197 | H134-S193 WeakPolarHBondContact ND1-CA 3.19Å; H134-S193 PolarHBondContact ND1-OG 3.44Å; Q137-S193 PolarHBondContact NE2-OG 3.35Å; L189-S193 PolarHBondContact O-N 3.42Å; L189-S193 PolarHBondContact O-OG 2.78Å; L190-S193 PolarHBondContact O-N 3.49Å; W191-S193 PolarHBondContact O-N 2.93Å; S193-L195 PolarHBondContact O-N 2.93Å; S193-S196 WeakPolarHBondContact O-CB 3.44Å; S193-S196 PolarHBondContact O-N 3.5Å; S193-L197 WeakPolarHBondContact O-CG 3.42Å; S193-L197 PolarHBondContact O-N 2.93Å |
| 194 | W | 97.9 | Very high | 93.5 | Very high | 155 Ų | 155 | 84.1 Ų | 84.1 | 59% | 0.587 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.6 | -46.9 | 175.2 | 176.9 | -105.3 | 0 | 0 | 0 | 112.2 | L190 W191 Q192 S196 L197 K198 | L190-W194 WeakPolarHBondContact O-CB 3.47Å; L190-W194 PolarHBondContact O-N 3.22Å; W191-W194 AromaticContact CZ3-CD1 3.88Å; W191-W194 WeakPolarHBondContact O-CB 3.36Å; W191-W194 PolarHBondContact O-N 3.07Å; Q192-W194 VanDerWaalsContact C-N 3.34Å; Q192-W194 PolarHBondContact O-N 2.89Å; W194-S196 VanDerWaalsContact C-N 3.33Å; W194-S196 PolarHBondContact O-N 3.48Å; W194-L197 PolarHBondContact O-N 3.36Å; W194-K198 WeakPolarHBondContact O-CB 3.16Å; W194-K198 PolarHBondContact O-N 3.45Å |
| 195 | L | 96.9 | Very high | 92.5 | Very high | 56 Ų | 56 | 85.8 Ų | 85.8 | 29% | 0.293 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 176.9 | -68.5 | -179.7 | 0 | 0 | 0 | 112.2 | W191 Q192 S193 K198 R199 | W191-L195 HydrophobicContact CD2-CG 4.49Å; W191-L195 HydrophobicContact CH2-CD2 4.5Å; W191-L195 HydrophobicContact CZ2-CD1 4.46Å; W191-L195 HydrophobicContact CZ2-CD2 4Å; W191-L195 HydrophobicContact CZ2-CG 4.38Å; W191-L195 WeakPolarHBondContact O-CG 3.33Å; W191-L195 PolarHBondContact O-N 3.42Å; Q192-L195 PolarHBondContact O-N 3.36Å; S193-L195 PolarHBondContact O-N 2.93Å; L195-K198 PolarHBondContact O-N 3.14Å; L195-R199 VanDerWaalsContact O-CG 3.32Å; L195-R199 WeakPolarHBondContact O-CG 3.37Å; L195-R199 PolarHBondContact O-N 3.43Å; L195-R199 VanDerWaalsContact O-N 3.12Å |
| 196 | S | 94.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 86.9 Ų | 86.9 | 18% | 0.175 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.5 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | H134 Q192 S193 W194 K198 R199 L200 | H134-S196 PolarHBondContact CE1-OG 2.99Å; H134-S196 VanDerWaalsContact CE1-OG 3.24Å; H134-S196 VanDerWaalsContact NE2-CB 3.28Å; H134-S196 WeakPolarHBondContact NE2-CB 3.32Å; H134-S196 PolarHBondContact NE2-OG 3.34Å; Q192-S196 PolarHBondContact O-N 3.25Å; Q192-S196 PolarHBondContact O-OG 2.87Å; S193-S196 WeakPolarHBondContact O-CB 3.44Å; S193-S196 PolarHBondContact O-N 3.5Å; W194-S196 VanDerWaalsContact C-N 3.33Å; W194-S196 PolarHBondContact O-N 3.48Å; S196-K198 VanDerWaalsContact C-N 3.34Å; S196-K198 PolarHBondContact O-N 2.86Å; S196-R199 PolarHBondContact O-N 3.17Å; S196-L200 WeakPolarHBondContact O-CG 3.29Å; S196-L200 PolarHBondContact O-N 2.97Å; S196-L200 VanDerWaalsContact O-N 3.16Å |
| 197 | L | 94.8 | Very high | 89.5 | Confident | 83 Ų | 83 | 92.4 Ų | 92.4 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 177.3 | -70.5 | 172.2 | 0 | 0 | 0 | 111.8 | I138 S193 W194 R199 L200 H201 | I138-L197 HydrophobicContact CD1-CD1 3.89Å; S193-L197 WeakPolarHBondContact O-CG 3.42Å; S193-L197 PolarHBondContact O-N 2.93Å; W194-L197 PolarHBondContact O-N 3.36Å; L197-R199 VanDerWaalsContact C-N 3.29Å; L197-R199 PolarHBondContact O-N 3.01Å; L197-L200 PolarHBondContact O-N 2.73Å; L197-L200 VanDerWaalsContact O-N 3.15Å; L197-H201 PolarHBondContact O-N 3.29Å; L197-H201 VanDerWaalsContact O-N 3.15Å |
| 198 | K | 94.8 | Very high | 88 | Confident | 145 Ų | 145 | 100.4 Ų | 100.4 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.2 | -38.8 | 175.8 | -174.5 | 178.2 | -179.8 | 179 | 0 | 112.3 | W194 L195 S196 P202 | W194-K198 WeakPolarHBondContact O-CB 3.16Å; W194-K198 PolarHBondContact O-N 3.45Å; L195-K198 PolarHBondContact O-N 3.14Å; S196-K198 VanDerWaalsContact C-N 3.34Å; S196-K198 PolarHBondContact O-N 2.86Å; K198-P202 WeakPolarHBondContact O-CD 3.35Å |
| 199 | R | 92.6 | Very high | 86.1 | Confident | 186 Ų | 186 | 104.9 Ų | 104.9 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.3 | -31.6 | 177.5 | -71.5 | 171.1 | -173.5 | 171 | 2.8 | 112.9 | L195 S196 L197 P202 | L195-R199 VanDerWaalsContact O-CG 3.32Å; L195-R199 WeakPolarHBondContact O-CG 3.37Å; L195-R199 PolarHBondContact O-N 3.43Å; L195-R199 VanDerWaalsContact O-N 3.12Å; S196-R199 PolarHBondContact O-N 3.17Å; L197-R199 VanDerWaalsContact C-N 3.29Å; L197-R199 PolarHBondContact O-N 3.01Å; R199-P202 WeakPolarHBondContact O-CD 3.15Å |
| 200 | L | 88.9 | Confident | 84 | Confident | 109 Ų | 109 | 113.7 Ų | 113.7 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -78.5 | -24.8 | 179.5 | -69.4 | 168.1 | 0 | 0 | 0 | 113.2 | S196 L197 S203 Y204 | S196-L200 WeakPolarHBondContact O-CG 3.29Å; S196-L200 PolarHBondContact O-N 2.97Å; S196-L200 VanDerWaalsContact O-N 3.16Å; L197-L200 PolarHBondContact O-N 2.73Å; L197-L200 VanDerWaalsContact O-N 3.15Å; L200-S203 WeakPolarHBondContact O-CB 3.3Å; L200-S203 PolarHBondContact O-N 3.35Å; L200-Y204 PolarHBondContact O-N 3.31Å |
| 201 | H | 86.9 | Confident | 81.7 | Confident | 115 Ų | 115 | 124.8 Ų | 124.8 | 53% | 0.532 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -57.4 | -45.7 | -174.3 | -174.3 | 79.6 | 0 | 0 | 0 | 114.7 | L197 S203 Y204 Q205 | L197-H201 PolarHBondContact O-N 3.29Å; L197-H201 VanDerWaalsContact O-N 3.15Å; H201-S203 VanDerWaalsContact C-N 3.3Å; H201-S203 PolarHBondContact O-N 3.21Å; H201-Y204 WeakPolarHBondContact O-CB 3.39Å; H201-Y204 PolarHBondContact O-N 3.46Å; H201-Q205 PolarHBondContact O-N 2.98Å |
| 202 | P | 84.1 | Confident | 80.8 | Confident | 83 Ų | 83 | 123.4 Ų | 123.4 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.7 | -33.8 | 177.6 | -22.2 | 34.7 | 0 | 0 | 0 | 113.3 | K198 R199 Y204 Q205 A206 | K198-P202 WeakPolarHBondContact O-CD 3.35Å; R199-P202 WeakPolarHBondContact O-CD 3.15Å; P202-Y204 PolarHBondContact O-N 3.23Å; P202-Q205 PolarHBondContact O-N 3.39Å; P202-A206 PolarHBondContact O-N 3.21Å |
| 203 | S | 75.2 | Confident | 79.9 | Confident | 92 Ų | 92 | 127.4 Ų | 127.4 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.8 | -26 | 177.5 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | L200 H201 | L200-S203 WeakPolarHBondContact O-CB 3.3Å; L200-S203 PolarHBondContact O-N 3.35Å; H201-S203 VanDerWaalsContact C-N 3.3Å; H201-S203 PolarHBondContact O-N 3.21Å |
| 204 | Y | 73.2 | Confident | 78.9 | Confident | 195 Ų | 195 | 134.4 Ų | 134.4 | 77% | 0.765 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.9 | -33.1 | 173.9 | -175.9 | -96.6 | 0 | 0 | 0 | 112.7 | L200 H201 P202 A206 | L200-Y204 PolarHBondContact O-N 3.31Å; H201-Y204 WeakPolarHBondContact O-CB 3.39Å; H201-Y204 PolarHBondContact O-N 3.46Å; P202-Y204 PolarHBondContact O-N 3.23Å; Y204-A206 VanDerWaalsContact C-N 3.35Å |
| 205 | Q | 76.8 | Confident | 77.8 | Confident | 123 Ų | 123 | 133.2 Ų | 133.2 | 58% | 0.575 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.7 | -11 | -177.7 | -64.4 | -68.2 | -14.8 | 0 | 0 | 113.5 | H201 P202 | H201-Q205 PolarHBondContact O-N 2.98Å; P202-Q205 PolarHBondContact O-N 3.39Å |
| 206 | A | 71 | Confident | 76.6 | Confident | 60 Ų | 60 | 138.1 Ų | 138.1 | 50% | 0.496 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -68.3 | 127.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P202 Y204 K208 | P202-A206 PolarHBondContact O-N 3.21Å; Y204-A206 VanDerWaalsContact C-N 3.35Å; A206-K208 PolarHBondContact O-N 3.44Å |
| 207 | P | 63.2 | Low | 75.4 | Confident | 117 Ų | 117 | 145.6 Ų | 145.6 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | trans | -59.7 | 127.1 | 176 | 21.7 | -30 | 0 | 0 | 0 | 109.4 | K209 | P207-K209 PolarHBondContact O-N 2.97Š| ||
| 208 | K | 67.3 | Low | 74 | Confident | 201 Ų | 201 | 150.1 Ų | 150.1 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -59.6 | 106.6 | 171.9 | -70.7 | -174.4 | -179.2 | 179 | 0 | 107.3 | A206 Q210 | A206-K208 PolarHBondContact O-N 3.44Å; K208-Q210 PolarHBondContact O-N 2.96Å | ||
| 209 | K | 58.4 | Low | 72.4 | Confident | 202 Ų | 202 | 150.5 Ų | 150.5 | 88% | 0.878 | 73% | 0.727 | S | S | * | * | trans | -59.1 | 106.7 | 168.3 | -73.1 | -175.2 | 176.6 | -177 | 0 | 107 | P207 K211 | P207-K209 PolarHBondContact O-N 2.97Å; K209-K211 PolarHBondContact O-N 3.2Å | ||
| 210 | Q | 55.2 | Low | 70.8 | Confident | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 73% | 0.729 | S | S | * | * | trans | -59.9 | 119.7 | 168 | -79 | 172 | -23.6 | 0 | 0 | 106.9 | K208 | K208-Q210 PolarHBondContact O-N 2.96Š| ||
| 211 | K | 49 | Very low | 69.1 | Low | 279 Ų | 279 | 151 Ų | 151 | 100% | 1.213 | 74% | 0.744 | S | S | * | * | trans | -84.9 | 0 | 165.3 | -86.4 | -173.5 | 175 | -176.6 | 0 | 108.6 | K209 | K209-K211 PolarHBondContact O-N 3.2Š|
Retrieved 211 of 211 residues in 1597.4 ms
(Link to these results)