| 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 | 34.4 | Very low | 36.8 | Very low | 239 Ų | 239 | 142 Ų | 142 | 100% | 1.177 | 79% | 0.79 | S | S | * | * | 0 | 50.2 | 0 | -160.7 | 172.1 | 75.1 | 0 | 0 | 111.3 | |||||
| 2 | S | 37 | Very low | 39.6 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -139.9 | 14.7 | -177.9 | -71.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3 | A | 30.8 | Very low | 42.9 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -108.7 | -7.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 4 | E | 33.3 | Very low | 45.6 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -97.2 | -0.6 | -175.6 | -85.6 | -177.2 | 123.6 | 0 | 0 | 115.5 | C6 R7 | E4-C6 VanDerWaalsContact C-N 3.28Å; E4-R7 IonicContact OE1-NH1 3.85Å |
| 5 | V | 35.5 | Very low | 48.3 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 87% | 0.873 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -83.8 | -7.2 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | R7 | V5-R7 PolarHBondContact O-N 3.44Š|
| 6 | C | 35.2 | Very low | 50.7 | Low | 124 Ų | 124 | 122.7 Ų | 122.7 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | trans | -90.8 | 41.5 | 170.8 | -148.1 | 0 | 0 | 0 | 0 | 111.5 | E4 E8 | E4-C6 VanDerWaalsContact C-N 3.28Å; C6-E8 PolarHBondContact O-N 3.02Å | ||
| 7 | R | 29.5 | Very low | 52.9 | Low | 188 Ų | 188 | 116.9 Ų | 116.9 | 71% | 0.709 | 64% | 0.638 | S | S | * | * | trans | -86.7 | 100.1 | 171.1 | -117.4 | 179.1 | 172.9 | 140.9 | -1.4 | 108.2 | E4 V5 | E4-R7 IonicContact OE1-NH1 3.85Å; V5-R7 PolarHBondContact O-N 3.44Å | ||
| 8 | E | 32.5 | Very low | 54.9 | Low | 166 Ų | 166 | 114.7 Ų | 114.7 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | trans | 39.7 | 94.8 | 153.4 | -66.8 | 173.1 | 130.7 | 0 | 0 | 115.9 | C6 A10 | C6-E8 PolarHBondContact O-N 3.02Å; E8-A10 PolarHBondContact O-N 3.35Å | ||
| 9 | T | 37.9 | Very low | 56.8 | Low | 142 Ų | 142 | 111.5 Ų | 111.5 | 87% | 0.871 | 61% | 0.612 | S | S | * | * | trans | -60.1 | 93.4 | 135.9 | 9 | 0 | 0 | 0 | 0 | 105.3 | E11 | T9-E11 PolarHBondContact O-N 3.03Š| ||
| 10 | A | 43.9 | Very low | 58.5 | Low | 60 Ų | 60 | 106.1 Ų | 106.1 | 50% | 0.496 | 58% | 0.582 | S | S | . | * | trans | -46.7 | 111 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | E8 H12 | E8-A10 PolarHBondContact O-N 3.35Å; A10-H12 PolarHBondContact O-N 2.81Å | ||
| 11 | E | 55.1 | Low | 60 | Low | 132 Ų | 132 | 101.2 Ų | 101.2 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | trans | -62.2 | 92.1 | 177.8 | -95.2 | -101.1 | 102.6 | 0 | 0 | 106.4 | T9 K17 | T9-E11 PolarHBondContact O-N 3.03Å; E11-K17 IonicContact OE1-NZ 3.87Å; E11-K17 PolarHBondContact OE1-NZ 2.95Å | ||
| 12 | H | 70.7 | Confident | 62.7 | Low | 49 Ų | 49 | 95.1 Ų | 95.1 | 23% | 0.227 | 53% | 0.528 | C | S | . | . | trans | -59.9 | 135.1 | -177.6 | -69.8 | -62.9 | 0 | 0 | 0 | 108.5 | A10 R14 K17 Y254 | A10-H12 PolarHBondContact O-N 2.81Å; H12-R14 PolarHBondContact O-N 3.05Å; H12-K17 HydrophobicContact CB-CG 4.43Å; H12-K17 VanDerWaalsContact O-CE 3.31Å; H12-K17 WeakPolarHBondContact O-CE 3.37Å; H12-Y254 HydrophobicContact CB-CD1 4.05Å; H12-Y254 AromaticContact CD2-CD1 3.63Å; H12-Y254 AromaticContact CE1-CD1 3.95Å; H12-Y254 AromaticContact CE1-CE1 3.92Å; H12-Y254 AromaticContact CG-CD1 3.58Å; H12-Y254 AromaticContact ND1-CD1 3.79Å; H12-Y254 AromaticContact ND1-CE1 3.85Å; H12-Y254 AromaticContact NE2-CD1 3.84Å | ||
| 13 | P | 81.6 | Confident | 65.4 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | trans | -47.1 | 138.8 | 179 | -29.9 | 31.4 | 0 | 0 | 0 | 111.7 | L15 L16 K17 | P13-L15 PolarHBondContact O-N 3.01Å; P13-L16 HydrophobicContact CB-CD1 4.15Å; P13-L16 HydrophobicContact CG-CD1 3.88Å; P13-L16 WeakPolarHBondContact O-CB 3.49Å; P13-L16 PolarHBondContact O-N 2.95Å; P13-K17 PolarHBondContact O-N 3.47Å | ||
| 14 | R | 81.8 | Confident | 68.4 | Low | 82 Ų | 82 | 90.3 Ų | 90.3 | 31% | 0.309 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -47.8 | -39.2 | 178.8 | -70 | -177.3 | -177 | -168.6 | 0.9 | 113.1 | H12 L16 K17 L18 N308 S310 Q311 | H12-R14 PolarHBondContact O-N 3.05Å; R14-L16 VanDerWaalsContact C-N 3.31Å; R14-L16 PolarHBondContact O-N 2.92Å; R14-K17 PolarHBondContact O-N 3.3Å; R14-L18 WeakPolarHBondContact O-CB 3.3Å; R14-L18 PolarHBondContact O-N 2.92Å; R14-N308 PolarHBondContact NH2-O 2.87Å; R14-S310 PolarHBondContact NE-O 3.19Å; R14-S310 VanDerWaalsContact NH2-C 3.3Å; R14-S310 PolarHBondContact NH2-O 3.38Å; R14-Q311 VanDerWaalsContact NH2-NE2 3.17Å |
| 15 | L | 85.6 | Confident | 71.1 | Confident | 133 Ų | 133 | 84.5 Ų | 84.5 | 70% | 0.696 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.4 | -39.3 | 179.5 | -171.3 | 144.7 | 0 | 0 | 0 | 112 | P13 S19 | P13-L15 PolarHBondContact O-N 3.01Å; L15-S19 WeakPolarHBondContact O-CB 3.28Å; L15-S19 PolarHBondContact O-N 3.36Å; L15-S19 PolarHBondContact O-OG 2.89Å; L15-S19 VanDerWaalsContact O-OG 3.11Å |
| 16 | L | 86.8 | Confident | 73.8 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.2 | -39.9 | 176.6 | -78.8 | 155.3 | 0 | 0 | 0 | 112.2 | P13 R14 S19 S20 Y254 | P13-L16 HydrophobicContact CB-CD1 4.15Å; P13-L16 HydrophobicContact CG-CD1 3.88Å; P13-L16 WeakPolarHBondContact O-CB 3.49Å; P13-L16 PolarHBondContact O-N 2.95Å; R14-L16 VanDerWaalsContact C-N 3.31Å; R14-L16 PolarHBondContact O-N 2.92Å; L16-S19 WeakPolarHBondContact CA-OG 3.47Å; L16-S19 PolarHBondContact O-OG 3.42Å; L16-S20 VanDerWaalsContact O-CB 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.3Å; L16-S20 PolarHBondContact O-N 3.25Å; L16-S20 PolarHBondContact O-OG 3.11Å; L16-Y254 HydrophobicContact CB-CD1 4.42Å; L16-Y254 HydrophobicContact CD2-CE1 4.42Å |
| 17 | K | 87.6 | Confident | 76.5 | Confident | 24 Ų | 24 | 73.7 Ų | 73.7 | 10% | 0.104 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 174.5 | -74.1 | 177.6 | 179.4 | 168.4 | 0 | 110.7 | E11 H12 P13 R14 S20 A21 N255 F307 S310 | E11-K17 IonicContact OE1-NZ 3.87Å; E11-K17 PolarHBondContact OE1-NZ 2.95Å; H12-K17 HydrophobicContact CB-CG 4.43Å; H12-K17 VanDerWaalsContact O-CE 3.31Å; H12-K17 WeakPolarHBondContact O-CE 3.37Å; P13-K17 PolarHBondContact O-N 3.47Å; R14-K17 PolarHBondContact O-N 3.3Å; K17-S20 PolarHBondContact O-OG 3.4Å; K17-A21 PolarHBondContact O-N 2.89Å; K17-N255 WeakPolarHBondContact CA-OD1 3.32Å; K17-N255 VanDerWaalsContact CB-OD1 3.22Å; K17-N255 WeakPolarHBondContact CB-OD1 3.46Å; K17-N255 PolarHBondContact O-ND2 2.89Å; K17-N255 PolarHBondContact O-OD1 3.49Å; K17-F307 HydrophobicContact CB-CD1 4.16Å; K17-F307 HydrophobicContact CB-CE1 4.02Å; K17-S310 PolarHBondContact NZ-OG 2.71Å |
| 18 | L | 89.2 | Confident | 79.3 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.3 | -45.3 | 178.6 | -178 | 63.6 | 0 | 0 | 0 | 112.4 | R14 S20 A21 L22 F307 | R14-L18 WeakPolarHBondContact O-CB 3.3Å; R14-L18 PolarHBondContact O-N 2.92Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 2.63Å; L18-A21 PolarHBondContact O-N 2.88Å; L18-L22 HydrophobicContact CD1-CD1 4.24Å; L18-L22 HydrophobicContact CD1-CG 4.23Å; L18-L22 HydrophobicContact CG-CD1 3.97Å; L18-L22 HydrophobicContact CG-CG 4.37Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 3.17Å; L18-F307 HydrophobicContact CD1-CD2 4.16Å; L18-F307 HydrophobicContact CD1-CE2 4.22Å; L18-F307 HydrophobicContact CD1-CG 4.48Å |
| 19 | S | 90.3 | Very high | 82 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | -178.4 | 72.7 | 0 | 0 | 0 | 0 | 111.8 | L15 L16 L22 F23 | L15-S19 WeakPolarHBondContact O-CB 3.28Å; L15-S19 PolarHBondContact O-N 3.36Å; L15-S19 PolarHBondContact O-OG 2.89Å; L15-S19 VanDerWaalsContact O-OG 3.11Å; L16-S19 WeakPolarHBondContact CA-OG 3.47Å; L16-S19 PolarHBondContact O-OG 3.42Å; S19-L22 PolarHBondContact O-N 3.34Å; S19-F23 WeakPolarHBondContact O-CB 3.44Å; S19-F23 PolarHBondContact O-N 3.5Å |
| 20 | S | 91.6 | Very high | 84.5 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 176 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | L16 K17 L18 Y24 N255 | L16-S20 VanDerWaalsContact O-CB 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.3Å; L16-S20 PolarHBondContact O-N 3.25Å; L16-S20 PolarHBondContact O-OG 3.11Å; K17-S20 PolarHBondContact O-OG 3.4Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 2.63Å; S20-Y24 WeakPolarHBondContact O-CB 3.39Å; S20-Y24 PolarHBondContact O-N 3.27Å; S20-N255 PolarHBondContact OG-ND2 2.94Å |
| 21 | A | 90.8 | Very high | 86.6 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K17 L18 Y24 A25 V263 F307 | K17-A21 PolarHBondContact O-N 2.89Å; L18-A21 PolarHBondContact O-N 2.88Å; A21-Y24 PolarHBondContact O-N 3.43Å; A21-A25 WeakPolarHBondContact O-CB 3.28Å; A21-A25 PolarHBondContact O-N 2.88Å; A21-V263 HydrophobicContact CB-CG2 4.09Å; A21-F307 HydrophobicContact CB-CE1 4.45Å; A21-F307 HydrophobicContact CB-CE2 4.48Å; A21-F307 HydrophobicContact CB-CZ 3.7Å |
| 22 | L | 91.1 | Very high | 88.1 | Confident | 110 Ų | 110 | 52.1 Ų | 52.1 | 58% | 0.576 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 175.7 | -72.3 | 174.2 | 0 | 0 | 0 | 111.7 | L18 S19 Y24 A25 G26 | L18-L22 HydrophobicContact CD1-CD1 4.24Å; L18-L22 HydrophobicContact CD1-CG 4.23Å; L18-L22 HydrophobicContact CG-CD1 3.97Å; L18-L22 HydrophobicContact CG-CG 4.37Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 3.17Å; S19-L22 PolarHBondContact O-N 3.34Å; L22-Y24 VanDerWaalsContact C-N 3.33Å; L22-Y24 PolarHBondContact O-N 2.85Å; L22-A25 PolarHBondContact O-N 3.38Å; L22-G26 PolarHBondContact O-N 3.44Å |
| 23 | F | 93.6 | Very high | 88.8 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.2 | 179.8 | -116.5 | 0 | 0 | 0 | 111.6 | S19 S27 V243 Y246 S247 L250 | S19-F23 WeakPolarHBondContact O-CB 3.44Å; S19-F23 PolarHBondContact O-N 3.5Å; F23-S27 WeakPolarHBondContact O-CB 3.45Å; F23-S27 PolarHBondContact O-N 3.46Å; F23-S27 PolarHBondContact O-OG 3.08Å; F23-V243 HydrophobicContact CE2-CG1 4.38Å; F23-V243 HydrophobicContact CZ-CG1 3.83Å; F23-Y246 HydrophobicContact CE1-CD1 4.12Å; F23-Y246 HydrophobicContact CE1-CE1 4.43Å; F23-S247 VanDerWaalsContact CD1-CB 3.47Å; F23-S247 VanDerWaalsContact CE1-CB 3.46Å; F23-L250 HydrophobicContact CD1-CD2 4.5Å |
| 24 | Y | 92.9 | Very high | 89.2 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -48.7 | 173.2 | 166.7 | -127.5 | 0 | 0 | 0 | 112.3 | S20 A21 L22 G26 S27 S28 L244 I248 C251 T260 V263 G264 | S20-Y24 WeakPolarHBondContact O-CB 3.39Å; S20-Y24 PolarHBondContact O-N 3.27Å; A21-Y24 PolarHBondContact O-N 3.43Å; L22-Y24 VanDerWaalsContact C-N 3.33Å; L22-Y24 PolarHBondContact O-N 2.85Å; Y24-G26 PolarHBondContact O-N 2.99Å; Y24-S27 PolarHBondContact O-N 3.17Å; Y24-S28 WeakPolarHBondContact O-CB 3.41Å; Y24-S28 PolarHBondContact O-N 3.37Å; Y24-L244 HydrophobicContact CD2-CD1 4.12Å; Y24-L244 HydrophobicContact CE2-CD1 3.91Å; Y24-I248 HydrophobicContact CD2-CG1 3.61Å; Y24-I248 HydrophobicContact CE2-CD1 4.01Å; Y24-I248 HydrophobicContact CE2-CG1 3.3Å; Y24-C251 HydrophobicContact CG-CB 4.47Å; Y24-T260 HydrophobicContact CD1-CG2 4.45Å; Y24-T260 HydrophobicContact CE1-CG2 4.08Å; Y24-T260 WeakPolarHBondContact CE1-O 3.26Å; Y24-V263 HydrophobicContact CD1-CB 4.09Å; Y24-V263 HydrophobicContact CD1-CG1 3.59Å; Y24-V263 HydrophobicContact CE1-CB 4.14Å; Y24-V263 HydrophobicContact CE1-CG1 3.94Å; Y24-G264 WeakPolarHBondContact OH-CA 3.43Å |
| 25 | A | 90.6 | Very high | 89.5 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 24% | 0.24 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | A21 L22 S28 F29 V263 | A21-A25 WeakPolarHBondContact O-CB 3.28Å; A21-A25 PolarHBondContact O-N 2.88Å; L22-A25 PolarHBondContact O-N 3.38Å; A25-S28 PolarHBondContact O-N 3.35Å; A25-F29 WeakPolarHBondContact O-CB 3.12Å; A25-F29 PolarHBondContact O-N 3.28Å; A25-V263 HydrophobicContact CB-CG1 3.99Å |
| 26 | G | 91.8 | Very high | 89.4 | Confident | 34 Ų | 34 | 48 Ų | 48 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L22 Y24 S28 F29 L30 | L22-G26 PolarHBondContact O-N 3.44Å; Y24-G26 PolarHBondContact O-N 2.99Å; G26-S28 VanDerWaalsContact C-N 3.31Å; G26-S28 PolarHBondContact O-N 3.23Å; G26-F29 PolarHBondContact O-N 2.78Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 3.38Å |
| 27 | S | 91.9 | Very high | 89.4 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | F23 Y24 L30 I31 | F23-S27 WeakPolarHBondContact O-CB 3.45Å; F23-S27 PolarHBondContact O-N 3.46Å; F23-S27 PolarHBondContact O-OG 3.08Å; Y24-S27 PolarHBondContact O-N 3.17Å; S27-L30 PolarHBondContact O-N 3.11Å; S27-I31 VanDerWaalsContact O-CG2 3.23Å; S27-I31 WeakPolarHBondContact O-CG2 3.29Å; S27-I31 PolarHBondContact O-N 2.84Å |
| 28 | S | 89.4 | Confident | 89.4 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -33.5 | 177.4 | -166 | 0 | 0 | 0 | 0 | 113.1 | Y24 A25 G26 I31 T32 K267 | Y24-S28 WeakPolarHBondContact O-CB 3.41Å; Y24-S28 PolarHBondContact O-N 3.37Å; A25-S28 PolarHBondContact O-N 3.35Å; G26-S28 VanDerWaalsContact C-N 3.31Å; G26-S28 PolarHBondContact O-N 3.23Å; S28-I31 VanDerWaalsContact O-CG2 3.3Å; S28-I31 WeakPolarHBondContact O-CG2 3.31Å; S28-T32 PolarHBondContact O-N 2.87Å; S28-T32 PolarHBondContact O-OG1 2.8Å; S28-K267 WeakPolarHBondContact OG-CD 3.5Å |
| 29 | F | 88.1 | Confident | 89.3 | Confident | 84 Ų | 84 | 45.2 Ų | 45.2 | 37% | 0.368 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.6 | -50.7 | 171.5 | 178.5 | -100.6 | 0 | 0 | 0 | 111.4 | A25 G26 I31 T32 V33 V271 I274 | A25-F29 WeakPolarHBondContact O-CB 3.12Å; A25-F29 PolarHBondContact O-N 3.28Å; G26-F29 PolarHBondContact O-N 2.78Å; F29-I31 PolarHBondContact O-N 2.57Å; F29-T32 WeakPolarHBondContact O-CB 3.31Å; F29-T32 PolarHBondContact O-N 3.26Å; F29-V33 HydrophobicContact CD1-CG2 4.48Å; F29-V33 HydrophobicContact CE1-CG2 4.02Å; F29-V33 HydrophobicContact CE2-CG2 4.44Å; F29-V33 HydrophobicContact CZ-CG2 3.99Å; F29-V33 PolarHBondContact O-N 3.04Å; F29-V33 VanDerWaalsContact O-N 3.13Å; F29-V271 HydrophobicContact CD2-CG2 4.02Å; F29-V271 HydrophobicContact CE2-CG2 4.45Å; F29-I274 HydrophobicContact CE2-CD1 3.65Å; F29-I274 HydrophobicContact CZ-CD1 4.2Å |
| 30 | L | 89.6 | Confident | 89 | Confident | 88 Ų | 88 | 46.8 Ų | 46.8 | 46% | 0.461 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | -178.4 | -73.8 | 172.3 | 0 | 0 | 0 | 112.2 | G26 S27 T32 V33 V34 M240 | G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 3.38Å; S27-L30 PolarHBondContact O-N 3.11Å; L30-T32 PolarHBondContact O-N 3.41Å; L30-V33 PolarHBondContact O-N 3.42Å; L30-V33 VanDerWaalsContact O-N 3.12Å; L30-V34 WeakPolarHBondContact O-CG2 3.36Å; L30-V34 PolarHBondContact O-N 3.48Å; L30-M240 HydrophobicContact CD1-CE 4.5Å |
| 31 | I | 89.6 | Confident | 88.7 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -32.6 | 177.3 | -167.3 | -177.9 | 0 | 0 | 0 | 112 | S27 S28 F29 V33 V34 N35 M240 G241 L244 | S27-I31 VanDerWaalsContact O-CG2 3.23Å; S27-I31 WeakPolarHBondContact O-CG2 3.29Å; S27-I31 PolarHBondContact O-N 2.84Å; S28-I31 VanDerWaalsContact O-CG2 3.3Å; S28-I31 WeakPolarHBondContact O-CG2 3.31Å; F29-I31 PolarHBondContact O-N 2.57Å; I31-V33 VanDerWaalsContact C-N 3.34Å; I31-V33 PolarHBondContact O-N 2.84Å; I31-V34 PolarHBondContact O-N 3.08Å; I31-N35 WeakPolarHBondContact O-CB 3.27Å; I31-N35 PolarHBondContact O-N 3.38Å; I31-N35 PolarHBondContact O-OD1 2.86Å; I31-M240 HydrophobicContact CB-CB 4.12Å; I31-M240 HydrophobicContact CD1-CB 4.48Å; I31-M240 HydrophobicContact CG1-CB 3.99Å; I31-G241 VanDerWaalsContact CD1-CA 3.47Å; I31-L244 HydrophobicContact CD1-CB 3.98Å; I31-L244 HydrophobicContact CD1-CD2 3.77Å; I31-L244 HydrophobicContact CD1-CG 4.5Å; I31-L244 HydrophobicContact CG2-CB 4.4Å; I31-L244 HydrophobicContact CG2-CD1 4.44Å; I31-L244 HydrophobicContact CG2-CD2 3.94Å; I31-L244 HydrophobicContact CG2-CG 4.47Å |
| 32 | T | 85.7 | Confident | 88.4 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | S28 F29 L30 K36 V271 | S28-T32 PolarHBondContact O-N 2.87Å; S28-T32 PolarHBondContact O-OG1 2.8Å; F29-T32 WeakPolarHBondContact O-CB 3.31Å; F29-T32 PolarHBondContact O-N 3.26Å; L30-T32 PolarHBondContact O-N 3.41Å; T32-K36 WeakPolarHBondContact O-CB 3.2Å; T32-K36 PolarHBondContact O-N 3.1Å; T32-V271 HydrophobicContact CG2-CG1 4.19Å |
| 33 | V | 86.4 | Confident | 88.3 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.6 | -51 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | F29 L30 I31 N35 K36 T37 | F29-V33 HydrophobicContact CD1-CG2 4.48Å; F29-V33 HydrophobicContact CE1-CG2 4.02Å; F29-V33 HydrophobicContact CE2-CG2 4.44Å; F29-V33 HydrophobicContact CZ-CG2 3.99Å; F29-V33 PolarHBondContact O-N 3.04Å; F29-V33 VanDerWaalsContact O-N 3.13Å; L30-V33 PolarHBondContact O-N 3.42Å; L30-V33 VanDerWaalsContact O-N 3.12Å; I31-V33 VanDerWaalsContact C-N 3.34Å; I31-V33 PolarHBondContact O-N 2.84Å; V33-N35 PolarHBondContact O-N 3.23Å; V33-K36 WeakPolarHBondContact O-CB 3.24Å; V33-K36 PolarHBondContact O-N 2.76Å; V33-K36 VanDerWaalsContact O-N 3.16Å; V33-T37 PolarHBondContact O-N 3.04Å; V33-T37 PolarHBondContact O-OG1 3.32Å |
| 34 | V | 88.6 | Confident | 87.9 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | -178.5 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | L30 I31 K36 T37 V38 L236 | L30-V34 WeakPolarHBondContact O-CG2 3.36Å; L30-V34 PolarHBondContact O-N 3.48Å; I31-V34 PolarHBondContact O-N 3.08Å; V34-K36 VanDerWaalsContact C-N 3.3Å; V34-K36 PolarHBondContact O-N 2.72Å; V34-T37 WeakPolarHBondContact O-CB 3.48Å; V34-T37 PolarHBondContact O-N 3.14Å; V34-V38 PolarHBondContact O-N 2.89Å; V34-V38 VanDerWaalsContact O-N 3.08Å; V34-L236 HydrophobicContact CG1-CD2 4.36Å; V34-L236 HydrophobicContact CG1-CG 4.24Å; V34-L236 HydrophobicContact CG2-CD2 4.41Å |
| 35 | N | 89.3 | Confident | 87.5 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.7 | -70.2 | 0.2 | 0 | 0 | 0 | 111.4 | I31 V33 T37 V38 L39 L50 Q54 S237 | I31-N35 WeakPolarHBondContact O-CB 3.27Å; I31-N35 PolarHBondContact O-N 3.38Å; I31-N35 PolarHBondContact O-OD1 2.86Å; V33-N35 PolarHBondContact O-N 3.23Å; N35-T37 VanDerWaalsContact C-N 3.34Å; N35-V38 PolarHBondContact O-N 3.17Å; N35-L39 WeakPolarHBondContact O-CB 3.3Å; N35-L39 WeakPolarHBondContact O-CG 3.32Å; N35-L39 PolarHBondContact O-N 3.24Å; N35-L50 HydrophobicContact CB-CD2 4.42Å; N35-Q54 PolarHBondContact OD1-NE2 3.5Å; N35-S237 PolarHBondContact OD1-OG 3.48Å |
| 36 | K | 83.3 | Confident | 87.2 | Confident | 128 Ų | 128 | 53.4 Ų | 53.4 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 175.5 | -171.9 | 172.7 | -177.5 | 174.6 | 0 | 111.3 | T32 V33 V34 V38 T40 S41 | T32-K36 WeakPolarHBondContact O-CB 3.2Å; T32-K36 PolarHBondContact O-N 3.1Å; V33-K36 WeakPolarHBondContact O-CB 3.24Å; V33-K36 PolarHBondContact O-N 2.76Å; V33-K36 VanDerWaalsContact O-N 3.16Å; V34-K36 VanDerWaalsContact C-N 3.3Å; V34-K36 PolarHBondContact O-N 2.72Å; K36-V38 PolarHBondContact O-N 2.87Å; K36-T40 WeakPolarHBondContact O-CA 3.32Å; K36-T40 WeakPolarHBondContact O-CB 3.41Å; K36-T40 PolarHBondContact O-N 2.93Å; K36-T40 PolarHBondContact O-OG1 3.01Å; K36-S41 PolarHBondContact O-N 3.31Å |
| 37 | T | 85.9 | Confident | 86.8 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 31% | 0.307 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -59.7 | -46.9 | 173.7 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | V33 V34 N35 S41 F42 | V33-T37 PolarHBondContact O-N 3.04Å; V33-T37 PolarHBondContact O-OG1 3.32Å; V34-T37 WeakPolarHBondContact O-CB 3.48Å; V34-T37 PolarHBondContact O-N 3.14Å; N35-T37 VanDerWaalsContact C-N 3.34Å; T37-S41 WeakPolarHBondContact O-CA 3.47Å; T37-S41 WeakPolarHBondContact O-CB 3.38Å; T37-S41 PolarHBondContact O-N 3.43Å; T37-S41 VanDerWaalsContact O-N 3.09Å; T37-F42 HydrophobicContact CG2-CD2 4.17Å; T37-F42 HydrophobicContact CG2-CE2 3.91Å; T37-F42 WeakPolarHBondContact O-CD2 3.45Å; T37-F42 PolarHBondContact O-N 3.07Å |
| 38 | V | 88.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -65.5 | -49 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 112 | V34 N35 K36 F42 F44 L50 F230 C233 F234 | V34-V38 PolarHBondContact O-N 2.89Å; V34-V38 VanDerWaalsContact O-N 3.08Å; N35-V38 PolarHBondContact O-N 3.17Å; K36-V38 PolarHBondContact O-N 2.87Å; V38-F42 WeakPolarHBondContact O-CB 3.07Å; V38-F44 HydrophobicContact CG1-CB 4Å; V38-F44 HydrophobicContact CG1-CD1 4.37Å; V38-F44 HydrophobicContact CG1-CG 4.34Å; V38-F44 VanDerWaalsContact O-CB 3.25Å; V38-F44 WeakPolarHBondContact O-CB 3.36Å; V38-F44 PolarHBondContact O-N 2.93Å; V38-L50 HydrophobicContact CG1-CD1 4.18Å; V38-L50 HydrophobicContact CG1-CD2 4.29Å; V38-F230 HydrophobicContact CG1-CE2 4.07Å; V38-C233 HydrophobicContact CG2-CB 4.12Å; V38-F234 HydrophobicContact CG1-CD2 4.19Å |
| 39 | L | 86.3 | Confident | 86.3 | Confident | 54 Ų | 54 | 59 Ų | 59 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -79.8 | -35.9 | -173.1 | -64.4 | 173 | 0 | 0 | 0 | 113.2 | N35 R43 F44 L50 | N35-L39 WeakPolarHBondContact O-CB 3.3Å; N35-L39 WeakPolarHBondContact O-CG 3.32Å; N35-L39 PolarHBondContact O-N 3.24Å; L39-R43 VanDerWaalsContact O-CA 3.32Å; L39-R43 WeakPolarHBondContact O-CA 3.28Å; L39-F44 HydrophobicContact CD2-CB 4.41Å; L39-F44 HydrophobicContact CD2-CD1 4.07Å; L39-L50 HydrophobicContact CD1-CD2 4.29Å; L39-L50 HydrophobicContact CD2-CD2 4.14Å; L39-L50 HydrophobicContact CG-CD2 4.1Å |
| 40 | T | 84.4 | Confident | 86.3 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -102.5 | -48.6 | -173.3 | -50 | 0 | 0 | 0 | 0 | 112.3 | K36 R43 | K36-T40 WeakPolarHBondContact O-CA 3.32Å; K36-T40 WeakPolarHBondContact O-CB 3.41Å; K36-T40 PolarHBondContact O-N 2.93Å; K36-T40 PolarHBondContact O-OG1 3.01Å; T40-R43 WeakPolarHBondContact O-CG 3.19Å |
| 41 | S | 84.4 | Confident | 86.1 | Confident | 88 Ų | 88 | 51.7 Ų | 51.7 | 62% | 0.615 | 27% | 0.267 | S | S | * | . | I | π-helix | trans | -74.2 | -46.9 | -177.4 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | K36 T37 R43 | K36-S41 PolarHBondContact O-N 3.31Å; T37-S41 WeakPolarHBondContact O-CA 3.47Å; T37-S41 WeakPolarHBondContact O-CB 3.38Å; T37-S41 PolarHBondContact O-N 3.43Å; T37-S41 VanDerWaalsContact O-N 3.09Å; S41-R43 VanDerWaalsContact C-N 3.3Å |
| 42 | F | 86.3 | Confident | 86 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 18% | 0.18 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -84.1 | -3.7 | 173.5 | -67.8 | -73.8 | 0 | 0 | 0 | 113.3 | T37 V38 F44 F222 V229 F230 C233 | T37-F42 HydrophobicContact CG2-CD2 4.17Å; T37-F42 HydrophobicContact CG2-CE2 3.91Å; T37-F42 WeakPolarHBondContact O-CD2 3.45Å; T37-F42 PolarHBondContact O-N 3.07Å; V38-F42 WeakPolarHBondContact O-CB 3.07Å; F42-F44 PolarHBondContact O-N 3.32Å; F42-F222 WeakPolarHBondContact O-CZ 3.48Å; F42-V229 HydrophobicContact CZ-CB 4.46Å; F42-V229 HydrophobicContact CZ-CG1 3.91Å; F42-F230 HydrophobicContact CB-CD2 3.68Å; F42-F230 HydrophobicContact CB-CE2 4.16Å; F42-F230 HydrophobicContact CD1-CB 4.04Å; F42-F230 HydrophobicContact CD1-CD2 4.13Å; F42-F230 HydrophobicContact CD2-CD2 4.17Å; F42-F230 HydrophobicContact CE1-CB 4.13Å; F42-F230 HydrophobicContact CG-CB 4.44Å; F42-F230 AromaticContact CG-CD2 3.75Å; F42-F230 HydrophobicContact CG-CD2 3.75Å; F42-C233 HydrophobicContact CE2-CB 4.05Å |
| 43 | R | 87 | Confident | 86.1 | Confident | 205 Ų | 205 | 50.2 Ų | 50.2 | 77% | 0.774 | 26% | 0.26 | S | S | * | . | trans | 54.9 | 35.1 | 178.4 | -58.9 | -179.6 | 171.5 | 167.5 | -2.6 | 113.7 | L39 T40 S41 | L39-R43 VanDerWaalsContact O-CA 3.32Å; L39-R43 WeakPolarHBondContact O-CA 3.28Å; T40-R43 WeakPolarHBondContact O-CG 3.19Å; S41-R43 VanDerWaalsContact C-N 3.3Å | ||
| 44 | F | 86.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | trans | -61.2 | 124.4 | 178 | -174.5 | -115.9 | 0 | 0 | 0 | 110.6 | V38 L39 F42 S46 F49 L50 A219 F222 W225 F230 F234 | V38-F44 HydrophobicContact CG1-CB 4Å; V38-F44 HydrophobicContact CG1-CD1 4.37Å; V38-F44 HydrophobicContact CG1-CG 4.34Å; V38-F44 VanDerWaalsContact O-CB 3.25Å; V38-F44 WeakPolarHBondContact O-CB 3.36Å; V38-F44 PolarHBondContact O-N 2.93Å; L39-F44 HydrophobicContact CD2-CB 4.41Å; L39-F44 HydrophobicContact CD2-CD1 4.07Å; F42-F44 PolarHBondContact O-N 3.32Å; F44-S46 VanDerWaalsContact C-N 3.34Å; F44-S46 WeakPolarHBondContact CD1-O 3.46Å; F44-S46 WeakPolarHBondContact CE1-O 3.47Å; F44-S46 PolarHBondContact O-N 2.91Å; F44-F49 HydrophobicContact CE1-CB 4.28Å; F44-F49 HydrophobicContact CE1-CD1 4.09Å; F44-F49 HydrophobicContact CZ-CB 4.33Å; F44-F49 AromaticContact CZ-CD1 3.65Å; F44-F49 HydrophobicContact CZ-CD1 3.65Å; F44-F49 HydrophobicContact CZ-CE1 4.4Å; F44-F49 HydrophobicContact CZ-CG 4.32Å; F44-L50 HydrophobicContact CE1-CB 4.44Å; F44-A219 HydrophobicContact CE2-CB 4.31Å; F44-A219 HydrophobicContact CZ-CB 3.74Å; F44-F222 HydrophobicContact CD2-CB 4.48Å; F44-F222 AromaticContact CD2-CD1 3.56Å; F44-F222 HydrophobicContact CD2-CD1 3.56Å; F44-F222 HydrophobicContact CD2-CD2 4.31Å; F44-F222 AromaticContact CD2-CE1 3.71Å; F44-F222 HydrophobicContact CD2-CE1 3.71Å; F44-F222 HydrophobicContact CD2-CE2 4.48Å; F44-F222 AromaticContact CD2-CG 3.87Å; F44-F222 HydrophobicContact CD2-CG 3.87Å; F44-F222 HydrophobicContact CD2-CZ 4.21Å; F44-F222 HydrophobicContact CE2-CB 4.23Å; F44-F222 AromaticContact CE2-CD1 3.89Å; F44-F222 HydrophobicContact CE2-CD1 3.89Å; F44-F222 HydrophobicContact CE2-CE1 4.46Å; F44-F222 HydrophobicContact CE2-CG 4.09Å; F44-W225 HydrophobicContact CE2-CZ2 4.01Å; F44-W225 HydrophobicContact CZ-CZ2 4.21Å; F44-F230 HydrophobicContact CB-CE2 4.12Å; F44-F230 HydrophobicContact CB-CZ 4.48Å; F44-F230 HydrophobicContact CD2-CE2 4.04Å; F44-F230 AromaticContact CD2-CZ 3.56Å; F44-F230 HydrophobicContact CD2-CZ 3.56Å; F44-F230 HydrophobicContact CE2-CZ 4.02Å; F44-F230 HydrophobicContact CG-CE2 4.27Å; F44-F230 HydrophobicContact CG-CZ 4.15Å; F44-F234 AromaticContact CE1-CE2 3.91Å; F44-F234 HydrophobicContact CE1-CE2 3.91Å; F44-F234 HydrophobicContact CZ-CE2 4.03Å | ||
| 45 | P | 83.6 | Confident | 86.4 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -78.4 | -10.7 | -164.2 | 29 | -36.9 | 0 | 0 | 0 | 114.9 | K218 F222 | P45-K218 HydrophobicContact CB-CB 4.24Å; P45-K218 HydrophobicContact CG-CB 4.11Å; P45-K218 WeakPolarHBondContact CG-O 3.49Å; P45-F222 VanDerWaalsContact CD-CD2 3.43Å; P45-F222 HydrophobicContact CG-CD2 4.1Å |
| 46 | S | 84.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -130.8 | 112.2 | -175.2 | -179.2 | 0 | 0 | 0 | 0 | 113.8 | F44 L48 F49 L50 D215 | F44-S46 VanDerWaalsContact C-N 3.34Å; F44-S46 WeakPolarHBondContact CD1-O 3.46Å; F44-S46 WeakPolarHBondContact CE1-O 3.47Å; F44-S46 PolarHBondContact O-N 2.91Å; S46-L48 PolarHBondContact OG-N 3.23Å; S46-F49 WeakPolarHBondContact OG-CB 3.4Å; S46-F49 PolarHBondContact OG-N 3.2Å; S46-F49 VanDerWaalsContact OG-N 3.07Å; S46-L50 PolarHBondContact O-N 3.34Å; S46-D215 WeakPolarHBondContact CB-O 3.49Å; S46-D215 VanDerWaalsContact OG-CB 3.25Å; S46-D215 WeakPolarHBondContact OG-CB 3.21Å; S46-D215 PolarHBondContact OG-OD2 3.31Å | ||
| 47 | Y | 84 | Confident | 86.7 | Confident | 121 Ų | 121 | 46.5 Ų | 46.5 | 48% | 0.475 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.6 | -28.9 | 171.3 | 68.4 | -83.9 | 0 | 0 | 0 | 112.4 | L50 G51 L99 | Y47-L50 PolarHBondContact O-N 3.08Å; Y47-G51 PolarHBondContact O-N 3.5Å; Y47-L99 WeakPolarHBondContact OH-CD1 3.27Å |
| 48 | L | 83.8 | Confident | 86.8 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 177.1 | -68.5 | 177.2 | 0 | 0 | 0 | 111 | S46 L50 G51 I52 T206 T213 D215 | S46-L48 PolarHBondContact OG-N 3.23Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.97Å; L48-G51 PolarHBondContact O-N 2.89Å; L48-I52 WeakPolarHBondContact O-CG1 3.17Å; L48-I52 PolarHBondContact O-N 3.42Å; L48-T206 HydrophobicContact CD2-CG2 4.25Å; L48-T213 WeakPolarHBondContact CD1-OG1 3.34Å; L48-D215 HydrophobicContact CB-CB 4.46Å; L48-D215 HydrophobicContact CD1-CB 4.29Å |
| 49 | F | 86.4 | Confident | 86.8 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.4 | -171.5 | -94.5 | 0 | 0 | 0 | 112.3 | F44 S46 G51 I52 G53 L216 A219 W225 F234 | F44-F49 HydrophobicContact CE1-CB 4.28Å; F44-F49 HydrophobicContact CE1-CD1 4.09Å; F44-F49 HydrophobicContact CZ-CB 4.33Å; F44-F49 AromaticContact CZ-CD1 3.65Å; F44-F49 HydrophobicContact CZ-CD1 3.65Å; F44-F49 HydrophobicContact CZ-CE1 4.4Å; F44-F49 HydrophobicContact CZ-CG 4.32Å; S46-F49 WeakPolarHBondContact OG-CB 3.4Å; S46-F49 PolarHBondContact OG-N 3.2Å; S46-F49 VanDerWaalsContact OG-N 3.07Å; F49-G51 VanDerWaalsContact C-N 3.32Å; F49-G51 PolarHBondContact O-N 3.34Å; F49-I52 PolarHBondContact O-N 2.67Å; F49-G53 PolarHBondContact O-N 3.33Å; F49-L216 HydrophobicContact CD2-CD1 3.5Å; F49-L216 HydrophobicContact CE2-CD1 3.53Å; F49-A219 HydrophobicContact CB-CB 3.61Å; F49-A219 HydrophobicContact CD1-CB 3.8Å; F49-A219 HydrophobicContact CD2-CB 3.76Å; F49-A219 HydrophobicContact CE1-CB 4.39Å; F49-A219 HydrophobicContact CE2-CB 4.36Å; F49-A219 HydrophobicContact CG-CB 3.43Å; F49-A219 VanDerWaalsContact CG-CB 3.43Å; F49-W225 HydrophobicContact CD1-CZ2 4.43Å; F49-W225 AromaticContact CE1-CH2 3.96Å; F49-W225 HydrophobicContact CE1-CH2 3.96Å; F49-W225 AromaticContact CE1-CZ2 3.73Å; F49-W225 HydrophobicContact CE1-CZ2 3.73Å; F49-W225 HydrophobicContact CZ-CZ2 4.47Å; F49-F234 HydrophobicContact CD1-CE2 4.13Å; F49-F234 AromaticContact CD1-CZ 3.84Å; F49-F234 HydrophobicContact CD1-CZ 3.84Å; F49-F234 HydrophobicContact CE1-CE2 4.35Å; F49-F234 AromaticContact CE1-CZ 3.76Å; F49-F234 HydrophobicContact CE1-CZ 3.76Å |
| 50 | L | 87.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.2 | -173.6 | 66 | 0 | 0 | 0 | 111.4 | N35 V38 L39 F44 S46 Y47 L48 G53 Q54 F234 S237 | N35-L50 HydrophobicContact CB-CD2 4.42Å; V38-L50 HydrophobicContact CG1-CD1 4.18Å; V38-L50 HydrophobicContact CG1-CD2 4.29Å; L39-L50 HydrophobicContact CD1-CD2 4.29Å; L39-L50 HydrophobicContact CD2-CD2 4.14Å; L39-L50 HydrophobicContact CG-CD2 4.1Å; F44-L50 HydrophobicContact CE1-CB 4.44Å; S46-L50 PolarHBondContact O-N 3.34Å; Y47-L50 PolarHBondContact O-N 3.08Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.97Å; L50-G53 PolarHBondContact O-N 2.84Å; L50-Q54 WeakPolarHBondContact O-CG 3.45Å; L50-Q54 PolarHBondContact O-N 3.48Å; L50-F234 HydrophobicContact CB-CE2 4.42Å; L50-F234 HydrophobicContact CD1-CD2 3.58Å; L50-F234 HydrophobicContact CD1-CE2 3.38Å; L50-F234 HydrophobicContact CD1-CG 4.35Å; L50-F234 HydrophobicContact CD1-CZ 4.02Å; L50-S237 WeakPolarHBondContact CD1-OG 3.34Å |
| 51 | G | 85.6 | Confident | 87.1 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y47 L48 F49 G53 Q54 M55 | Y47-G51 PolarHBondContact O-N 3.5Å; L48-G51 PolarHBondContact O-N 2.89Å; F49-G51 VanDerWaalsContact C-N 3.32Å; F49-G51 PolarHBondContact O-N 3.34Å; G51-G53 VanDerWaalsContact C-N 3.34Å; G51-Q54 WeakPolarHBondContact O-CB 3.38Å; G51-Q54 PolarHBondContact O-N 2.87Å; G51-M55 WeakPolarHBondContact O-CG 3.49Å; G51-M55 PolarHBondContact O-N 3.43Å |
| 52 | I | 87.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 173.1 | -67.6 | 161.8 | 0 | 0 | 0 | 110.3 | L48 F49 Q54 M55 I56 V203 T206 L207 | L48-I52 WeakPolarHBondContact O-CG1 3.17Å; L48-I52 PolarHBondContact O-N 3.42Å; F49-I52 PolarHBondContact O-N 2.67Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.23Å; I52-M55 HydrophobicContact CG1-CE 4.29Å; I52-M55 PolarHBondContact O-N 2.87Å; I52-I56 HydrophobicContact CG2-CD1 3.6Å; I52-I56 HydrophobicContact CG2-CG1 4.19Å; I52-I56 WeakPolarHBondContact O-CB 3.3Å; I52-I56 WeakPolarHBondContact O-CG1 3.44Å; I52-I56 PolarHBondContact O-N 3.27Å; I52-V203 HydrophobicContact CG2-CG2 4.25Å; I52-T206 HydrophobicContact CD1-CG2 4.32Å; I52-T206 HydrophobicContact CG1-CG2 3.8Å; I52-L207 HydrophobicContact CD1-CB 4.29Å; I52-L207 HydrophobicContact CD1-CD1 3.97Å |
| 53 | G | 88.9 | Confident | 87 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.5 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F49 L50 G51 T57 | F49-G53 PolarHBondContact O-N 3.33Å; L50-G53 PolarHBondContact O-N 2.84Å; G51-G53 VanDerWaalsContact C-N 3.34Å; G53-T57 VanDerWaalsContact O-CB 3.31Å; G53-T57 WeakPolarHBondContact O-CB 3.4Å; G53-T57 PolarHBondContact O-N 3.25Å; G53-T57 PolarHBondContact O-OG1 3.21Å |
| 54 | Q | 91.8 | Very high | 86.9 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 16% | 0.159 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 175.6 | -69.6 | 168.9 | -3.5 | 0 | 0 | 112.3 | N35 L50 G51 I52 T58 S237 | N35-Q54 PolarHBondContact OD1-NE2 3.5Å; L50-Q54 WeakPolarHBondContact O-CG 3.45Å; L50-Q54 PolarHBondContact O-N 3.48Å; G51-Q54 WeakPolarHBondContact O-CB 3.38Å; G51-Q54 PolarHBondContact O-N 2.87Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.23Å; Q54-T58 PolarHBondContact O-N 2.89Å; Q54-T58 PolarHBondContact O-OG1 3.32Å; Q54-S237 PolarHBondContact NE2-OG 2.81Å |
| 55 | M | 88.2 | Confident | 86.7 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.3 | -43.5 | 177.4 | -69.3 | -175.3 | -74.8 | 0 | 0 | 112.4 | G51 I52 T57 T58 I59 I202 V203 T206 | G51-M55 WeakPolarHBondContact O-CG 3.49Å; G51-M55 PolarHBondContact O-N 3.43Å; I52-M55 HydrophobicContact CG1-CE 4.29Å; I52-M55 PolarHBondContact O-N 2.87Å; M55-T57 VanDerWaalsContact C-N 3.31Å; M55-T57 PolarHBondContact O-N 3.27Å; M55-T58 WeakPolarHBondContact O-CB 3.49Å; M55-T58 PolarHBondContact O-N 2.83Å; M55-I59 WeakPolarHBondContact O-CG1 3.49Å; M55-I59 PolarHBondContact O-N 2.71Å; M55-I202 HydrophobicContact CE-CG2 4.16Å; M55-I202 HydrophobicContact SD-CB 3.6Å; M55-I202 VanDerWaalsContact SD-CB 3.6Å; M55-I202 HydrophobicContact SD-CG2 3.34Å; M55-I202 WeakPolarHBondContact SD-CG2 3.39Å; M55-V203 HydrophobicContact CB-CB 4.2Å; M55-V203 HydrophobicContact CB-CG2 4.24Å; M55-V203 HydrophobicContact CE-CB 4.27Å; M55-V203 HydrophobicContact CE-CG2 4.32Å; M55-V203 HydrophobicContact SD-CB 4.19Å; M55-T206 HydrophobicContact CE-CG2 3.83Å |
| 56 | I | 89.4 | Confident | 86.6 | Confident | 84 Ų | 84 | 40.7 Ų | 40.7 | 43% | 0.431 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60 | -45 | 174.9 | -69.5 | 173.1 | 0 | 0 | 0 | 109.9 | I52 T58 I59 V60 V203 | I52-I56 HydrophobicContact CG2-CD1 3.6Å; I52-I56 HydrophobicContact CG2-CG1 4.19Å; I52-I56 WeakPolarHBondContact O-CB 3.3Å; I52-I56 WeakPolarHBondContact O-CG1 3.44Å; I52-I56 PolarHBondContact O-N 3.27Å; I56-T58 VanDerWaalsContact C-N 3.28Å; I56-T58 PolarHBondContact O-N 3.17Å; I56-I59 PolarHBondContact O-N 3.24Å; I56-I59 VanDerWaalsContact O-N 3.14Å; I56-V60 HydrophobicContact CG2-CG2 4.13Å; I56-V60 WeakPolarHBondContact O-CG2 3.34Å; I56-V60 PolarHBondContact O-N 2.99Å; I56-V203 HydrophobicContact CG1-CG2 4.26Å |
| 57 | T | 90.5 | Very high | 86.4 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 177.2 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | G53 M55 I59 V60 V61 C238 F242 | G53-T57 VanDerWaalsContact O-CB 3.31Å; G53-T57 WeakPolarHBondContact O-CB 3.4Å; G53-T57 PolarHBondContact O-N 3.25Å; G53-T57 PolarHBondContact O-OG1 3.21Å; M55-T57 VanDerWaalsContact C-N 3.31Å; M55-T57 PolarHBondContact O-N 3.27Å; T57-I59 PolarHBondContact O-N 2.81Å; T57-V60 PolarHBondContact O-N 2.98Å; T57-V61 HydrophobicContact CG2-CG2 4.14Å; T57-V61 WeakPolarHBondContact O-CB 3.5Å; T57-V61 VanDerWaalsContact O-CG2 3.24Å; T57-V61 WeakPolarHBondContact O-CG2 3.41Å; T57-V61 PolarHBondContact O-N 3.34Å; T57-C238 WeakPolarHBondContact OG1-CB 3.22Å; T57-F242 HydrophobicContact CG2-CB 4.48Å |
| 58 | T | 87.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | Q54 M55 I56 L62 L195 S199 F242 | Q54-T58 PolarHBondContact O-N 2.89Å; Q54-T58 PolarHBondContact O-OG1 3.32Å; M55-T58 WeakPolarHBondContact O-CB 3.49Å; M55-T58 PolarHBondContact O-N 2.83Å; I56-T58 VanDerWaalsContact C-N 3.28Å; I56-T58 PolarHBondContact O-N 3.17Å; T58-L62 HydrophobicContact CG2-CD1 4.03Å; T58-L62 WeakPolarHBondContact O-CB 3.34Å; T58-L62 WeakPolarHBondContact O-CG 3.27Å; T58-L62 PolarHBondContact O-N 3.18Å; T58-L62 VanDerWaalsContact O-N 3.1Å; T58-L195 HydrophobicContact CG2-CD1 4.21Å; T58-L195 HydrophobicContact CG2-CD2 4.44Å; T58-L195 HydrophobicContact CG2-CG 4.01Å; T58-S199 VanDerWaalsContact CG2-OG 3.26Å; T58-S199 WeakPolarHBondContact CG2-OG 3.39Å; T58-F242 HydrophobicContact CG2-CD2 3.87Å; T58-F242 HydrophobicContact CG2-CE2 4.48Å; T58-F242 WeakPolarHBondContact OG1-CA 3.22Å |
| 59 | I | 87.7 | Confident | 85.8 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 18% | 0.179 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 178.3 | -67.2 | 166.8 | 0 | 0 | 0 | 110.5 | M55 I56 T57 L62 Y63 F196 L200 V203 | M55-I59 WeakPolarHBondContact O-CG1 3.49Å; M55-I59 PolarHBondContact O-N 2.71Å; I56-I59 PolarHBondContact O-N 3.24Å; I56-I59 VanDerWaalsContact O-N 3.14Å; T57-I59 PolarHBondContact O-N 2.81Å; I59-L62 PolarHBondContact O-N 3.06Å; I59-Y63 WeakPolarHBondContact O-CB 3.31Å; I59-Y63 PolarHBondContact O-N 3.45Å; I59-F196 HydrophobicContact CB-CE2 4.47Å; I59-F196 HydrophobicContact CG2-CE2 3.78Å; I59-F196 HydrophobicContact CG2-CZ 4.34Å; I59-L200 HydrophobicContact CD1-CB 4.41Å; I59-V203 HydrophobicContact CD1-CG1 4.2Å |
| 60 | V | 88.7 | Confident | 85 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | -178.5 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | I56 T57 L62 Y63 L64 | I56-V60 HydrophobicContact CG2-CG2 4.13Å; I56-V60 WeakPolarHBondContact O-CG2 3.34Å; I56-V60 PolarHBondContact O-N 2.99Å; T57-V60 PolarHBondContact O-N 2.98Å; V60-L62 PolarHBondContact O-N 3.49Å; V60-Y63 PolarHBondContact O-N 2.99Å; V60-L64 HydrophobicContact CG1-CD1 3.88Å; V60-L64 HydrophobicContact CG1-CG 4.33Å; V60-L64 WeakPolarHBondContact O-CB 3.19Å; V60-L64 VanDerWaalsContact O-CG 3.3Å; V60-L64 WeakPolarHBondContact O-CG 3.17Å; V60-L64 PolarHBondContact O-N 3.05Å |
| 61 | V | 88.1 | Confident | 84.4 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | -179.7 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | T57 A65 F242 | T57-V61 HydrophobicContact CG2-CG2 4.14Å; T57-V61 WeakPolarHBondContact O-CB 3.5Å; T57-V61 VanDerWaalsContact O-CG2 3.24Å; T57-V61 WeakPolarHBondContact O-CG2 3.41Å; T57-V61 PolarHBondContact O-N 3.34Å; V61-A65 VanDerWaalsContact O-CB 3.28Å; V61-A65 WeakPolarHBondContact O-CB 3.34Å; V61-A65 PolarHBondContact O-N 3.28Å; V61-F242 HydrophobicContact CG1-CD1 4.38Å; V61-F242 HydrophobicContact CG1-CE1 3.91Å; V61-F242 HydrophobicContact CG1-CE2 4.11Å; V61-F242 HydrophobicContact CG1-CZ 3.76Å |
| 62 | L | 84.8 | Confident | 83.6 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 178.3 | -71.3 | 175.4 | 0 | 0 | 0 | 112.9 | T58 I59 V60 A65 K66 F73 Y192 L195 F196 F242 | T58-L62 HydrophobicContact CG2-CD1 4.03Å; T58-L62 WeakPolarHBondContact O-CB 3.34Å; T58-L62 WeakPolarHBondContact O-CG 3.27Å; T58-L62 PolarHBondContact O-N 3.18Å; T58-L62 VanDerWaalsContact O-N 3.1Å; I59-L62 PolarHBondContact O-N 3.06Å; V60-L62 PolarHBondContact O-N 3.49Å; L62-A65 PolarHBondContact O-N 2.74Å; L62-K66 WeakPolarHBondContact O-CB 3.43Å; L62-K66 PolarHBondContact O-N 3.06Å; L62-F73 HydrophobicContact CB-CE1 4.4Å; L62-Y192 HydrophobicContact CD2-CD1 3.91Å; L62-L195 HydrophobicContact CD1-CB 4.09Å; L62-L195 HydrophobicContact CD1-CD2 3.81Å; L62-L195 HydrophobicContact CD1-CG 3.75Å; L62-L195 HydrophobicContact CD2-CD2 4.3Å; L62-L195 HydrophobicContact CG-CD2 4.49Å; L62-F196 HydrophobicContact CB-CD2 4.18Å; L62-F196 HydrophobicContact CD1-CB 3.93Å; L62-F196 HydrophobicContact CD1-CD2 4.44Å; L62-F242 HydrophobicContact CD2-CE2 4.32Å; L62-F242 HydrophobicContact CG-CE2 4.29Å |
| 63 | Y | 83.6 | Confident | 82.7 | Confident | 141 Ų | 141 | 63.9 Ų | 63.9 | 55% | 0.553 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.1 | -44.7 | 176.8 | -176.8 | -97 | 0 | 0 | 0 | 111.5 | I59 V60 K66 K67 | I59-Y63 WeakPolarHBondContact O-CB 3.31Å; I59-Y63 PolarHBondContact O-N 3.45Å; V60-Y63 PolarHBondContact O-N 2.99Å; Y63-K66 PolarHBondContact O-N 3.31Å; Y63-K67 PolarHBondContact O-N 3.48Å |
| 64 | L | 85.6 | Confident | 81.5 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 174.2 | -68.9 | 176.1 | 0 | 0 | 0 | 111.5 | V60 K66 K67 S68 | V60-L64 HydrophobicContact CG1-CD1 3.88Å; V60-L64 HydrophobicContact CG1-CG 4.33Å; V60-L64 WeakPolarHBondContact O-CB 3.19Å; V60-L64 VanDerWaalsContact O-CG 3.3Å; V60-L64 WeakPolarHBondContact O-CG 3.17Å; V60-L64 PolarHBondContact O-N 3.05Å; L64-K66 VanDerWaalsContact C-N 3.28Å; L64-K66 PolarHBondContact O-N 2.97Å; L64-K67 PolarHBondContact O-N 3.46Å; L64-S68 PolarHBondContact O-N 3.27Å; L64-S68 PolarHBondContact O-OG 3.39Å |
| 65 | A | 82.9 | Confident | 80.4 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -29.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V61 L62 S68 T70 V71 | V61-A65 VanDerWaalsContact O-CB 3.28Å; V61-A65 WeakPolarHBondContact O-CB 3.34Å; V61-A65 PolarHBondContact O-N 3.28Å; L62-A65 PolarHBondContact O-N 2.74Å; A65-S68 WeakPolarHBondContact CA-OG 3.5Å; A65-S68 PolarHBondContact O-OG 3.45Å; A65-S68 VanDerWaalsContact O-OG 3.05Å; A65-T70 PolarHBondContact O-N 3.2Å; A65-V71 HydrophobicContact CB-CB 4.29Å; A65-V71 HydrophobicContact CB-CG2 3.88Å; A65-V71 PolarHBondContact O-N 2.99Å; A65-V71 VanDerWaalsContact O-N 3.11Å |
| 66 | K | 81.2 | Confident | 79.1 | Confident | 46 Ų | 46 | 74.7 Ų | 74.7 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.3 | -44.5 | 171.2 | 177.8 | 167.6 | 174.7 | 166.4 | 0 | 111.3 | L62 Y63 L64 S68 N69 V71 F73 D75 | L62-K66 WeakPolarHBondContact O-CB 3.43Å; L62-K66 PolarHBondContact O-N 3.06Å; Y63-K66 PolarHBondContact O-N 3.31Å; L64-K66 VanDerWaalsContact C-N 3.28Å; L64-K66 PolarHBondContact O-N 2.97Å; K66-S68 VanDerWaalsContact C-N 3.26Å; K66-S68 PolarHBondContact O-N 3.38Å; K66-N69 PolarHBondContact O-N 2.85Å; K66-V71 WeakPolarHBondContact CA-O 3.39Å; K66-F73 HydrophobicContact CB-CD1 4.4Å; K66-F73 HydrophobicContact CB-CE1 3.66Å; K66-F73 HydrophobicContact CB-CZ 4.1Å; K66-F73 HydrophobicContact CD-CD1 4.01Å; K66-F73 HydrophobicContact CD-CD2 4.18Å; K66-F73 HydrophobicContact CD-CE1 3.54Å; K66-F73 HydrophobicContact CD-CE2 3.71Å; K66-F73 HydrophobicContact CD-CG 4.32Å; K66-F73 HydrophobicContact CD-CZ 3.37Å; K66-F73 HydrophobicContact CG-CE1 4.15Å; K66-F73 HydrophobicContact CG-CZ 4.36Å; K66-F73 PolarHBondContact NZ-O 2.83Å; K66-D75 VanDerWaalsContact CE-OD1 3.3Å; K66-D75 WeakPolarHBondContact CE-OD1 3.43Å; K66-D75 IonicContact NZ-OD1 2.69Å; K66-D75 PolarHBondContact NZ-OD1 2.77Å; K66-D75 IonicContact NZ-OD2 2.63Å |
| 67 | K | 80.9 | Confident | 78.1 | Confident | 164 Ų | 164 | 74.7 Ų | 74.7 | 71% | 0.713 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.1 | -33.6 | 176.7 | -170.4 | 178.5 | 178.1 | -177.9 | 0 | 112.2 | Y63 L64 N69 | Y63-K67 PolarHBondContact O-N 3.48Å; L64-K67 PolarHBondContact O-N 3.46Å; K67-N69 PolarHBondContact O-N 2.84Å |
| 68 | S | 79.8 | Confident | 76.7 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 7.1 | 174.5 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | L64 A65 K66 T70 | L64-S68 PolarHBondContact O-N 3.27Å; L64-S68 PolarHBondContact O-OG 3.39Å; A65-S68 WeakPolarHBondContact CA-OG 3.5Å; A65-S68 PolarHBondContact O-OG 3.45Å; A65-S68 VanDerWaalsContact O-OG 3.05Å; K66-S68 VanDerWaalsContact C-N 3.26Å; K66-S68 PolarHBondContact O-N 3.38Å; S68-T70 PolarHBondContact O-N 3.1Å; S68-T70 PolarHBondContact O-OG1 3.38Å; S68-T70 PolarHBondContact OG-OG1 3.44Å |
| 69 | N | 74.9 | Confident | 75.8 | Confident | 130 Ų | 130 | 85 Ų | 85 | 70% | 0.695 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 13.2 | -174.6 | -82.6 | -69.1 | 0 | 0 | 0 | 115.3 | K66 K67 V71 | K66-N69 PolarHBondContact O-N 2.85Å; K67-N69 PolarHBondContact O-N 2.84Å; N69-V71 VanDerWaalsContact C-N 3.32Å |
| 70 | T | 70.7 | Confident | 75 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 66% | 0.663 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -74.8 | -27.3 | 178.8 | -50 | 0 | 0 | 0 | 0 | 111.3 | A65 S68 | A65-T70 PolarHBondContact O-N 3.2Å; S68-T70 PolarHBondContact O-N 3.1Å; S68-T70 PolarHBondContact O-OG1 3.38Å; S68-T70 PolarHBondContact OG-OG1 3.44Å |
| 71 | V | 75 | Confident | 74 | Confident | 11 Ų | 11 | 84 Ų | 84 | 7% | 0.067 | 42% | 0.421 | C | S | . | . | trans | -133.4 | 132.1 | -177.9 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | A65 K66 N69 F73 Y192 | A65-V71 HydrophobicContact CB-CB 4.29Å; A65-V71 HydrophobicContact CB-CG2 3.88Å; A65-V71 PolarHBondContact O-N 2.99Å; A65-V71 VanDerWaalsContact O-N 3.11Å; K66-V71 WeakPolarHBondContact CA-O 3.39Å; N69-V71 VanDerWaalsContact C-N 3.32Å; V71-F73 HydrophobicContact CG1-CD1 4.01Å; V71-Y192 HydrophobicContact CG1-CD1 3.75Å; V71-Y192 HydrophobicContact CG1-CD2 3.3Å; V71-Y192 HydrophobicContact CG1-CE1 4.22Å; V71-Y192 HydrophobicContact CG1-CE2 3.8Å; V71-Y192 HydrophobicContact CG1-CG 3.25Å; V71-Y192 HydrophobicContact CG2-CD1 4.35Å; V71-Y192 HydrophobicContact CG2-CE1 4.1Å; V71-Y192 HydrophobicContact CG2-CE2 4.31Å | ||
| 72 | K | 67 | Low | 73.3 | Confident | 181 Ų | 181 | 88.5 Ų | 88.5 | 79% | 0.787 | 44% | 0.442 | S | S | * | . | trans | -106.3 | 121.7 | 172.1 | -64.9 | -177.3 | -179.5 | 179.8 | 0 | 109.8 | ||||
| 73 | F | 69.8 | Low | 72.7 | Confident | 18 Ų | 18 | 92 Ų | 92 | 8% | 0.079 | 46% | 0.457 | C | S | . | . | trans | -142 | 151.4 | 167.1 | 63.2 | -97.7 | 0 | 0 | 0 | 110.1 | L62 K66 V71 D75 F196 | L62-F73 HydrophobicContact CB-CE1 4.4Å; K66-F73 HydrophobicContact CB-CD1 4.4Å; K66-F73 HydrophobicContact CB-CE1 3.66Å; K66-F73 HydrophobicContact CB-CZ 4.1Å; K66-F73 HydrophobicContact CD-CD1 4.01Å; K66-F73 HydrophobicContact CD-CD2 4.18Å; K66-F73 HydrophobicContact CD-CE1 3.54Å; K66-F73 HydrophobicContact CD-CE2 3.71Å; K66-F73 HydrophobicContact CD-CG 4.32Å; K66-F73 HydrophobicContact CD-CZ 3.37Å; K66-F73 HydrophobicContact CG-CE1 4.15Å; K66-F73 HydrophobicContact CG-CZ 4.36Å; K66-F73 PolarHBondContact NZ-O 2.83Å; V71-F73 HydrophobicContact CG1-CD1 4.01Å; F73-D75 PolarHBondContact O-N 3.29Å; F73-F196 HydrophobicContact CE2-CB 4.29Å; F73-F196 AromaticContact CE2-CD1 3.93Å; F73-F196 HydrophobicContact CE2-CD1 3.93Å; F73-F196 HydrophobicContact CE2-CD2 4.21Å; F73-F196 HydrophobicContact CE2-CE1 4.31Å; F73-F196 AromaticContact CE2-CG 3.88Å; F73-F196 HydrophobicContact CE2-CG 3.88Å; F73-F196 HydrophobicContact CZ-CB 4.4Å; F73-F196 HydrophobicContact CZ-CD1 4.44Å; F73-F196 AromaticContact CZ-CD2 3.9Å; F73-F196 HydrophobicContact CZ-CD2 3.9Å; F73-F196 HydrophobicContact CZ-CE2 4.25Å; F73-F196 AromaticContact CZ-CG 4Å; F73-F196 HydrophobicContact CZ-CG 4Å | ||
| 74 | P | 63.9 | Low | 72.4 | Confident | 43 Ų | 43 | 85.6 Ų | 85.6 | 28% | 0.279 | 43% | 0.433 | S | S | . | . | trans | -56 | 137.2 | -174.1 | -21 | 29.7 | 0 | 0 | 0 | 112.2 | S188 L189 Y197 | P74-S188 VanDerWaalsContact CG-O 3.26Å; P74-S188 WeakPolarHBondContact CG-O 3.28Å; P74-L189 WeakPolarHBondContact CD-O 3.49Å; P74-Y197 PolarHBondContact O-OH 3.43Å | ||
| 75 | D | 67.6 | Low | 72 | Confident | 117 Ų | 117 | 87 Ų | 87 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | trans | -61.7 | 158.7 | 169.8 | -71.3 | -58.2 | 0 | 0 | 0 | 111.9 | K66 F73 D77 Y197 | K66-D75 VanDerWaalsContact CE-OD1 3.3Å; K66-D75 WeakPolarHBondContact CE-OD1 3.43Å; K66-D75 IonicContact NZ-OD1 2.69Å; K66-D75 PolarHBondContact NZ-OD1 2.77Å; K66-D75 IonicContact NZ-OD2 2.63Å; F73-D75 PolarHBondContact O-N 3.29Å; D75-D77 PolarHBondContact O-N 3.49Å; D75-D77 VanDerWaalsContact O-N 3.08Å; D75-Y197 PolarHBondContact O-OH 3.38Å | ||
| 76 | F | 61.4 | Low | 72.1 | Confident | 138 Ų | 138 | 87.3 Ų | 87.3 | 61% | 0.605 | 44% | 0.435 | S | S | * | . | trans | -64.8 | 110.7 | -178.9 | -169.9 | -87.5 | 0 | 0 | 0 | 109.6 | V81 Y197 | F76-V81 HydrophobicContact CE2-CG2 4.36Å; F76-V81 HydrophobicContact CZ-CG2 3.92Å; F76-Y197 WeakPolarHBondContact CA-OH 3.46Å; F76-Y197 AromaticContact CD2-CE1 3.85Å; F76-Y197 HydrophobicContact CD2-CE1 3.85Å; F76-Y197 HydrophobicContact CE2-CE1 4.39Å; F76-Y197 PolarHBondContact N-OH 2.86Å | ||
| 77 | D | 67.6 | Low | 72.2 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | trans | -127.7 | 149.9 | 174.9 | -179.6 | 16.5 | 0 | 0 | 0 | 109.3 | D75 S79 V80 V81 | D75-D77 PolarHBondContact O-N 3.49Å; D75-D77 VanDerWaalsContact O-N 3.08Å; D77-S79 VanDerWaalsContact CG-OG 3.3Å; D77-S79 PolarHBondContact O-N 3.43Å; D77-S79 VanDerWaalsContact OD2-CB 3.29Å; D77-S79 WeakPolarHBondContact OD2-CB 3.37Å; D77-S79 PolarHBondContact OD2-OG 3.5Å; D77-V80 HydrophobicContact CB-CG2 4.17Å; D77-V80 WeakPolarHBondContact O-CA 3.26Å; D77-V80 VanDerWaalsContact O-CB 3.28Å; D77-V80 WeakPolarHBondContact O-CB 3.38Å; D77-V80 PolarHBondContact O-N 2.91Å; D77-V81 PolarHBondContact O-N 2.81Å | ||
| 78 | R | 62.4 | Low | 72.1 | Confident | 211 Ų | 211 | 79.8 Ų | 79.8 | 80% | 0.796 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -56.8 | -30.4 | 174.6 | -70.2 | -176.2 | 177.1 | -176.3 | -0.3 | 111.4 | V80 V81 L82 | R78-V80 PolarHBondContact O-N 3.44Å; R78-V81 PolarHBondContact O-N 2.76Å; R78-L82 PolarHBondContact O-N 3.11Å |
| 79 | S | 68.4 | Low | 72.3 | Confident | 43 Ų | 43 | 81.6 Ų | 81.6 | 30% | 0.301 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -30.2 | 172.7 | 75.1 | 0 | 0 | 0 | 0 | 112.9 | D77 K83 | D77-S79 VanDerWaalsContact CG-OG 3.3Å; D77-S79 PolarHBondContact O-N 3.43Å; D77-S79 VanDerWaalsContact OD2-CB 3.29Å; D77-S79 WeakPolarHBondContact OD2-CB 3.37Å; D77-S79 PolarHBondContact OD2-OG 3.5Å; S79-K83 WeakPolarHBondContact O-CB 3.37Å; S79-K83 WeakPolarHBondContact O-CG 3.3Å; S79-K83 PolarHBondContact O-N 3.14Å |
| 80 | V | 69.6 | Low | 73 | Confident | 5 Ų | 5 | 76.4 Ų | 76.4 | 3% | 0.03 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.2 | -39.4 | 178.7 | 179.9 | 0 | 0 | 0 | 0 | 111 | D77 R78 L82 K83 I84 Y197 | D77-V80 HydrophobicContact CB-CG2 4.17Å; D77-V80 WeakPolarHBondContact O-CA 3.26Å; D77-V80 VanDerWaalsContact O-CB 3.28Å; D77-V80 WeakPolarHBondContact O-CB 3.38Å; D77-V80 PolarHBondContact O-N 2.91Å; R78-V80 PolarHBondContact O-N 3.44Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.36Å; V80-K83 CarbonylContact O-C 3.55Å; V80-K83 WeakPolarHBondContact O-CA 2.9Å; V80-K83 WeakPolarHBondContact O-CB 3.42Å; V80-K83 PolarHBondContact O-N 2.73Å; V80-K83 VanDerWaalsContact O-N 3.08Å; V80-I84 HydrophobicContact CG1-CD1 3.5Å; V80-I84 VanDerWaalsContact CG1-CD1 3.5Å; V80-I84 HydrophobicContact CG1-CG1 4.18Å; V80-I84 VanDerWaalsContact O-CD1 3.28Å; V80-I84 WeakPolarHBondContact O-CD1 3.01Å; V80-I84 WeakPolarHBondContact O-CG1 3.33Å; V80-I84 PolarHBondContact O-N 3.36Å; V80-Y197 HydrophobicContact CG1-CD1 4.08Å; V80-Y197 HydrophobicContact CG1-CD2 3.85Å; V80-Y197 HydrophobicContact CG1-CE1 3.67Å; V80-Y197 HydrophobicContact CG1-CE2 3.5Å; V80-Y197 VanDerWaalsContact CG1-CE2 3.5Å; V80-Y197 HydrophobicContact CG1-CG 4.19Å |
| 81 | V | 68.1 | Low | 73.5 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 175.1 | -179 | 0 | 0 | 0 | 0 | 111 | F76 D77 R78 K83 I84 F85 | F76-V81 HydrophobicContact CE2-CG2 4.36Å; F76-V81 HydrophobicContact CZ-CG2 3.92Å; D77-V81 PolarHBondContact O-N 2.81Å; R78-V81 PolarHBondContact O-N 2.76Å; V81-K83 VanDerWaalsContact C-N 3.35Å; V81-K83 PolarHBondContact O-N 2.9Å; V81-I84 PolarHBondContact O-N 3.36Å; V81-F85 PolarHBondContact O-N 3.19Å |
| 82 | L | 73 | Confident | 73.8 | Confident | 139 Ų | 139 | 75.3 Ų | 75.3 | 73% | 0.728 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.7 | -39.7 | 173.2 | -83.7 | 149.7 | 0 | 0 | 0 | 112.2 | R78 V80 I84 F85 | R78-L82 PolarHBondContact O-N 3.11Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.36Å; L82-I84 VanDerWaalsContact C-N 3.27Å; L82-I84 PolarHBondContact O-N 2.86Å; L82-F85 PolarHBondContact O-N 3.05Å |
| 83 | K | 73.4 | Confident | 74.6 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -26.5 | 175.7 | -75.4 | 171.7 | -173 | 176.4 | 0 | 112.8 | S79 V80 V81 K183 L189 | S79-K83 WeakPolarHBondContact O-CB 3.37Å; S79-K83 WeakPolarHBondContact O-CG 3.3Å; S79-K83 PolarHBondContact O-N 3.14Å; V80-K83 CarbonylContact O-C 3.55Å; V80-K83 WeakPolarHBondContact O-CA 2.9Å; V80-K83 WeakPolarHBondContact O-CB 3.42Å; V80-K83 PolarHBondContact O-N 2.73Å; V80-K83 VanDerWaalsContact O-N 3.08Å; V81-K83 VanDerWaalsContact C-N 3.35Å; V81-K83 PolarHBondContact O-N 2.9Å; K83-K183 WeakPolarHBondContact O-CD 3.29Å; K83-K183 WeakPolarHBondContact O-CE 3.43Å; K83-K183 PolarHBondContact O-NZ 3.46Å; K83-L189 HydrophobicContact CB-CD1 3.96Å; K83-L189 HydrophobicContact CD-CD1 3.98Å |
| 84 | I | 75.9 | Confident | 75.5 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -86.9 | -21.7 | -178.7 | -64.2 | 155.5 | 0 | 0 | 0 | 111.9 | V80 V81 L82 L87 P88 L189 Y197 I201 | V80-I84 HydrophobicContact CG1-CD1 3.5Å; V80-I84 VanDerWaalsContact CG1-CD1 3.5Å; V80-I84 HydrophobicContact CG1-CG1 4.18Å; V80-I84 VanDerWaalsContact O-CD1 3.28Å; V80-I84 WeakPolarHBondContact O-CD1 3.01Å; V80-I84 WeakPolarHBondContact O-CG1 3.33Å; V80-I84 PolarHBondContact O-N 3.36Å; V81-I84 PolarHBondContact O-N 3.36Å; L82-I84 VanDerWaalsContact C-N 3.27Å; L82-I84 PolarHBondContact O-N 2.86Å; I84-L87 HydrophobicContact CG2-CB 4.04Å; I84-L87 HydrophobicContact CG2-CD1 4.15Å; I84-L87 VanDerWaalsContact O-CB 3.24Å; I84-L87 WeakPolarHBondContact O-CB 3.45Å; I84-L87 WeakPolarHBondContact O-CG 3.17Å; I84-L87 PolarHBondContact O-N 2.96Å; I84-P88 HydrophobicContact CG2-CG 4.27Å; I84-L189 HydrophobicContact CG1-CD2 3.93Å; I84-Y197 VanDerWaalsContact CD1-CB 3.47Å; I84-Y197 HydrophobicContact CD1-CD1 3.62Å; I84-Y197 HydrophobicContact CD1-CD2 4.07Å; I84-Y197 HydrophobicContact CD1-CE1 4.38Å; I84-Y197 HydrophobicContact CD1-CG 3.45Å; I84-Y197 VanDerWaalsContact CD1-CG 3.45Å; I84-I201 HydrophobicContact CB-CD1 4.24Å; I84-I201 HydrophobicContact CD1-CD1 4.26Å; I84-I201 HydrophobicContact CG2-CD1 3.21Å |
| 85 | F | 77.6 | Confident | 76.2 | Confident | 130 Ų | 130 | 68.4 Ų | 68.4 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 135.3 | 169.8 | -165.9 | -96 | 0 | 0 | 0 | 110.7 | V81 L82 | V81-F85 PolarHBondContact O-N 3.19Å; L82-F85 PolarHBondContact O-N 3.05Å |
| 86 | P | 86.4 | Confident | 76.9 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -97.1 | 14.9 | 9 | 38.2 | -36.4 | 0 | 0 | 0 | 115.7 | P88 L89 L90 Y179 | P86-P88 VanDerWaalsContact C-CD 3.44Å; P86-L89 WeakPolarHBondContact O-CB 3.05Å; P86-L89 PolarHBondContact O-N 3.27Å; P86-L89 VanDerWaalsContact O-N 3.12Å; P86-L90 HydrophobicContact CG-CD1 4.3Å; P86-L90 PolarHBondContact O-N 2.79Å; P86-Y179 HydrophobicContact CG-CD1 4.14Å; P86-Y179 HydrophobicContact CG-CE1 3.92Å; P86-Y179 HydrophobicContact CG-CE2 4.33Å; P86-Y179 HydrophobicContact CG-CG 4.44Å |
| 87 | L | 81.7 | Confident | 78 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.6 | -44.3 | -173.3 | -69.6 | 169.8 | 0 | 0 | 0 | 114.9 | I84 L89 L90 Y91 K183 | I84-L87 HydrophobicContact CG2-CB 4.04Å; I84-L87 HydrophobicContact CG2-CD1 4.15Å; I84-L87 VanDerWaalsContact O-CB 3.24Å; I84-L87 WeakPolarHBondContact O-CB 3.45Å; I84-L87 WeakPolarHBondContact O-CG 3.17Å; I84-L87 PolarHBondContact O-N 2.96Å; L87-L89 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 2.65Å; L87-L90 PolarHBondContact O-N 2.99Å; L87-Y91 HydrophobicContact CB-CD2 4.37Å; L87-Y91 HydrophobicContact CB-CE2 4.25Å; L87-Y91 HydrophobicContact CD2-CE2 4.43Å; L87-Y91 WeakPolarHBondContact O-CD2 3.4Å; L87-Y91 PolarHBondContact O-N 3.34Å; L87-K183 HydrophobicContact CD1-CG 4.29Å |
| 88 | P | 80.6 | Confident | 78.8 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 178.8 | -22.8 | 32.3 | 0 | 0 | 0 | 113.1 | I84 P86 L90 Y91 V92 I201 | I84-P88 HydrophobicContact CG2-CG 4.27Å; P86-P88 VanDerWaalsContact C-CD 3.44Å; P88-L90 VanDerWaalsContact C-N 3.35Å; P88-L90 PolarHBondContact O-N 3.38Å; P88-Y91 PolarHBondContact O-N 3.44Å; P88-V92 WeakPolarHBondContact O-CG2 3.31Å; P88-V92 PolarHBondContact O-N 3.11Å; P88-I201 HydrophobicContact CB-CG2 3.54Å; P88-I201 HydrophobicContact CG-CD1 3.73Å; P88-I201 HydrophobicContact CG-CG1 4.11Å; P88-I201 HydrophobicContact CG-CG2 3.8Å |
| 89 | L | 84.1 | Confident | 79.5 | Confident | 110 Ų | 110 | 49.6 Ų | 49.6 | 58% | 0.576 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | -179.5 | -174.7 | 64 | 0 | 0 | 0 | 111.1 | P86 L87 Y91 V92 G93 | P86-L89 WeakPolarHBondContact O-CB 3.05Å; P86-L89 PolarHBondContact O-N 3.27Å; P86-L89 VanDerWaalsContact O-N 3.12Å; L87-L89 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 2.65Å; L89-Y91 VanDerWaalsContact C-N 3.32Å; L89-Y91 PolarHBondContact O-N 3.46Å; L89-V92 PolarHBondContact O-N 2.99Å; L89-G93 PolarHBondContact O-N 2.98Å |
| 90 | L | 88.8 | Confident | 80 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 176.2 | -61.4 | 174.6 | 0 | 0 | 0 | 111.5 | P86 L87 P88 N94 F172 A175 Y179 | P86-L90 HydrophobicContact CG-CD1 4.3Å; P86-L90 PolarHBondContact O-N 2.79Å; L87-L90 PolarHBondContact O-N 2.99Å; P88-L90 VanDerWaalsContact C-N 3.35Å; P88-L90 PolarHBondContact O-N 3.38Å; L90-N94 VanDerWaalsContact O-CB 3.23Å; L90-N94 WeakPolarHBondContact O-CB 3.33Å; L90-N94 PolarHBondContact O-N 2.96Å; L90-F172 HydrophobicContact CD2-CD1 3.93Å; L90-F172 HydrophobicContact CD2-CE1 4.4Å; L90-A175 HydrophobicContact CD1-CB 3.88Å; L90-A175 HydrophobicContact CD2-CB 3.88Å; L90-A175 HydrophobicContact CG-CB 4.46Å; L90-Y179 HydrophobicContact CD1-CD2 3.57Å; L90-Y179 HydrophobicContact CD1-CE2 4.15Å; L90-Y179 HydrophobicContact CD1-CG 4.2Å |
| 91 | Y | 81.8 | Confident | 80.6 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 176.5 | -79.6 | -60.2 | 0 | 0 | 0 | 112.9 | L87 P88 L89 N94 H95 N198 I202 | L87-Y91 HydrophobicContact CB-CD2 4.37Å; L87-Y91 HydrophobicContact CB-CE2 4.25Å; L87-Y91 HydrophobicContact CD2-CE2 4.43Å; L87-Y91 WeakPolarHBondContact O-CD2 3.4Å; L87-Y91 PolarHBondContact O-N 3.34Å; P88-Y91 PolarHBondContact O-N 3.44Å; L89-Y91 VanDerWaalsContact C-N 3.32Å; L89-Y91 PolarHBondContact O-N 3.46Å; Y91-N94 WeakPolarHBondContact O-CB 3.33Å; Y91-N94 PolarHBondContact O-N 3.39Å; Y91-H95 WeakPolarHBondContact O-CB 3.44Å; Y91-H95 PolarHBondContact O-N 3.46Å; Y91-N198 WeakPolarHBondContact CE2-OD1 3.31Å; Y91-N198 PolarHBondContact OH-ND2 3.32Å; Y91-N198 PolarHBondContact OH-OD1 2.86Å; Y91-I202 HydrophobicContact CD1-CD1 3.74Å; Y91-I202 HydrophobicContact CD1-CG1 3.97Å; Y91-I202 HydrophobicContact CD2-CD1 4.34Å; Y91-I202 HydrophobicContact CD2-CG1 4.13Å; Y91-I202 HydrophobicContact CE1-CD1 3.72Å; Y91-I202 HydrophobicContact CE1-CG1 4.4Å; Y91-I202 HydrophobicContact CE2-CD1 4.32Å; Y91-I202 HydrophobicContact CG-CD1 4.08Å; Y91-I202 HydrophobicContact CG-CG1 3.85Å |
| 92 | V | 80.2 | Confident | 81.1 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 39% | 0.394 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | P88 L89 N94 H95 V96 P205 | P88-V92 WeakPolarHBondContact O-CG2 3.31Å; P88-V92 PolarHBondContact O-N 3.11Å; L89-V92 PolarHBondContact O-N 2.99Å; V92-N94 PolarHBondContact O-N 3.21Å; V92-H95 PolarHBondContact O-N 3.3Å; V92-H95 VanDerWaalsContact O-N 3.12Å; V92-V96 HydrophobicContact CG1-CG2 4.46Å; V92-V96 WeakPolarHBondContact O-CG2 3.31Å; V92-V96 PolarHBondContact O-N 3.29Å; V92-P205 HydrophobicContact CG2-CB 4.24Å; V92-P205 HydrophobicContact CG2-CG 4.36Å |
| 93 | G | 84.6 | Confident | 81.1 | Confident | 14 Ų | 14 | 49 Ų | 49 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L89 H95 V96 T97 F172 | L89-G93 PolarHBondContact O-N 2.98Å; G93-H95 VanDerWaalsContact C-N 3.33Å; G93-H95 PolarHBondContact O-N 2.9Å; G93-V96 PolarHBondContact O-N 3.41Å; G93-T97 WeakPolarHBondContact O-CB 3.37Å; G93-T97 WeakPolarHBondContact O-CG2 2.93Å; G93-T97 PolarHBondContact O-N 2.96Å; G93-T97 PolarHBondContact O-OG1 3.28Å; G93-F172 VanDerWaalsContact C-CD2 3.4Å |
| 94 | N | 87.7 | Confident | 81.3 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 173.6 | -177.3 | 32.3 | 0 | 0 | 0 | 111.5 | L90 Y91 V92 T97 G98 N169 F172 T173 | L90-N94 VanDerWaalsContact O-CB 3.23Å; L90-N94 WeakPolarHBondContact O-CB 3.33Å; L90-N94 PolarHBondContact O-N 2.96Å; Y91-N94 WeakPolarHBondContact O-CB 3.33Å; Y91-N94 PolarHBondContact O-N 3.39Å; V92-N94 PolarHBondContact O-N 3.21Å; N94-T97 PolarHBondContact O-OG1 3.05Å; N94-G98 WeakPolarHBondContact O-CA 3.32Å; N94-G98 PolarHBondContact O-N 3.2Å; N94-N169 PolarHBondContact O-ND2 3.39Å; N94-N169 PolarHBondContact OD1-ND2 3.47Å; N94-F172 HydrophobicContact CB-CB 3.9Å; N94-T173 PolarHBondContact OD1-OG1 3.19Å |
| 95 | H | 79.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 50 Ų | 50 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | -176.6 | -156.8 | -46.9 | 0 | 0 | 0 | 112.6 | Y91 V92 G93 L99 T206 | Y91-H95 WeakPolarHBondContact O-CB 3.44Å; Y91-H95 PolarHBondContact O-N 3.46Å; V92-H95 PolarHBondContact O-N 3.3Å; V92-H95 VanDerWaalsContact O-N 3.12Å; G93-H95 VanDerWaalsContact C-N 3.33Å; G93-H95 PolarHBondContact O-N 2.9Å; H95-L99 WeakPolarHBondContact O-CB 3.5Å; H95-L99 PolarHBondContact O-N 2.89Å; H95-L99 VanDerWaalsContact O-N 3.13Å; H95-T206 PolarHBondContact CD2-OG1 2.94Å; H95-T206 PolarHBondContact NE2-OG1 3.07Å; H95-T206 VanDerWaalsContact NE2-OG1 3.16Å |
| 96 | V | 81.6 | Confident | 81.5 | Confident | 96 Ų | 96 | 46.7 Ų | 46.7 | 58% | 0.582 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.7 | -51.2 | 179.8 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V92 G93 G98 L99 A100 | V92-V96 HydrophobicContact CG1-CG2 4.46Å; V92-V96 WeakPolarHBondContact O-CG2 3.31Å; V92-V96 PolarHBondContact O-N 3.29Å; G93-V96 PolarHBondContact O-N 3.41Å; V96-G98 VanDerWaalsContact C-N 3.33Å; V96-G98 PolarHBondContact O-N 2.93Å; V96-L99 PolarHBondContact O-N 3.4Å; V96-A100 WeakPolarHBondContact O-CB 3.44Å; V96-A100 PolarHBondContact O-N 3.47Å |
| 97 | T | 85.6 | Confident | 80.9 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -34.5 | -178.9 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | G93 N94 S101 F165 L168 N169 F172 | G93-T97 WeakPolarHBondContact O-CB 3.37Å; G93-T97 WeakPolarHBondContact O-CG2 2.93Å; G93-T97 PolarHBondContact O-N 2.96Å; G93-T97 PolarHBondContact O-OG1 3.28Å; N94-T97 PolarHBondContact O-OG1 3.05Å; T97-S101 WeakPolarHBondContact O-CB 3.38Å; T97-S101 PolarHBondContact O-N 3.37Å; T97-S101 PolarHBondContact O-OG 3.4Å; T97-F165 HydrophobicContact CG2-CD1 4.49Å; T97-L168 HydrophobicContact CG2-CB 4.35Å; T97-L168 HydrophobicContact CG2-CD2 3.71Å; T97-L168 HydrophobicContact CG2-CG 3.93Å; T97-N169 VanDerWaalsContact OG1-CA 3.3Å; T97-N169 WeakPolarHBondContact OG1-CA 3.45Å; T97-N169 WeakPolarHBondContact OG1-CB 3.3Å; T97-N169 PolarHBondContact OG1-ND2 2.91Å; T97-N169 VanDerWaalsContact OG1-ND2 3.13Å; T97-F172 HydrophobicContact CG2-CD2 4.09Å; T97-F172 HydrophobicContact CG2-CE2 3.89Å |
| 98 | G | 83.6 | Confident | 80.5 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 9% | 0.093 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N94 V96 A100 S101 T102 N169 | N94-G98 WeakPolarHBondContact O-CA 3.32Å; N94-G98 PolarHBondContact O-N 3.2Å; V96-G98 VanDerWaalsContact C-N 3.33Å; V96-G98 PolarHBondContact O-N 2.93Å; G98-A100 PolarHBondContact O-N 2.97Å; G98-S101 WeakPolarHBondContact CA-OG 3.39Å; G98-S101 PolarHBondContact O-N 3.45Å; G98-S101 PolarHBondContact O-OG 3.38Å; G98-T102 PolarHBondContact O-N 3.2Å; G98-T102 PolarHBondContact O-OG1 2.93Å; G98-N169 WeakPolarHBondContact CA-ND2 3.3Å; G98-N169 PolarHBondContact N-ND2 2.91Å |
| 99 | L | 77.4 | Confident | 80.5 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 178.2 | -172.6 | 62.8 | 0 | 0 | 0 | 112.2 | Y47 H95 V96 K103 | Y47-L99 WeakPolarHBondContact OH-CD1 3.27Å; H95-L99 WeakPolarHBondContact O-CB 3.5Å; H95-L99 PolarHBondContact O-N 2.89Å; H95-L99 VanDerWaalsContact O-N 3.13Å; V96-L99 PolarHBondContact O-N 3.4Å; L99-K103 WeakPolarHBondContact O-CG 3.44Å; L99-K103 PolarHBondContact O-N 3.21Å |
| 100 | A | 79.4 | Confident | 80.4 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 22% | 0.223 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V96 G98 K103 F165 | V96-A100 WeakPolarHBondContact O-CB 3.44Å; V96-A100 PolarHBondContact O-N 3.47Å; G98-A100 PolarHBondContact O-N 2.97Å; A100-K103 PolarHBondContact O-N 3.25Å; A100-F165 HydrophobicContact CB-CB 4.48Å; A100-F165 HydrophobicContact CB-CD1 4.29Å; A100-F165 HydrophobicContact CB-CD2 4.2Å; A100-F165 HydrophobicContact CB-CG 4.09Å |
| 101 | S | 80.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 179.6 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | T97 G98 K103 K104 L105 | T97-S101 WeakPolarHBondContact O-CB 3.38Å; T97-S101 PolarHBondContact O-N 3.37Å; T97-S101 PolarHBondContact O-OG 3.4Å; G98-S101 WeakPolarHBondContact CA-OG 3.39Å; G98-S101 PolarHBondContact O-N 3.45Å; G98-S101 PolarHBondContact O-OG 3.38Å; S101-K103 PolarHBondContact O-N 2.99Å; S101-K104 PolarHBondContact O-N 2.92Å; S101-L105 WeakPolarHBondContact O-CB 3.46Å; S101-L105 PolarHBondContact O-N 3.42Å |
| 102 | T | 78.3 | Confident | 80 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -30.7 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | G98 F110 | G98-T102 PolarHBondContact O-N 3.2Å; G98-T102 PolarHBondContact O-OG1 2.93Å; T102-F110 VanDerWaalsContact OG1-CE2 3.27Å; T102-F110 WeakPolarHBondContact OG1-CE2 3.46Å |
| 103 | K | 74.4 | Confident | 80.4 | Confident | 162 Ų | 162 | 45 Ų | 45 | 70% | 0.704 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -74.5 | -29.5 | 177 | -73.5 | -177.4 | 178.8 | -174.4 | 0 | 113.5 | L99 A100 S101 | L99-K103 WeakPolarHBondContact O-CG 3.44Å; L99-K103 PolarHBondContact O-N 3.21Å; A100-K103 PolarHBondContact O-N 3.25Å; S101-K103 PolarHBondContact O-N 2.99Å |
| 104 | K | 77.5 | Confident | 80.6 | Confident | 91 Ų | 91 | 48.8 Ų | 48.8 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -100.5 | -25 | -173.3 | -65.9 | -170.1 | 171.3 | -168.5 | 0 | 113.8 | S101 E161 A162 | S101-K104 PolarHBondContact O-N 2.92Å; K104-E161 IonicContact NZ-OE1 3.05Å; K104-E161 PolarHBondContact NZ-OE1 3.37Å; K104-E161 IonicContact NZ-OE2 2.71Å; K104-E161 PolarHBondContact NZ-OE2 3.06Å; K104-A162 HydrophobicContact CB-CB 3.55Å; K104-A162 HydrophobicContact CD-CB 4.24Å |
| 105 | L | 80.3 | Confident | 80.7 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -102.3 | 146.4 | -177.9 | -64.2 | 173.5 | 0 | 0 | 0 | 112.2 | S101 F110 L113 A162 Y163 I166 | S101-L105 WeakPolarHBondContact O-CB 3.46Å; S101-L105 PolarHBondContact O-N 3.42Å; L105-F110 HydrophobicContact CB-CB 4.38Å; L105-L113 HydrophobicContact CD1-CD1 4.08Å; L105-A162 HydrophobicContact CD2-CB 3.57Å; L105-A162 HydrophobicContact CG-CB 3.87Å; L105-Y163 HydrophobicContact CD2-CD2 3.74Å; L105-Y163 HydrophobicContact CD2-CE2 3.71Å; L105-I166 HydrophobicContact CD1-CB 3.77Å; L105-I166 HydrophobicContact CD1-CG1 4.2Å; L105-I166 HydrophobicContact CD1-CG2 3.67Å |
| 106 | S | 78.1 | Confident | 81.3 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 43% | 0.434 | 25% | 0.251 | S | S | . | . | trans | -62.7 | 148 | 165.9 | 72.2 | 0 | 0 | 0 | 0 | 110.5 | M109 F110 | S106-M109 PolarHBondContact O-N 2.85Å; S106-M109 VanDerWaalsContact O-N 3.17Å; S106-M109 WeakPolarHBondContact OG-CB 3.5Å; S106-M109 PolarHBondContact OG-N 3.45Å; S106-F110 WeakPolarHBondContact O-CB 2.99Å; S106-F110 PolarHBondContact O-N 2.91Å | ||
| 107 | L | 73.6 | Confident | 82 | Confident | 128 Ų | 128 | 43 Ų | 43 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -55.4 | -44.4 | 178.1 | -70.1 | 171.6 | 0 | 0 | 0 | 113 | M109 F110 T111 | L107-M109 PolarHBondContact O-N 2.92Å; L107-F110 PolarHBondContact O-N 3.21Å; L107-T111 WeakPolarHBondContact O-CG2 3.24Å; L107-T111 PolarHBondContact O-N 3.48Å; L107-T111 VanDerWaalsContact O-N 3.1Å |
| 108 | P | 73.1 | Confident | 82.4 | Confident | 43 Ų | 43 | 42.7 Ų | 42.7 | 28% | 0.279 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.7 | -24.1 | 35.2 | 0 | 0 | 0 | 111.9 | F110 T111 V112 Y282 | P108-F110 PolarHBondContact O-N 3.39Å; P108-T111 PolarHBondContact O-N 2.9Å; P108-T111 PolarHBondContact O-OG1 2.98Å; P108-V112 WeakPolarHBondContact O-CG2 3.09Å; P108-V112 PolarHBondContact O-N 3.35Å; P108-V112 VanDerWaalsContact O-N 3.11Å; P108-Y282 HydrophobicContact CB-CE2 4.26Å; P108-Y282 HydrophobicContact CG-CE2 3.83Å |
| 109 | M | 80.8 | Confident | 82.9 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -39.4 | -177.4 | -168.5 | 56.6 | -170.2 | 0 | 0 | 112.4 | S106 L107 T111 V112 L113 A152 D155 Y163 | S106-M109 PolarHBondContact O-N 2.85Å; S106-M109 VanDerWaalsContact O-N 3.17Å; S106-M109 WeakPolarHBondContact OG-CB 3.5Å; S106-M109 PolarHBondContact OG-N 3.45Å; L107-M109 PolarHBondContact O-N 2.92Å; M109-T111 VanDerWaalsContact C-N 3.29Å; M109-T111 PolarHBondContact O-N 3.48Å; M109-V112 PolarHBondContact O-N 3.39Å; M109-V112 VanDerWaalsContact O-N 3.16Å; M109-V112 HydrophobicContact SD-CB 4.33Å; M109-V112 HydrophobicContact SD-CG1 4.4Å; M109-L113 HydrophobicContact CE-CD1 3.67Å; M109-L113 HydrophobicContact CE-CD2 3.42Å; M109-L113 VanDerWaalsContact CE-CD2 3.42Å; M109-L113 HydrophobicContact CE-CG 3.37Å; M109-L113 HydrophobicContact CG-CD1 4.07Å; M109-L113 HydrophobicContact CG-CG 4.28Å; M109-L113 PolarHBondContact O-N 3.31Å; M109-L113 HydrophobicContact SD-CG 4.31Å; M109-A152 HydrophobicContact CE-CB 3.26Å; M109-A152 HydrophobicContact SD-CB 4.03Å; M109-D155 VanDerWaalsContact CG-OD2 3.3Å; M109-D155 WeakPolarHBondContact CG-OD2 3.13Å; M109-D155 HydrophobicContact SD-CB 4.28Å; M109-Y163 HydrophobicContact CE-CE1 3.43Å; M109-Y163 VanDerWaalsContact CE-CE1 3.43Å; M109-Y163 HydrophobicContact CE-CE2 4.41Å; M109-Y163 WeakPolarHBondContact CE-OH 3.34Å; M109-Y163 HydrophobicContact CG-CE2 4.39Å |
| 110 | F | 82.2 | Confident | 83.8 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.1 | -45.1 | 172.7 | -177.8 | -88.4 | 0 | 0 | 0 | 111.7 | T102 L105 S106 L107 P108 V112 R114 I166 | T102-F110 VanDerWaalsContact OG1-CE2 3.27Å; T102-F110 WeakPolarHBondContact OG1-CE2 3.46Å; L105-F110 HydrophobicContact CB-CB 4.38Å; S106-F110 WeakPolarHBondContact O-CB 2.99Å; S106-F110 PolarHBondContact O-N 2.91Å; L107-F110 PolarHBondContact O-N 3.21Å; P108-F110 PolarHBondContact O-N 3.39Å; F110-V112 VanDerWaalsContact C-N 3.34Å; F110-V112 PolarHBondContact O-N 3Å; F110-R114 HydrophobicContact CE1-CG 4.3Å; F110-R114 VanDerWaalsContact CE1-CZ 3.42Å; F110-R114 WeakPolarHBondContact O-CB 3.35Å; F110-R114 WeakPolarHBondContact O-CG 3.34Å; F110-R114 PolarHBondContact O-N 3.47Å; F110-R114 VanDerWaalsContact O-N 3.12Å; F110-I166 HydrophobicContact CD2-CD1 3.61Å; F110-I166 HydrophobicContact CD2-CG1 4.44Å; F110-I166 HydrophobicContact CE2-CD1 3.44Å; F110-I166 VanDerWaalsContact CE2-CD1 3.44Å; F110-I166 HydrophobicContact CG-CD1 4.38Å; F110-I166 HydrophobicContact CZ-CD1 4.09Å |
| 111 | T | 78.7 | Confident | 84.5 | Confident | 61 Ų | 61 | 44 Ų | 44 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.9 | -30.8 | 179.1 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | L107 P108 M109 | L107-T111 WeakPolarHBondContact O-CG2 3.24Å; L107-T111 PolarHBondContact O-N 3.48Å; L107-T111 VanDerWaalsContact O-N 3.1Å; P108-T111 PolarHBondContact O-N 2.9Å; P108-T111 PolarHBondContact O-OG1 2.98Å; M109-T111 VanDerWaalsContact C-N 3.29Å; M109-T111 PolarHBondContact O-N 3.48Å |
| 112 | V | 83.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.7 | -51.3 | 177.1 | 168.3 | 0 | 0 | 0 | 0 | 110.2 | P108 M109 F110 R114 K115 A148 A151 A152 | P108-V112 WeakPolarHBondContact O-CG2 3.09Å; P108-V112 PolarHBondContact O-N 3.35Å; P108-V112 VanDerWaalsContact O-N 3.11Å; M109-V112 PolarHBondContact O-N 3.39Å; M109-V112 VanDerWaalsContact O-N 3.16Å; M109-V112 HydrophobicContact SD-CB 4.33Å; M109-V112 HydrophobicContact SD-CG1 4.4Å; F110-V112 VanDerWaalsContact C-N 3.34Å; F110-V112 PolarHBondContact O-N 3Å; V112-R114 VanDerWaalsContact C-N 3.26Å; V112-R114 PolarHBondContact O-N 3.47Å; V112-K115 VanDerWaalsContact O-CB 3.26Å; V112-K115 WeakPolarHBondContact O-CB 3.31Å; V112-K115 WeakPolarHBondContact O-CG 3.34Å; V112-K115 PolarHBondContact O-N 2.87Å; V112-A148 HydrophobicContact CG1-CB 4.12Å; V112-A148 WeakPolarHBondContact CG1-O 3.46Å; V112-A151 HydrophobicContact CB-CB 4.43Å; V112-A151 HydrophobicContact CG1-CB 3.83Å; V112-A151 HydrophobicContact CG2-CB 3.66Å; V112-A152 HydrophobicContact CG1-CB 4.01Å |
| 113 | L | 88.2 | Confident | 85.9 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -34 | -179 | -70.3 | 178.7 | 0 | 0 | 0 | 112.1 | L105 M109 K115 F116 Y163 I166 | L105-L113 HydrophobicContact CD1-CD1 4.08Å; M109-L113 HydrophobicContact CE-CD1 3.67Å; M109-L113 HydrophobicContact CE-CD2 3.42Å; M109-L113 VanDerWaalsContact CE-CD2 3.42Å; M109-L113 HydrophobicContact CE-CG 3.37Å; M109-L113 HydrophobicContact CG-CD1 4.07Å; M109-L113 HydrophobicContact CG-CG 4.28Å; M109-L113 PolarHBondContact O-N 3.31Å; M109-L113 HydrophobicContact SD-CG 4.31Å; L113-K115 PolarHBondContact O-N 2.78Å; L113-F116 HydrophobicContact CD2-CD2 4.44Å; L113-F116 HydrophobicContact CD2-CE2 4.22Å; L113-F116 WeakPolarHBondContact O-CB 3.24Å; L113-F116 VanDerWaalsContact O-CD2 3.31Å; L113-F116 WeakPolarHBondContact O-CD2 3.3Å; L113-F116 PolarHBondContact O-N 3.42Å; L113-Y163 HydrophobicContact CD1-CD1 3.7Å; L113-Y163 HydrophobicContact CD1-CD2 4.12Å; L113-Y163 HydrophobicContact CD1-CE1 3.8Å; L113-Y163 HydrophobicContact CD1-CE2 4.2Å; L113-Y163 HydrophobicContact CD1-CG 3.9Å; L113-Y163 HydrophobicContact CD2-CD1 4.13Å; L113-Y163 HydrophobicContact CD2-CE1 4.06Å; L113-Y163 HydrophobicContact CG-CE1 4.47Å; L113-I166 HydrophobicContact CB-CG1 3.95Å; L113-I166 HydrophobicContact CB-CG2 3.99Å; L113-I166 HydrophobicContact CD1-CG2 3.41Å; L113-I166 VanDerWaalsContact CD1-CG2 3.41Å; L113-I166 HydrophobicContact CG-CG2 4.31Å |
| 114 | R | 88.8 | Confident | 86.8 | Confident | 94 Ų | 94 | 40.8 Ų | 40.8 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -14.4 | 174.1 | -83.4 | -158.3 | 162.5 | 171.5 | -1.7 | 115.7 | F110 V112 F116 T117 I166 N169 D170 | F110-R114 HydrophobicContact CE1-CG 4.3Å; F110-R114 VanDerWaalsContact CE1-CZ 3.42Å; F110-R114 WeakPolarHBondContact O-CB 3.35Å; F110-R114 WeakPolarHBondContact O-CG 3.34Å; F110-R114 PolarHBondContact O-N 3.47Å; F110-R114 VanDerWaalsContact O-N 3.12Å; V112-R114 VanDerWaalsContact C-N 3.26Å; V112-R114 PolarHBondContact O-N 3.47Å; R114-F116 PolarHBondContact O-N 3.47Å; R114-T117 WeakPolarHBondContact O-CB 3.36Å; R114-T117 PolarHBondContact O-N 3.18Å; R114-T117 PolarHBondContact O-OG1 2.87Å; R114-T117 VanDerWaalsContact O-OG1 3.11Å; R114-I166 HydrophobicContact CG-CD1 3.94Å; R114-N169 PolarHBondContact NE-OD1 2.88Å; R114-N169 PolarHBondContact NH2-OD1 3.33Å; R114-D170 VanDerWaalsContact CA-OD2 3.28Å; R114-D170 WeakPolarHBondContact CA-OD2 3.36Å |
| 115 | K | 89.6 | Confident | 87.5 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.2 | 176.7 | -62.3 | 172.7 | -176.2 | -69.8 | 0 | 112 | V112 L113 T117 I118 I144 A148 C295 | V112-K115 VanDerWaalsContact O-CB 3.26Å; V112-K115 WeakPolarHBondContact O-CB 3.31Å; V112-K115 WeakPolarHBondContact O-CG 3.34Å; V112-K115 PolarHBondContact O-N 2.87Å; L113-K115 PolarHBondContact O-N 2.78Å; K115-T117 PolarHBondContact O-N 3.14Å; K115-I118 WeakPolarHBondContact O-CB 3.5Å; K115-I118 PolarHBondContact O-N 3.35Å; K115-I118 VanDerWaalsContact O-N 3.12Å; K115-I144 HydrophobicContact CB-CG2 4.35Å; K115-A148 HydrophobicContact CB-CB 3.81Å; K115-A148 HydrophobicContact CD-CB 3.76Å; K115-A148 HydrophobicContact CG-CB 4.4Å; K115-C295 HydrophobicContact CD-CB 4.11Å; K115-C295 WeakPolarHBondContact CD-SG 3.4Å |
| 116 | F | 92.8 | Very high | 88 | Confident | 41 Ų | 41 | 37.8 Ų | 37.8 | 18% | 0.18 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -27.1 | 173.9 | -77.1 | -92.9 | 0 | 0 | 0 | 112.3 | L113 R114 I118 L119 M120 V145 A148 M149 L167 | L113-F116 HydrophobicContact CD2-CD2 4.44Å; L113-F116 HydrophobicContact CD2-CE2 4.22Å; L113-F116 WeakPolarHBondContact O-CB 3.24Å; L113-F116 VanDerWaalsContact O-CD2 3.31Å; L113-F116 WeakPolarHBondContact O-CD2 3.3Å; L113-F116 PolarHBondContact O-N 3.42Å; R114-F116 PolarHBondContact O-N 3.47Å; F116-I118 PolarHBondContact O-N 2.9Å; F116-L119 PolarHBondContact O-N 3.49Å; F116-M120 PolarHBondContact O-N 2.9Å; F116-V145 HydrophobicContact CD1-CG1 3.91Å; F116-V145 HydrophobicContact CE1-CG1 3.48Å; F116-V145 VanDerWaalsContact CE1-CG1 3.48Å; F116-V145 HydrophobicContact CZ-CG1 3.98Å; F116-A148 HydrophobicContact CE2-CB 4.22Å; F116-M149 HydrophobicContact CZ-CG 3.71Å; F116-L167 HydrophobicContact CB-CD2 4.12Å; F116-L167 HydrophobicContact CD2-CD2 4.47Å; F116-L167 HydrophobicContact CG-CD2 4.2Å |
| 117 | T | 94.4 | Very high | 88.6 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -47.8 | -35.2 | 169.4 | -60 | 0 | 0 | 0 | 0 | 112.5 | R114 K115 M120 T121 D170 T173 A174 T261 | R114-T117 WeakPolarHBondContact O-CB 3.36Å; R114-T117 PolarHBondContact O-N 3.18Å; R114-T117 PolarHBondContact O-OG1 2.87Å; R114-T117 VanDerWaalsContact O-OG1 3.11Å; K115-T117 PolarHBondContact O-N 3.14Å; T117-M120 PolarHBondContact O-N 3.3Å; T117-T121 VanDerWaalsContact O-CB 3.28Å; T117-T121 WeakPolarHBondContact O-CB 3.2Å; T117-T121 PolarHBondContact O-N 2.8Å; T117-T121 PolarHBondContact O-OG1 2.91Å; T117-D170 PolarHBondContact N-OD2 3.38Å; T117-D170 WeakPolarHBondContact OG1-CA 3.23Å; T117-D170 VanDerWaalsContact OG1-CB 3.25Å; T117-D170 WeakPolarHBondContact OG1-CB 3.21Å; T117-D170 PolarHBondContact OG1-OD1 3Å; T117-D170 PolarHBondContact OG1-OD2 2.68Å; T117-T173 HydrophobicContact CG2-CG2 3.89Å; T117-A174 HydrophobicContact CG2-CB 4.21Å; T117-T261 HydrophobicContact CG2-CG2 3.98Å |
| 118 | I | 94.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -47.9 | 179.8 | -62 | 164.9 | 0 | 0 | 0 | 110.8 | K115 F116 T121 M122 V141 I144 L258 T261 V262 A265 | K115-I118 WeakPolarHBondContact O-CB 3.5Å; K115-I118 PolarHBondContact O-N 3.35Å; K115-I118 VanDerWaalsContact O-N 3.12Å; F116-I118 PolarHBondContact O-N 2.9Å; I118-T121 PolarHBondContact O-N 3.36Å; I118-M122 PolarHBondContact O-N 2.87Å; I118-V141 HydrophobicContact CG2-CG1 4.01Å; I118-V141 HydrophobicContact CG2-CG2 4.12Å; I118-I144 HydrophobicContact CD1-CD1 4.2Å; I118-I144 HydrophobicContact CD1-CG2 3.59Å; I118-I144 HydrophobicContact CG2-CD1 4.49Å; I118-L258 HydrophobicContact CG2-CD1 3.69Å; I118-L258 WeakPolarHBondContact O-CD1 3.28Å; I118-T261 HydrophobicContact CB-CG2 4.46Å; I118-T261 HydrophobicContact CG1-CG2 3.68Å; I118-V262 HydrophobicContact CG1-CG2 4.49Å; I118-V262 HydrophobicContact CG2-CG2 3.69Å; I118-A265 HydrophobicContact CD1-CB 3.71Å |
| 119 | L | 95.4 | Very high | 90 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 177.8 | 178.4 | 65 | 0 | 0 | 0 | 111.1 | F116 T121 M122 I123 V141 V145 | F116-L119 PolarHBondContact O-N 3.49Å; L119-T121 VanDerWaalsContact C-N 3.29Å; L119-T121 PolarHBondContact O-N 2.94Å; L119-M122 HydrophobicContact CD1-CE 4.05Å; L119-M122 WeakPolarHBondContact O-CB 3.31Å; L119-M122 PolarHBondContact O-N 2.95Å; L119-M122 VanDerWaalsContact O-N 3.17Å; L119-I123 HydrophobicContact CD1-CD1 4.26Å; L119-I123 HydrophobicContact CG-CD1 4.04Å; L119-I123 WeakPolarHBondContact O-CG1 3.48Å; L119-I123 PolarHBondContact O-N 3.41Å; L119-V141 HydrophobicContact CB-CG1 4.25Å; L119-V141 HydrophobicContact CD1-CG1 4.07Å; L119-V145 HydrophobicContact CB-CG2 3.73Å; L119-V145 HydrophobicContact CD2-CG2 4.16Å; L119-V145 HydrophobicContact CG-CG2 4.44Å |
| 120 | M | 95.3 | Very high | 90.3 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 27% | 0.271 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 176.5 | -64.4 | -177.1 | -176.4 | 0 | 0 | 111.5 | F116 T117 I123 L124 L167 D170 A171 A174 | F116-M120 PolarHBondContact O-N 2.9Å; T117-M120 PolarHBondContact O-N 3.3Å; M120-I123 PolarHBondContact O-N 2.81Å; M120-L124 VanDerWaalsContact O-CB 3.26Å; M120-L124 WeakPolarHBondContact O-CB 3.39Å; M120-L124 PolarHBondContact O-N 2.87Å; M120-L167 HydrophobicContact CE-CB 4.49Å; M120-L167 HydrophobicContact CE-CD2 4.21Å; M120-D170 HydrophobicContact CE-CB 4.19Å; M120-D170 HydrophobicContact SD-CB 3.79Å; M120-A171 HydrophobicContact SD-CB 3.92Å; M120-A171 PolarHBondContact SD-N 2.94Å; M120-A171 VanDerWaalsContact SD-N 3.4Å; M120-A174 HydrophobicContact CB-CB 3.76Å |
| 121 | T | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 111 | T117 I118 L119 L124 E125 A174 V178 A257 L258 | T117-T121 VanDerWaalsContact O-CB 3.28Å; T117-T121 WeakPolarHBondContact O-CB 3.2Å; T117-T121 PolarHBondContact O-N 2.8Å; T117-T121 PolarHBondContact O-OG1 2.91Å; I118-T121 PolarHBondContact O-N 3.36Å; L119-T121 VanDerWaalsContact C-N 3.29Å; L119-T121 PolarHBondContact O-N 2.94Å; T121-L124 PolarHBondContact O-N 2.86Å; T121-E125 HydrophobicContact CG2-CG 4.41Å; T121-E125 WeakPolarHBondContact O-CB 3.47Å; T121-E125 WeakPolarHBondContact O-CG 3.38Å; T121-E125 PolarHBondContact O-N 3.32Å; T121-A174 WeakPolarHBondContact OG1-CB 3.3Å; T121-V178 HydrophobicContact CG2-CG2 3.88Å; T121-A257 HydrophobicContact CG2-CB 4.15Å; T121-L258 HydrophobicContact CG2-CB 4.25Å; T121-L258 HydrophobicContact CG2-CD1 4.43Å |
| 122 | M | 94.3 | Very high | 90.7 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 178 | -173.6 | -176.3 | 82.4 | 0 | 0 | 111.7 | I118 L119 L124 E125 A126 F133 V138 V141 L258 | I118-M122 PolarHBondContact O-N 2.87Å; L119-M122 HydrophobicContact CD1-CE 4.05Å; L119-M122 WeakPolarHBondContact O-CB 3.31Å; L119-M122 PolarHBondContact O-N 2.95Å; L119-M122 VanDerWaalsContact O-N 3.17Å; M122-L124 VanDerWaalsContact C-N 3.29Å; M122-L124 PolarHBondContact O-N 3.4Å; M122-E125 PolarHBondContact O-N 3.49Å; M122-A126 WeakPolarHBondContact O-CB 3.29Å; M122-A126 PolarHBondContact O-N 3.11Å; M122-F133 HydrophobicContact CG-CD2 3.84Å; M122-F133 HydrophobicContact CG-CE1 4.4Å; M122-F133 HydrophobicContact CG-CE2 3.71Å; M122-F133 HydrophobicContact CG-CG 4.24Å; M122-F133 HydrophobicContact CG-CZ 4Å; M122-F133 WeakPolarHBondContact O-CE2 3.24Å; M122-V138 HydrophobicContact CE-CG1 4.28Å; M122-V138 HydrophobicContact CE-CG2 4.31Å; M122-V138 HydrophobicContact SD-CG2 4.16Å; M122-V141 HydrophobicContact CE-CG1 4.5Å; M122-V141 HydrophobicContact SD-CB 4.02Å; M122-V141 HydrophobicContact SD-CG1 4.08Å; M122-V141 HydrophobicContact SD-CG2 3.91Å; M122-L258 HydrophobicContact CB-CD1 3.97Å; M122-L258 HydrophobicContact CB-CD2 4Å; M122-L258 HydrophobicContact CG-CD2 3.93Å |
| 123 | I | 95 | Very high | 90.9 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 52% | 0.523 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 177.8 | -66.9 | 167.5 | 0 | 0 | 0 | 110.1 | L119 M120 A126 Y127 | L119-I123 HydrophobicContact CD1-CD1 4.26Å; L119-I123 HydrophobicContact CG-CD1 4.04Å; L119-I123 WeakPolarHBondContact O-CG1 3.48Å; L119-I123 PolarHBondContact O-N 3.41Å; M120-I123 PolarHBondContact O-N 2.81Å; I123-A126 WeakPolarHBondContact O-CB 3.11Å; I123-A126 PolarHBondContact O-N 3.41Å; I123-Y127 PolarHBondContact O-N 3.02Å |
| 124 | L | 93.8 | Very high | 91 | Very high | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73 | -35.8 | -177.3 | -166.4 | 68.3 | 0 | 0 | 0 | 112.9 | M120 T121 M122 A126 Y127 L128 A175 V178 | M120-L124 VanDerWaalsContact O-CB 3.26Å; M120-L124 WeakPolarHBondContact O-CB 3.39Å; M120-L124 PolarHBondContact O-N 2.87Å; T121-L124 PolarHBondContact O-N 2.86Å; M122-L124 VanDerWaalsContact C-N 3.29Å; M122-L124 PolarHBondContact O-N 3.4Å; L124-A126 VanDerWaalsContact C-N 3.32Å; L124-Y127 PolarHBondContact O-N 3.14Å; L124-L128 HydrophobicContact CD1-CD1 3.57Å; L124-L128 HydrophobicContact CD1-CG 3.71Å; L124-L128 HydrophobicContact CD2-CD1 4.08Å; L124-L128 HydrophobicContact CG-CD1 3.68Å; L124-L128 HydrophobicContact CG-CG 4.05Å; L124-L128 WeakPolarHBondContact O-CB 3.4Å; L124-L128 PolarHBondContact O-N 3.35Å; L124-A175 HydrophobicContact CD2-CB 3.97Å; L124-V178 HydrophobicContact CB-CG2 4.17Å; L124-V178 HydrophobicContact CD2-CB 3.83Å; L124-V178 HydrophobicContact CD2-CG1 4.26Å; L124-V178 HydrophobicContact CD2-CG2 4Å; L124-V178 HydrophobicContact CG-CB 4.19Å; L124-V178 HydrophobicContact CG-CG1 4.12Å; L124-V178 HydrophobicContact CG-CG2 4.24Å |
| 125 | E | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 169.5 | -78.4 | -157.2 | 139.8 | 0 | 0 | 111.2 | T121 M122 Y127 L129 R130 K131 F133 V178 S256 A257 L258 | T121-E125 HydrophobicContact CG2-CG 4.41Å; T121-E125 WeakPolarHBondContact O-CB 3.47Å; T121-E125 WeakPolarHBondContact O-CG 3.38Å; T121-E125 PolarHBondContact O-N 3.32Å; M122-E125 PolarHBondContact O-N 3.49Å; E125-Y127 PolarHBondContact O-N 3.25Å; E125-L129 CarbonylContact O-C 3.51Å; E125-L129 WeakPolarHBondContact O-CA 3.32Å; E125-L129 WeakPolarHBondContact O-CB 3.46Å; E125-L129 PolarHBondContact O-N 3.04Å; E125-L129 VanDerWaalsContact O-N 3.11Å; E125-R130 PolarHBondContact O-N 3.27Å; E125-K131 PolarHBondContact O-N 3.41Å; E125-F133 HydrophobicContact CB-CE2 4.3Å; E125-F133 HydrophobicContact CB-CZ 3.84Å; E125-V178 HydrophobicContact CG-CG1 4.34Å; E125-V178 HydrophobicContact CG-CG2 3.8Å; E125-S256 VanDerWaalsContact OE1-CB 3.25Å; E125-S256 WeakPolarHBondContact OE1-CB 3.27Å; E125-S256 PolarHBondContact OE2-OG 3.07Å; E125-A257 HydrophobicContact CG-CB 4.36Å; E125-A257 WeakPolarHBondContact OE1-CA 3.4Å; E125-A257 VanDerWaalsContact OE1-CB 3.24Å; E125-A257 WeakPolarHBondContact OE1-CB 3.49Å; E125-A257 PolarHBondContact OE1-N 2.88Å; E125-L258 PolarHBondContact OE1-N 3.36Å; E125-L258 WeakPolarHBondContact OE2-CB 3.41Å; E125-L258 PolarHBondContact OE2-N 2.95Å |
| 126 | A | 90.6 | Very high | 91.1 | Very high | 43 Ų | 43 | 72.8 Ų | 72.8 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M122 I123 L124 R130 K131 F133 | M122-A126 WeakPolarHBondContact O-CB 3.29Å; M122-A126 PolarHBondContact O-N 3.11Å; I123-A126 WeakPolarHBondContact O-CB 3.11Å; I123-A126 PolarHBondContact O-N 3.41Å; L124-A126 VanDerWaalsContact C-N 3.32Å; A126-R130 WeakPolarHBondContact O-CA 3.45Å; A126-R130 PolarHBondContact O-N 3.19Å; A126-K131 WeakPolarHBondContact CA-O 3.19Å; A126-F133 HydrophobicContact CB-CD2 4.43Å; A126-F133 HydrophobicContact CB-CE2 4.04Å |
| 127 | Y | 92.2 | Very high | 91 | Very high | 187 Ų | 187 | 71.4 Ų | 71.4 | 73% | 0.733 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -79.4 | -51.1 | -177.4 | -171.9 | -101.1 | 0 | 0 | 0 | 113.5 | I123 L124 E125 | I123-Y127 PolarHBondContact O-N 3.02Å; L124-Y127 PolarHBondContact O-N 3.14Å; E125-Y127 PolarHBondContact O-N 3.25Å |
| 128 | L | 88.6 | Confident | 90.9 | Very high | 38 Ų | 38 | 73.6 Ų | 73.6 | 20% | 0.199 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -83.7 | -34.1 | -172.7 | -68.9 | -175.2 | 0 | 0 | 0 | 114.2 | L124 V178 Y179 | L124-L128 HydrophobicContact CD1-CD1 3.57Å; L124-L128 HydrophobicContact CD1-CG 3.71Å; L124-L128 HydrophobicContact CD2-CD1 4.08Å; L124-L128 HydrophobicContact CG-CD1 3.68Å; L124-L128 HydrophobicContact CG-CG 4.05Å; L124-L128 WeakPolarHBondContact O-CB 3.4Å; L124-L128 PolarHBondContact O-N 3.35Å; L128-V178 HydrophobicContact CB-CG1 4.29Å; L128-V178 HydrophobicContact CD1-CG1 4.17Å; L128-Y179 HydrophobicContact CD1-CD2 4.18Å; L128-Y179 HydrophobicContact CD1-CE1 4.33Å; L128-Y179 HydrophobicContact CD1-CE2 3.64Å |
| 129 | L | 87.2 | Confident | 90.9 | Very high | 57 Ų | 57 | 77.1 Ų | 77.1 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -102 | -2 | -179.6 | -80.8 | 62.6 | 0 | 0 | 0 | 111.6 | E125 K131 V178 K181 K182 | E125-L129 CarbonylContact O-C 3.51Å; E125-L129 WeakPolarHBondContact O-CA 3.32Å; E125-L129 WeakPolarHBondContact O-CB 3.46Å; E125-L129 PolarHBondContact O-N 3.04Å; E125-L129 VanDerWaalsContact O-N 3.11Å; L129-K131 PolarHBondContact O-N 3.34Å; L129-V178 HydrophobicContact CD1-CG1 3.39Å; L129-K181 HydrophobicContact CD2-CG 3.84Å; L129-K182 HydrophobicContact CD1-CB 4.17Å |
| 130 | R | 86.4 | Confident | 90.9 | Very high | 225 Ų | 225 | 75.1 Ų | 75.1 | 85% | 0.849 | 37% | 0.365 | S | S | * | . | trans | 53.3 | 33.7 | -177.5 | -61.4 | -173.2 | 176.5 | -175.8 | -0.9 | 113 | E125 A126 | E125-R130 PolarHBondContact O-N 3.27Å; A126-R130 WeakPolarHBondContact O-CA 3.45Å; A126-R130 PolarHBondContact O-N 3.19Å | ||
| 131 | K | 84.9 | Confident | 90.8 | Very high | 84 Ų | 84 | 72.5 Ų | 72.5 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | trans | -81.6 | 134.8 | -179.2 | -170.9 | 172.7 | 178.1 | 178.4 | 0 | 110.6 | E125 A126 L129 F133 S256 | E125-K131 PolarHBondContact O-N 3.41Å; A126-K131 WeakPolarHBondContact CA-O 3.19Å; L129-K131 PolarHBondContact O-N 3.34Å; K131-F133 HydrophobicContact CB-CE2 4.44Å; K131-F133 HydrophobicContact CB-CZ 4.34Å; K131-F133 HydrophobicContact CD-CE1 3.94Å; K131-F133 HydrophobicContact CD-CZ 3.94Å; K131-F133 HydrophobicContact CG-CE1 4.32Å; K131-F133 HydrophobicContact CG-CZ 4.15Å; K131-S256 PolarHBondContact NZ-OG 3.31Å | ||
| 132 | T | 85.1 | Confident | 90.8 | Very high | 130 Ų | 130 | 76.4 Ų | 76.4 | 80% | 0.798 | 38% | 0.375 | S | S | * | . | trans | -94.4 | 145.6 | 171.2 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 133 | F | 87.7 | Confident | 90.8 | Very high | 44 Ų | 44 | 79 Ų | 79 | 19% | 0.193 | 39% | 0.388 | C | S | . | . | trans | -119.3 | 140.5 | 179.8 | -63.2 | -79.3 | 0 | 0 | 0 | 109.8 | M122 E125 A126 K131 V137 V138 L258 | M122-F133 HydrophobicContact CG-CD2 3.84Å; M122-F133 HydrophobicContact CG-CE1 4.4Å; M122-F133 HydrophobicContact CG-CE2 3.71Å; M122-F133 HydrophobicContact CG-CG 4.24Å; M122-F133 HydrophobicContact CG-CZ 4Å; M122-F133 WeakPolarHBondContact O-CE2 3.24Å; E125-F133 HydrophobicContact CB-CE2 4.3Å; E125-F133 HydrophobicContact CB-CZ 3.84Å; A126-F133 HydrophobicContact CB-CD2 4.43Å; A126-F133 HydrophobicContact CB-CE2 4.04Å; K131-F133 HydrophobicContact CB-CE2 4.44Å; K131-F133 HydrophobicContact CB-CZ 4.34Å; K131-F133 HydrophobicContact CD-CE1 3.94Å; K131-F133 HydrophobicContact CD-CZ 3.94Å; K131-F133 HydrophobicContact CG-CE1 4.32Å; K131-F133 HydrophobicContact CG-CZ 4.15Å; F133-V137 HydrophobicContact CB-CG1 4.38Å; F133-V137 HydrophobicContact CD1-CG1 3.99Å; F133-V138 HydrophobicContact CB-CG2 3.93Å; F133-L258 HydrophobicContact CD1-CD2 4.11Å; F133-L258 HydrophobicContact CE1-CD2 3.52Å; F133-L258 HydrophobicContact CZ-CD2 4.03Å | ||
| 134 | S | 90.3 | Very high | 90.7 | Very high | 55 Ų | 55 | 74.3 Ų | 74.3 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | trans | -69.4 | 151.3 | 174.4 | 71.1 | 0 | 0 | 0 | 0 | 110.4 | H136 V137 V138 | S134-H136 PolarHBondContact O-N 3.03Å; S134-H136 VanDerWaalsContact O-N 3.15Å; S134-V137 PolarHBondContact O-N 3.04Å; S134-V137 WeakPolarHBondContact OG-CG2 3.25Å; S134-V137 PolarHBondContact OG-N 3.23Å; S134-V138 PolarHBondContact O-N 2.98Å; S134-V138 VanDerWaalsContact O-N 3.09Å | ||
| 135 | R | 89.3 | Confident | 90.6 | Very high | 224 Ų | 224 | 73.1 Ų | 73.1 | 85% | 0.845 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -54.6 | -35.5 | 178.2 | -67.6 | -177.4 | 177.9 | 174.9 | -0.7 | 112.4 | V138 C139 | R135-V138 PolarHBondContact O-N 2.92Å; R135-C139 WeakPolarHBondContact O-CB 3.34Å; R135-C139 PolarHBondContact O-N 3.43Å |
| 136 | H | 91 | Very high | 90.7 | Very high | 127 Ų | 127 | 78.7 Ų | 78.7 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 177 | -55.9 | 95.1 | 0 | 0 | 0 | 112.3 | S134 C139 S140 L305 | S134-H136 PolarHBondContact O-N 3.03Å; S134-H136 VanDerWaalsContact O-N 3.15Å; H136-C139 WeakPolarHBondContact O-CB 3.42Å; H136-C139 PolarHBondContact O-N 3.37Å; H136-S140 PolarHBondContact O-N 3.26Å; H136-S140 PolarHBondContact O-OG 2.88Å; H136-L305 HydrophobicContact CB-CD1 3.64Å; H136-L305 HydrophobicContact CB-CD2 4Å; H136-L305 HydrophobicContact CB-CG 4.44Å |
| 137 | V | 90.4 | Very high | 90.7 | Very high | 12 Ų | 12 | 76.7 Ų | 76.7 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.7 | 165.8 | 0 | 0 | 0 | 0 | 111.3 | F133 S134 C139 S140 V141 Y302 L305 | F133-V137 HydrophobicContact CB-CG1 4.38Å; F133-V137 HydrophobicContact CD1-CG1 3.99Å; S134-V137 PolarHBondContact O-N 3.04Å; S134-V137 WeakPolarHBondContact OG-CG2 3.25Å; S134-V137 PolarHBondContact OG-N 3.23Å; V137-C139 VanDerWaalsContact C-N 3.34Å; V137-S140 PolarHBondContact O-N 2.74Å; V137-V141 PolarHBondContact O-N 2.67Å; V137-Y302 HydrophobicContact CG1-CD2 3.8Å; V137-Y302 HydrophobicContact CG1-CE2 3.5Å; V137-L305 HydrophobicContact CG2-CB 4.37Å |
| 138 | V | 93.3 | Very high | 90.6 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.8 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | M122 F133 S134 R135 S140 V141 V142 | M122-V138 HydrophobicContact CE-CG1 4.28Å; M122-V138 HydrophobicContact CE-CG2 4.31Å; M122-V138 HydrophobicContact SD-CG2 4.16Å; F133-V138 HydrophobicContact CB-CG2 3.93Å; S134-V138 PolarHBondContact O-N 2.98Å; S134-V138 VanDerWaalsContact O-N 3.09Å; R135-V138 PolarHBondContact O-N 2.92Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 3.22Å; V138-V141 PolarHBondContact O-N 3.35Å; V138-V142 HydrophobicContact CG1-CG2 4.36Å; V138-V142 WeakPolarHBondContact O-CG2 3.16Å; V138-V142 PolarHBondContact O-N 3.24Å |
| 139 | C | 93.9 | Very high | 90.7 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 51% | 0.514 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | R135 H136 V137 V141 V142 M143 | R135-C139 WeakPolarHBondContact O-CB 3.34Å; R135-C139 PolarHBondContact O-N 3.43Å; H136-C139 WeakPolarHBondContact O-CB 3.42Å; H136-C139 PolarHBondContact O-N 3.37Å; V137-C139 VanDerWaalsContact C-N 3.34Å; C139-V141 PolarHBondContact O-N 2.94Å; C139-V142 PolarHBondContact O-N 3.43Å; C139-M143 WeakPolarHBondContact O-CB 3.32Å; C139-M143 PolarHBondContact O-N 3.02Å |
| 140 | S | 94.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 5% | 0.049 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | H136 V137 V138 M143 I144 Y302 L305 | H136-S140 PolarHBondContact O-N 3.26Å; H136-S140 PolarHBondContact O-OG 2.88Å; V137-S140 PolarHBondContact O-N 2.74Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 3.22Å; S140-M143 WeakPolarHBondContact O-CB 3.46Å; S140-M143 PolarHBondContact O-N 3Å; S140-I144 WeakPolarHBondContact O-CG1 3.45Å; S140-I144 PolarHBondContact O-N 3.35Å; S140-Y302 PolarHBondContact OG-N 2.91Å; S140-L305 WeakPolarHBondContact OG-CD1 3.41Å |
| 141 | V | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I118 L119 M122 V137 V138 C139 M143 I144 V145 L258 Y302 | I118-V141 HydrophobicContact CG2-CG1 4.01Å; I118-V141 HydrophobicContact CG2-CG2 4.12Å; L119-V141 HydrophobicContact CB-CG1 4.25Å; L119-V141 HydrophobicContact CD1-CG1 4.07Å; M122-V141 HydrophobicContact CE-CG1 4.5Å; M122-V141 HydrophobicContact SD-CB 4.02Å; M122-V141 HydrophobicContact SD-CG1 4.08Å; M122-V141 HydrophobicContact SD-CG2 3.91Å; V137-V141 PolarHBondContact O-N 2.67Å; V138-V141 PolarHBondContact O-N 3.35Å; C139-V141 PolarHBondContact O-N 2.94Å; V141-M143 VanDerWaalsContact C-N 3.3Å; V141-M143 PolarHBondContact O-N 2.87Å; V141-I144 PolarHBondContact O-N 3.39Å; V141-I144 VanDerWaalsContact O-N 3.15Å; V141-V145 WeakPolarHBondContact O-CG2 3.06Å; V141-V145 PolarHBondContact O-N 2.98Å; V141-L258 HydrophobicContact CG2-CD1 4.48Å; V141-L258 HydrophobicContact CG2-CD2 4.45Å; V141-Y302 HydrophobicContact CG2-CD2 4.17Å; V141-Y302 HydrophobicContact CG2-CE2 4.45Å |
| 142 | V | 94.2 | Very high | 90.7 | Very high | 82 Ų | 82 | 56.2 Ų | 56.2 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | V138 C139 I144 V145 F146 | V138-V142 HydrophobicContact CG1-CG2 4.36Å; V138-V142 WeakPolarHBondContact O-CG2 3.16Å; V138-V142 PolarHBondContact O-N 3.24Å; C139-V142 PolarHBondContact O-N 3.43Å; V142-I144 VanDerWaalsContact C-N 3.33Å; V142-I144 PolarHBondContact O-N 3.01Å; V142-V145 PolarHBondContact O-N 3.5Å; V142-F146 WeakPolarHBondContact O-CB 3.02Å; V142-F146 PolarHBondContact O-N 3.47Å |
| 143 | M | 94.1 | Very high | 90.5 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 175 | -175.4 | -175.3 | -68.8 | 0 | 0 | 112.2 | C139 S140 V141 F146 G147 I294 | C139-M143 WeakPolarHBondContact O-CB 3.32Å; C139-M143 PolarHBondContact O-N 3.02Å; S140-M143 WeakPolarHBondContact O-CB 3.46Å; S140-M143 PolarHBondContact O-N 3Å; V141-M143 VanDerWaalsContact C-N 3.3Å; V141-M143 PolarHBondContact O-N 2.87Å; M143-F146 PolarHBondContact O-N 2.97Å; M143-G147 PolarHBondContact O-N 3.26Å; M143-I294 HydrophobicContact CG-CG2 3.93Å |
| 144 | I | 92.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 176.6 | -62.7 | 163.7 | 0 | 0 | 0 | 111.1 | K115 I118 S140 V141 V142 F146 G147 A148 V262 C295 | K115-I144 HydrophobicContact CB-CG2 4.35Å; I118-I144 HydrophobicContact CD1-CD1 4.2Å; I118-I144 HydrophobicContact CD1-CG2 3.59Å; I118-I144 HydrophobicContact CG2-CD1 4.49Å; S140-I144 WeakPolarHBondContact O-CG1 3.45Å; S140-I144 PolarHBondContact O-N 3.35Å; V141-I144 PolarHBondContact O-N 3.39Å; V141-I144 VanDerWaalsContact O-N 3.15Å; V142-I144 VanDerWaalsContact C-N 3.33Å; V142-I144 PolarHBondContact O-N 3.01Å; I144-F146 VanDerWaalsContact C-N 3.33Å; I144-G147 PolarHBondContact O-N 3.32Å; I144-A148 PolarHBondContact O-N 3.3Å; I144-V262 HydrophobicContact CD1-CG1 4.43Å; I144-V262 HydrophobicContact CD1-CG2 4.44Å; I144-C295 HydrophobicContact CG2-CB 4.42Å; I144-C295 PolarHBondContact O-SG 3.31Å |
| 145 | V | 92.9 | Very high | 89.2 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | F116 L119 V141 V142 G147 A148 M149 | F116-V145 HydrophobicContact CD1-CG1 3.91Å; F116-V145 HydrophobicContact CE1-CG1 3.48Å; F116-V145 VanDerWaalsContact CE1-CG1 3.48Å; F116-V145 HydrophobicContact CZ-CG1 3.98Å; L119-V145 HydrophobicContact CB-CG2 3.73Å; L119-V145 HydrophobicContact CD2-CG2 4.16Å; L119-V145 HydrophobicContact CG-CG2 4.44Å; V141-V145 WeakPolarHBondContact O-CG2 3.06Å; V141-V145 PolarHBondContact O-N 2.98Å; V142-V145 PolarHBondContact O-N 3.5Å; V145-G147 PolarHBondContact O-N 3.11Å; V145-A148 WeakPolarHBondContact O-CA 3.21Å; V145-A148 WeakPolarHBondContact O-CB 3.17Å; V145-A148 PolarHBondContact O-N 2.87Å; V145-A148 VanDerWaalsContact O-N 3.11Å; V145-M149 HydrophobicContact CG1-SD 4.43Å; V145-M149 WeakPolarHBondContact O-CG 3.42Å; V145-M149 PolarHBondContact O-N 3.31Å |
| 146 | F | 92.5 | Very high | 88 | Confident | 117 Ų | 117 | 51.7 Ų | 51.7 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 175.9 | 179.2 | -102.9 | 0 | 0 | 0 | 111.7 | V142 M143 I144 A148 M149 V150 I294 | V142-F146 WeakPolarHBondContact O-CB 3.02Å; V142-F146 PolarHBondContact O-N 3.47Å; M143-F146 PolarHBondContact O-N 2.97Å; I144-F146 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 3.26Å; F146-M149 WeakPolarHBondContact O-CB 2.93Å; F146-M149 PolarHBondContact O-N 2.82Å; F146-M149 VanDerWaalsContact O-N 3.14Å; F146-V150 HydrophobicContact CD1-CG2 4.3Å; F146-V150 HydrophobicContact CE1-CG2 3.86Å; F146-V150 HydrophobicContact CE2-CG2 4.33Å; F146-V150 HydrophobicContact CZ-CG2 3.89Å; F146-V150 WeakPolarHBondContact O-CG2 3.29Å; F146-V150 PolarHBondContact O-N 3.39Å; F146-I294 HydrophobicContact CD1-CG2 4.29Å; F146-I294 HydrophobicContact CE1-CD1 4.43Å |
| 147 | G | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -35.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | M143 I144 V145 V150 A151 G291 | M143-G147 PolarHBondContact O-N 3.26Å; I144-G147 PolarHBondContact O-N 3.32Å; V145-G147 PolarHBondContact O-N 3.11Å; G147-V150 PolarHBondContact O-N 3.35Å; G147-A151 PolarHBondContact O-N 3.35Å; G147-G291 CarbonylContact C-O 3.51Å; G147-G291 CarbonylContact O-C 3.44Å; G147-G291 WeakPolarHBondContact O-CA 3.48Å |
| 148 | A | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | V112 K115 F116 I144 V145 F146 V150 A151 A152 C295 | V112-A148 HydrophobicContact CG1-CB 4.12Å; V112-A148 WeakPolarHBondContact CG1-O 3.46Å; K115-A148 HydrophobicContact CB-CB 3.81Å; K115-A148 HydrophobicContact CD-CB 3.76Å; K115-A148 HydrophobicContact CG-CB 4.4Å; F116-A148 HydrophobicContact CE2-CB 4.22Å; I144-A148 PolarHBondContact O-N 3.3Å; V145-A148 WeakPolarHBondContact O-CA 3.21Å; V145-A148 WeakPolarHBondContact O-CB 3.17Å; V145-A148 PolarHBondContact O-N 2.87Å; V145-A148 VanDerWaalsContact O-N 3.11Å; F146-A148 PolarHBondContact O-N 3.26Å; A148-V150 PolarHBondContact O-N 3.15Å; A148-A151 PolarHBondContact O-N 2.96Å; A148-A152 VanDerWaalsContact O-CB 3.25Å; A148-A152 WeakPolarHBondContact O-CB 3.17Å; A148-A152 PolarHBondContact O-N 3.2Å; A148-C295 PolarHBondContact N-SG 3.02Å |
| 149 | M | 89.8 | Confident | 85.8 | Confident | 109 Ų | 109 | 55 Ų | 55 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 175.6 | -69.1 | 178.6 | 68.1 | 0 | 0 | 112.3 | F116 V145 F146 A152 S153 | F116-M149 HydrophobicContact CZ-CG 3.71Å; V145-M149 HydrophobicContact CG1-SD 4.43Å; V145-M149 WeakPolarHBondContact O-CG 3.42Å; V145-M149 PolarHBondContact O-N 3.31Å; F146-M149 WeakPolarHBondContact O-CB 2.93Å; F146-M149 PolarHBondContact O-N 2.82Å; F146-M149 VanDerWaalsContact O-N 3.14Å; M149-A152 PolarHBondContact O-N 3.26Å; M149-S153 PolarHBondContact O-N 3.01Å |
| 150 | V | 89.9 | Confident | 85.4 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F146 G147 A148 A152 S153 I287 L290 | F146-V150 HydrophobicContact CD1-CG2 4.3Å; F146-V150 HydrophobicContact CE1-CG2 3.86Å; F146-V150 HydrophobicContact CE2-CG2 4.33Å; F146-V150 HydrophobicContact CZ-CG2 3.89Å; F146-V150 WeakPolarHBondContact O-CG2 3.29Å; F146-V150 PolarHBondContact O-N 3.39Å; G147-V150 PolarHBondContact O-N 3.35Å; A148-V150 PolarHBondContact O-N 3.15Å; V150-A152 VanDerWaalsContact C-N 3.3Å; V150-A152 PolarHBondContact O-N 3.43Å; V150-S153 PolarHBondContact O-N 3.16Å; V150-S153 PolarHBondContact O-OG 3.38Å; V150-I287 HydrophobicContact CG1-CG2 4.35Å; V150-I287 WeakPolarHBondContact O-CG2 3.41Å; V150-L290 HydrophobicContact CG1-CD2 4.4Å |
| 151 | A | 84.6 | Confident | 85.1 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V112 G147 A148 S154 | V112-A151 HydrophobicContact CB-CB 4.43Å; V112-A151 HydrophobicContact CG1-CB 3.83Å; V112-A151 HydrophobicContact CG2-CB 3.66Å; G147-A151 PolarHBondContact O-N 3.35Å; A148-A151 PolarHBondContact O-N 2.96Å; A151-S154 PolarHBondContact O-OG 3.12Å |
| 152 | A | 83.9 | Confident | 84.8 | Confident | 18 Ų | 18 | 60 Ų | 60 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.7 | -27.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M109 V112 A148 M149 V150 S154 D155 | M109-A152 HydrophobicContact CE-CB 3.26Å; M109-A152 HydrophobicContact SD-CB 4.03Å; V112-A152 HydrophobicContact CG1-CB 4.01Å; A148-A152 VanDerWaalsContact O-CB 3.25Å; A148-A152 WeakPolarHBondContact O-CB 3.17Å; A148-A152 PolarHBondContact O-N 3.2Å; M149-A152 PolarHBondContact O-N 3.26Å; V150-A152 VanDerWaalsContact C-N 3.3Å; V150-A152 PolarHBondContact O-N 3.43Å; A152-S154 PolarHBondContact O-N 3.14Å; A152-S154 VanDerWaalsContact O-N 3.12Å; A152-D155 WeakPolarHBondContact O-CB 3.44Å; A152-D155 PolarHBondContact O-N 3.21Å; A152-D155 VanDerWaalsContact O-N 3.08Å |
| 153 | S | 82.4 | Confident | 84.6 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.4 | -173.8 | 70.7 | 0 | 0 | 0 | 0 | 114.1 | M149 V150 | M149-S153 PolarHBondContact O-N 3.01Å; V150-S153 PolarHBondContact O-N 3.16Å; V150-S153 PolarHBondContact O-OG 3.38Å |
| 154 | S | 75.6 | Confident | 84.4 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.1 | 175.3 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | A151 A152 L156 | A151-S154 PolarHBondContact O-OG 3.12Å; A152-S154 PolarHBondContact O-N 3.14Å; A152-S154 VanDerWaalsContact O-N 3.12Å; S154-L156 PolarHBondContact O-N 3.45Å |
| 155 | D | 74.2 | Confident | 84.3 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | trans | -78.3 | 111.4 | -178 | -162.8 | 3.4 | 0 | 0 | 0 | 111.8 | M109 A152 A157 Y163 | M109-D155 VanDerWaalsContact CG-OD2 3.3Å; M109-D155 WeakPolarHBondContact CG-OD2 3.13Å; M109-D155 HydrophobicContact SD-CB 4.28Å; A152-D155 WeakPolarHBondContact O-CB 3.44Å; A152-D155 PolarHBondContact O-N 3.21Å; A152-D155 VanDerWaalsContact O-N 3.08Å; D155-A157 VanDerWaalsContact C-N 3.31Å; D155-A157 PolarHBondContact OD1-N 3.47Å; D155-Y163 PolarHBondContact OD2-OH 2.93Å | ||
| 156 | L | 63.7 | Low | 84.3 | Confident | 181 Ų | 181 | 60 Ų | 60 | 95% | 0.948 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -81 | -12.3 | 175 | -68.6 | 164.7 | 0 | 0 | 0 | 112.1 | S154 | S154-L156 PolarHBondContact O-N 3.45Š|
| 157 | A | 69.3 | Low | 84.3 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | trans | -103 | 39.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D155 D159 | D155-A157 VanDerWaalsContact C-N 3.31Å; D155-A157 PolarHBondContact OD1-N 3.47Å; A157-D159 PolarHBondContact O-N 3.12Å; A157-D159 VanDerWaalsContact O-N 3.15Å | ||
| 158 | F | 76.1 | Confident | 84.5 | Confident | 131 Ų | 131 | 61 Ų | 61 | 58% | 0.575 | 34% | 0.34 | S | S | * | . | trans | -63.3 | 114.7 | -178.6 | -178.7 | -104.2 | 0 | 0 | 0 | 111.9 | V160 Y163 | F158-V160 HydrophobicContact CD1-CG2 4.27Å; F158-V160 HydrophobicContact CE1-CG2 3.42Å; F158-V160 VanDerWaalsContact CE1-CG2 3.42Å; F158-V160 HydrophobicContact CZ-CG2 3.91Å; F158-Y163 AromaticContact CD2-CD1 3.98Å; F158-Y163 HydrophobicContact CD2-CD1 3.98Å; F158-Y163 HydrophobicContact CD2-CD2 4.22Å; F158-Y163 AromaticContact CD2-CE1 3.59Å; F158-Y163 HydrophobicContact CD2-CE1 3.59Å; F158-Y163 AromaticContact CD2-CE2 3.88Å; F158-Y163 HydrophobicContact CD2-CE2 3.88Å; F158-Y163 HydrophobicContact CD2-CG 4.25Å; F158-Y163 AromaticContact CD2-CZ 3.51Å; F158-Y163 AromaticContact CE2-CD1 3.57Å; F158-Y163 HydrophobicContact CE2-CD1 3.57Å; F158-Y163 HydrophobicContact CE2-CD2 4.33Å; F158-Y163 AromaticContact CE2-CE1 3.61Å; F158-Y163 HydrophobicContact CE2-CE1 3.61Å; F158-Y163 HydrophobicContact CE2-CE2 4.38Å; F158-Y163 AromaticContact CE2-CG 3.92Å; F158-Y163 HydrophobicContact CE2-CG 3.92Å | ||
| 159 | D | 83.6 | Confident | 84.7 | Confident | 58 Ų | 58 | 61 Ų | 61 | 31% | 0.31 | 34% | 0.34 | S | S | . | . | trans | -120.8 | 111.9 | 174.3 | 177.1 | -18.4 | 0 | 0 | 0 | 109.1 | A157 E161 A162 Y163 | A157-D159 PolarHBondContact O-N 3.12Å; A157-D159 VanDerWaalsContact O-N 3.15Å; D159-E161 PolarHBondContact O-N 3.5Å; D159-E161 WeakPolarHBondContact OD1-CA 3.24Å; D159-E161 VanDerWaalsContact OD1-CB 3.26Å; D159-E161 WeakPolarHBondContact OD1-CB 3.26Å; D159-E161 PolarHBondContact OD1-N 3.29Å; D159-A162 HydrophobicContact CB-CB 3.77Å; D159-A162 PolarHBondContact O-N 3.13Å; D159-A162 PolarHBondContact OD1-N 3.44Å; D159-A162 VanDerWaalsContact OD1-N 3.14Å; D159-Y163 WeakPolarHBondContact O-CB 3.47Å; D159-Y163 WeakPolarHBondContact O-CD2 3.41Å; D159-Y163 PolarHBondContact O-N 3.46Å | ||
| 160 | V | 86.8 | Confident | 84.9 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.5 | -38.6 | -178.5 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | F158 T164 | F158-V160 HydrophobicContact CD1-CG2 4.27Å; F158-V160 HydrophobicContact CE1-CG2 3.42Å; F158-V160 VanDerWaalsContact CE1-CG2 3.42Å; F158-V160 HydrophobicContact CZ-CG2 3.91Å; V160-T164 WeakPolarHBondContact O-CB 3.5Å; V160-T164 PolarHBondContact O-N 2.94Å; V160-T164 PolarHBondContact O-OG1 2.87Å |
| 161 | E | 87.9 | Confident | 85.2 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.2 | -46.2 | -179.4 | -161.5 | -165.3 | 151.5 | 0 | 0 | 110.1 | K104 D159 Y163 T164 F165 | K104-E161 IonicContact NZ-OE1 3.05Å; K104-E161 PolarHBondContact NZ-OE1 3.37Å; K104-E161 IonicContact NZ-OE2 2.71Å; K104-E161 PolarHBondContact NZ-OE2 3.06Å; D159-E161 PolarHBondContact O-N 3.5Å; D159-E161 WeakPolarHBondContact OD1-CA 3.24Å; D159-E161 VanDerWaalsContact OD1-CB 3.26Å; D159-E161 WeakPolarHBondContact OD1-CB 3.26Å; D159-E161 PolarHBondContact OD1-N 3.29Å; E161-Y163 VanDerWaalsContact C-N 3.34Å; E161-Y163 PolarHBondContact O-N 3.42Å; E161-T164 PolarHBondContact O-N 3.44Å; E161-F165 HydrophobicContact CG-CD2 4.16Å; E161-F165 HydrophobicContact CG-CE2 3.7Å; E161-F165 WeakPolarHBondContact O-CD2 3.44Å; E161-F165 PolarHBondContact O-N 3.36Å; E161-F165 WeakPolarHBondContact OE1-CE2 3.42Å |
| 162 | A | 86.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K104 L105 D159 F165 I166 | K104-A162 HydrophobicContact CB-CB 3.55Å; K104-A162 HydrophobicContact CD-CB 4.24Å; L105-A162 HydrophobicContact CD2-CB 3.57Å; L105-A162 HydrophobicContact CG-CB 3.87Å; D159-A162 HydrophobicContact CB-CB 3.77Å; D159-A162 PolarHBondContact O-N 3.13Å; D159-A162 PolarHBondContact OD1-N 3.44Å; D159-A162 VanDerWaalsContact OD1-N 3.14Å; A162-F165 PolarHBondContact O-N 2.94Å; A162-I166 WeakPolarHBondContact O-CG2 3.44Å; A162-I166 PolarHBondContact O-N 2.87Å; A162-I166 VanDerWaalsContact O-N 3.11Å |
| 163 | Y | 89.6 | Confident | 85.9 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68 | -37.2 | 177 | -83.6 | -125.8 | 0 | 0 | 0 | 111.9 | L105 M109 L113 D155 F158 D159 E161 I166 L167 | L105-Y163 HydrophobicContact CD2-CD2 3.74Å; L105-Y163 HydrophobicContact CD2-CE2 3.71Å; M109-Y163 HydrophobicContact CE-CE1 3.43Å; M109-Y163 VanDerWaalsContact CE-CE1 3.43Å; M109-Y163 HydrophobicContact CE-CE2 4.41Å; M109-Y163 WeakPolarHBondContact CE-OH 3.34Å; M109-Y163 HydrophobicContact CG-CE2 4.39Å; L113-Y163 HydrophobicContact CD1-CD1 3.7Å; L113-Y163 HydrophobicContact CD1-CD2 4.12Å; L113-Y163 HydrophobicContact CD1-CE1 3.8Å; L113-Y163 HydrophobicContact CD1-CE2 4.2Å; L113-Y163 HydrophobicContact CD1-CG 3.9Å; L113-Y163 HydrophobicContact CD2-CD1 4.13Å; L113-Y163 HydrophobicContact CD2-CE1 4.06Å; L113-Y163 HydrophobicContact CG-CE1 4.47Å; D155-Y163 PolarHBondContact OD2-OH 2.93Å; F158-Y163 AromaticContact CD2-CD1 3.98Å; F158-Y163 HydrophobicContact CD2-CD1 3.98Å; F158-Y163 HydrophobicContact CD2-CD2 4.22Å; F158-Y163 AromaticContact CD2-CE1 3.59Å; F158-Y163 HydrophobicContact CD2-CE1 3.59Å; F158-Y163 AromaticContact CD2-CE2 3.88Å; F158-Y163 HydrophobicContact CD2-CE2 3.88Å; F158-Y163 HydrophobicContact CD2-CG 4.25Å; F158-Y163 AromaticContact CD2-CZ 3.51Å; F158-Y163 AromaticContact CE2-CD1 3.57Å; F158-Y163 HydrophobicContact CE2-CD1 3.57Å; F158-Y163 HydrophobicContact CE2-CD2 4.33Å; F158-Y163 AromaticContact CE2-CE1 3.61Å; F158-Y163 HydrophobicContact CE2-CE1 3.61Å; F158-Y163 HydrophobicContact CE2-CE2 4.38Å; F158-Y163 AromaticContact CE2-CG 3.92Å; F158-Y163 HydrophobicContact CE2-CG 3.92Å; D159-Y163 WeakPolarHBondContact O-CB 3.47Å; D159-Y163 WeakPolarHBondContact O-CD2 3.41Å; D159-Y163 PolarHBondContact O-N 3.46Å; E161-Y163 VanDerWaalsContact C-N 3.34Å; E161-Y163 PolarHBondContact O-N 3.42Å; Y163-I166 WeakPolarHBondContact O-CG2 3.47Å; Y163-L167 WeakPolarHBondContact O-CB 3.33Å; Y163-L167 VanDerWaalsContact O-CG 3.29Å; Y163-L167 WeakPolarHBondContact O-CG 3.47Å; Y163-L167 PolarHBondContact O-N 3.42Å |
| 164 | T | 91 | Very high | 86.5 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | V160 E161 I166 L167 L168 | V160-T164 WeakPolarHBondContact O-CB 3.5Å; V160-T164 PolarHBondContact O-N 2.94Å; V160-T164 PolarHBondContact O-OG1 2.87Å; E161-T164 PolarHBondContact O-N 3.44Å; T164-I166 PolarHBondContact O-N 3.06Å; T164-L167 PolarHBondContact O-N 3.3Å; T164-L168 VanDerWaalsContact O-CB 3.31Å; T164-L168 WeakPolarHBondContact O-CB 3.45Å; T164-L168 PolarHBondContact O-N 3.39Å |
| 165 | F | 90.8 | Very high | 87.3 | Confident | 62 Ų | 62 | 54 Ų | 54 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 178.5 | -78.3 | -55.2 | 0 | 0 | 0 | 113.3 | T97 A100 E161 A162 L168 N169 | T97-F165 HydrophobicContact CG2-CD1 4.49Å; A100-F165 HydrophobicContact CB-CB 4.48Å; A100-F165 HydrophobicContact CB-CD1 4.29Å; A100-F165 HydrophobicContact CB-CD2 4.2Å; A100-F165 HydrophobicContact CB-CG 4.09Å; E161-F165 HydrophobicContact CG-CD2 4.16Å; E161-F165 HydrophobicContact CG-CE2 3.7Å; E161-F165 WeakPolarHBondContact O-CD2 3.44Å; E161-F165 PolarHBondContact O-N 3.36Å; E161-F165 WeakPolarHBondContact OE1-CE2 3.42Å; A162-F165 PolarHBondContact O-N 2.94Å; F165-L168 PolarHBondContact O-N 3.2Å; F165-N169 WeakPolarHBondContact O-CB 3.23Å; F165-N169 PolarHBondContact O-N 2.59Å |
| 166 | I | 91.9 | Very high | 88 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.6 | -36.5 | 178.3 | -171.6 | 62.6 | 0 | 0 | 0 | 112.2 | L105 F110 L113 R114 A162 Y163 T164 L168 N169 D170 | L105-I166 HydrophobicContact CD1-CB 3.77Å; L105-I166 HydrophobicContact CD1-CG1 4.2Å; L105-I166 HydrophobicContact CD1-CG2 3.67Å; F110-I166 HydrophobicContact CD2-CD1 3.61Å; F110-I166 HydrophobicContact CD2-CG1 4.44Å; F110-I166 HydrophobicContact CE2-CD1 3.44Å; F110-I166 VanDerWaalsContact CE2-CD1 3.44Å; F110-I166 HydrophobicContact CG-CD1 4.38Å; F110-I166 HydrophobicContact CZ-CD1 4.09Å; L113-I166 HydrophobicContact CB-CG1 3.95Å; L113-I166 HydrophobicContact CB-CG2 3.99Å; L113-I166 HydrophobicContact CD1-CG2 3.41Å; L113-I166 VanDerWaalsContact CD1-CG2 3.41Å; L113-I166 HydrophobicContact CG-CG2 4.31Å; R114-I166 HydrophobicContact CG-CD1 3.94Å; A162-I166 WeakPolarHBondContact O-CG2 3.44Å; A162-I166 PolarHBondContact O-N 2.87Å; A162-I166 VanDerWaalsContact O-N 3.11Å; Y163-I166 WeakPolarHBondContact O-CG2 3.47Å; T164-I166 PolarHBondContact O-N 3.06Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 2.83Å; I166-N169 HydrophobicContact CD1-CB 4.2Å; I166-N169 VanDerWaalsContact O-CB 3.27Å; I166-N169 WeakPolarHBondContact O-CB 3.18Å; I166-N169 PolarHBondContact O-N 3.08Å; I166-D170 WeakPolarHBondContact O-CB 3.2Å; I166-D170 PolarHBondContact O-N 3.09Å |
| 167 | L | 93.7 | Very high | 89.2 | Confident | 64 Ų | 64 | 45 Ų | 45 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.3 | -35.1 | 174.2 | -70 | 175.3 | 0 | 0 | 0 | 111.8 | F116 M120 Y163 T164 D170 A171 | F116-L167 HydrophobicContact CB-CD2 4.12Å; F116-L167 HydrophobicContact CD2-CD2 4.47Å; F116-L167 HydrophobicContact CG-CD2 4.2Å; M120-L167 HydrophobicContact CE-CB 4.49Å; M120-L167 HydrophobicContact CE-CD2 4.21Å; Y163-L167 WeakPolarHBondContact O-CB 3.33Å; Y163-L167 VanDerWaalsContact O-CG 3.29Å; Y163-L167 WeakPolarHBondContact O-CG 3.47Å; Y163-L167 PolarHBondContact O-N 3.42Å; T164-L167 PolarHBondContact O-N 3.3Å; L167-D170 WeakPolarHBondContact O-CB 3.44Å; L167-D170 PolarHBondContact O-N 3.37Å; L167-A171 PolarHBondContact O-N 3.43Å |
| 168 | L | 94.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 41.6 Ų | 41.6 | 40% | 0.398 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 171.3 | -173.8 | 61.6 | 0 | 0 | 0 | 111.5 | T97 T164 F165 I166 D170 A171 F172 | T97-L168 HydrophobicContact CG2-CB 4.35Å; T97-L168 HydrophobicContact CG2-CD2 3.71Å; T97-L168 HydrophobicContact CG2-CG 3.93Å; T164-L168 VanDerWaalsContact O-CB 3.31Å; T164-L168 WeakPolarHBondContact O-CB 3.45Å; T164-L168 PolarHBondContact O-N 3.39Å; F165-L168 PolarHBondContact O-N 3.2Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 2.83Å; L168-D170 VanDerWaalsContact C-N 3.33Å; L168-D170 PolarHBondContact O-N 2.84Å; L168-A171 PolarHBondContact O-N 3.39Å; L168-F172 HydrophobicContact CD1-CD2 4.38Å; L168-F172 HydrophobicContact CD1-CE2 3.84Å; L168-F172 HydrophobicContact CD1-CZ 4.14Å; L168-F172 HydrophobicContact CD2-CE2 4.02Å; L168-F172 HydrophobicContact CG-CD2 4.04Å; L168-F172 HydrophobicContact CG-CE2 3.58Å; L168-F172 HydrophobicContact CG-CZ 4.34Å; L168-F172 WeakPolarHBondContact O-CD2 3.32Å; L168-F172 PolarHBondContact O-N 2.92Å |
| 169 | N | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 172.4 | -175.9 | -113.2 | 0 | 0 | 0 | 111.9 | N94 T97 G98 R114 F165 I166 A171 F172 T173 | N94-N169 PolarHBondContact O-ND2 3.39Å; N94-N169 PolarHBondContact OD1-ND2 3.47Å; T97-N169 VanDerWaalsContact OG1-CA 3.3Å; T97-N169 WeakPolarHBondContact OG1-CA 3.45Å; T97-N169 WeakPolarHBondContact OG1-CB 3.3Å; T97-N169 PolarHBondContact OG1-ND2 2.91Å; T97-N169 VanDerWaalsContact OG1-ND2 3.13Å; G98-N169 WeakPolarHBondContact CA-ND2 3.3Å; G98-N169 PolarHBondContact N-ND2 2.91Å; R114-N169 PolarHBondContact NE-OD1 2.88Å; R114-N169 PolarHBondContact NH2-OD1 3.33Å; F165-N169 WeakPolarHBondContact O-CB 3.23Å; F165-N169 PolarHBondContact O-N 2.59Å; I166-N169 HydrophobicContact CD1-CB 4.2Å; I166-N169 VanDerWaalsContact O-CB 3.27Å; I166-N169 WeakPolarHBondContact O-CB 3.18Å; I166-N169 PolarHBondContact O-N 3.08Å; N169-A171 VanDerWaalsContact C-N 3.33Å; N169-A171 PolarHBondContact O-N 3.33Å; N169-F172 PolarHBondContact O-N 2.7Å; N169-T173 WeakPolarHBondContact O-CB 3.38Å; N169-T173 PolarHBondContact O-N 3.04Å; N169-T173 PolarHBondContact O-OG1 3.39Å |
| 170 | D | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.3 | -83.9 | 26 | 0 | 0 | 0 | 111.5 | R114 T117 M120 I166 L167 L168 T173 A174 | R114-D170 VanDerWaalsContact CA-OD2 3.28Å; R114-D170 WeakPolarHBondContact CA-OD2 3.36Å; T117-D170 PolarHBondContact N-OD2 3.38Å; T117-D170 WeakPolarHBondContact OG1-CA 3.23Å; T117-D170 VanDerWaalsContact OG1-CB 3.25Å; T117-D170 WeakPolarHBondContact OG1-CB 3.21Å; T117-D170 PolarHBondContact OG1-OD1 3Å; T117-D170 PolarHBondContact OG1-OD2 2.68Å; M120-D170 HydrophobicContact CE-CB 4.19Å; M120-D170 HydrophobicContact SD-CB 3.79Å; I166-D170 WeakPolarHBondContact O-CB 3.2Å; I166-D170 PolarHBondContact O-N 3.09Å; L167-D170 WeakPolarHBondContact O-CB 3.44Å; L167-D170 PolarHBondContact O-N 3.37Å; L168-D170 VanDerWaalsContact C-N 3.33Å; L168-D170 PolarHBondContact O-N 2.84Å; D170-T173 PolarHBondContact O-N 3.5Å; D170-A174 WeakPolarHBondContact O-CB 3.42Å; D170-A174 PolarHBondContact O-N 3.06Å |
| 171 | A | 95.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M120 L167 L168 N169 T173 A174 A175 | M120-A171 HydrophobicContact SD-CB 3.92Å; M120-A171 PolarHBondContact SD-N 2.94Å; M120-A171 VanDerWaalsContact SD-N 3.4Å; L167-A171 PolarHBondContact O-N 3.43Å; L168-A171 PolarHBondContact O-N 3.39Å; N169-A171 VanDerWaalsContact C-N 3.33Å; N169-A171 PolarHBondContact O-N 3.33Å; A171-T173 VanDerWaalsContact C-N 3.34Å; A171-T173 PolarHBondContact O-N 3.18Å; A171-A174 PolarHBondContact O-N 2.96Å; A171-A175 VanDerWaalsContact O-CB 3.25Å; A171-A175 WeakPolarHBondContact O-CB 3.23Å; A171-A175 PolarHBondContact O-N 2.96Å |
| 172 | F | 93.1 | Very high | 90.7 | Very high | 53 Ų | 53 | 33.8 Ų | 33.8 | 23% | 0.232 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 174.9 | -71.6 | -52.3 | 0 | 0 | 0 | 112.6 | L90 G93 N94 T97 L168 N169 A175 S176 | L90-F172 HydrophobicContact CD2-CD1 3.93Å; L90-F172 HydrophobicContact CD2-CE1 4.4Å; G93-F172 VanDerWaalsContact C-CD2 3.4Å; N94-F172 HydrophobicContact CB-CB 3.9Å; T97-F172 HydrophobicContact CG2-CD2 4.09Å; T97-F172 HydrophobicContact CG2-CE2 3.89Å; L168-F172 HydrophobicContact CD1-CD2 4.38Å; L168-F172 HydrophobicContact CD1-CE2 3.84Å; L168-F172 HydrophobicContact CD1-CZ 4.14Å; L168-F172 HydrophobicContact CD2-CE2 4.02Å; L168-F172 HydrophobicContact CG-CD2 4.04Å; L168-F172 HydrophobicContact CG-CE2 3.58Å; L168-F172 HydrophobicContact CG-CZ 4.34Å; L168-F172 WeakPolarHBondContact O-CD2 3.32Å; L168-F172 PolarHBondContact O-N 2.92Å; N169-F172 PolarHBondContact O-N 2.7Å; F172-A175 PolarHBondContact O-N 3.24Å; F172-S176 WeakPolarHBondContact O-CB 3.44Å; F172-S176 PolarHBondContact O-N 3.09Å; F172-S176 PolarHBondContact O-OG 3.46Å |
| 173 | T | 91.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 26% | 0.258 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66 | -48.4 | 176 | -61.4 | 0 | 0 | 0 | 0 | 111 | N94 T117 N169 D170 A171 A175 S176 G177 | N94-T173 PolarHBondContact OD1-OG1 3.19Å; T117-T173 HydrophobicContact CG2-CG2 3.89Å; N169-T173 WeakPolarHBondContact O-CB 3.38Å; N169-T173 PolarHBondContact O-N 3.04Å; N169-T173 PolarHBondContact O-OG1 3.39Å; D170-T173 PolarHBondContact O-N 3.5Å; A171-T173 VanDerWaalsContact C-N 3.34Å; A171-T173 PolarHBondContact O-N 3.18Å; T173-A175 VanDerWaalsContact C-N 3.34Å; T173-A175 PolarHBondContact O-N 2.9Å; T173-S176 PolarHBondContact O-N 3.45Å; T173-S176 PolarHBondContact O-OG 3.37Å; T173-G177 PolarHBondContact O-N 3.03Å |
| 174 | A | 93.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T117 M120 T121 D170 A171 G177 V178 | T117-A174 HydrophobicContact CG2-CB 4.21Å; M120-A174 HydrophobicContact CB-CB 3.76Å; T121-A174 WeakPolarHBondContact OG1-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.42Å; D170-A174 PolarHBondContact O-N 3.06Å; A171-A174 PolarHBondContact O-N 2.96Å; A174-G177 PolarHBondContact O-N 3.15Å; A174-V178 WeakPolarHBondContact O-CG2 3.43Å; A174-V178 PolarHBondContact O-N 2.76Å |
| 175 | A | 93.3 | Very high | 89 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -52.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L90 L124 A171 F172 T173 G177 V178 Y179 | L90-A175 HydrophobicContact CD1-CB 3.88Å; L90-A175 HydrophobicContact CD2-CB 3.88Å; L90-A175 HydrophobicContact CG-CB 4.46Å; L124-A175 HydrophobicContact CD2-CB 3.97Å; A171-A175 VanDerWaalsContact O-CB 3.25Å; A171-A175 WeakPolarHBondContact O-CB 3.23Å; A171-A175 PolarHBondContact O-N 2.96Å; F172-A175 PolarHBondContact O-N 3.24Å; T173-A175 VanDerWaalsContact C-N 3.34Å; T173-A175 PolarHBondContact O-N 2.9Å; A175-G177 VanDerWaalsContact C-N 3.28Å; A175-G177 PolarHBondContact O-N 3.35Å; A175-V178 PolarHBondContact O-N 3.19Å; A175-Y179 HydrophobicContact CB-CD2 4.43Å; A175-Y179 WeakPolarHBondContact O-CB 2.95Å; A175-Y179 VanDerWaalsContact O-CD2 3.26Å; A175-Y179 WeakPolarHBondContact O-CD2 3.43Å; A175-Y179 PolarHBondContact O-N 3.04Å |
| 176 | S | 89.3 | Confident | 88 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -39.8 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | F172 T173 T180 | F172-S176 WeakPolarHBondContact O-CB 3.44Å; F172-S176 PolarHBondContact O-N 3.09Å; F172-S176 PolarHBondContact O-OG 3.46Å; T173-S176 PolarHBondContact O-N 3.45Å; T173-S176 PolarHBondContact O-OG 3.37Å; S176-T180 WeakPolarHBondContact O-CB 3.49Å; S176-T180 PolarHBondContact O-N 3.4Å; S176-T180 PolarHBondContact O-OG1 3.4Å |
| 177 | G | 87.9 | Confident | 86.5 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.7 | -49.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T173 A174 A175 T180 K181 | T173-G177 PolarHBondContact O-N 3.03Å; A174-G177 PolarHBondContact O-N 3.15Å; A175-G177 VanDerWaalsContact C-N 3.28Å; A175-G177 PolarHBondContact O-N 3.35Å; G177-T180 WeakPolarHBondContact O-CB 3.35Å; G177-T180 PolarHBondContact O-N 3.44Å; G177-K181 PolarHBondContact O-N 3.47Å |
| 178 | V | 90.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -41.8 | -178.6 | 176.6 | 0 | 0 | 0 | 0 | 112 | T121 L124 E125 L128 L129 A174 A175 T180 K181 K182 A257 | T121-V178 HydrophobicContact CG2-CG2 3.88Å; L124-V178 HydrophobicContact CB-CG2 4.17Å; L124-V178 HydrophobicContact CD2-CB 3.83Å; L124-V178 HydrophobicContact CD2-CG1 4.26Å; L124-V178 HydrophobicContact CD2-CG2 4Å; L124-V178 HydrophobicContact CG-CB 4.19Å; L124-V178 HydrophobicContact CG-CG1 4.12Å; L124-V178 HydrophobicContact CG-CG2 4.24Å; E125-V178 HydrophobicContact CG-CG1 4.34Å; E125-V178 HydrophobicContact CG-CG2 3.8Å; L128-V178 HydrophobicContact CB-CG1 4.29Å; L128-V178 HydrophobicContact CD1-CG1 4.17Å; L129-V178 HydrophobicContact CD1-CG1 3.39Å; A174-V178 WeakPolarHBondContact O-CG2 3.43Å; A174-V178 PolarHBondContact O-N 2.76Å; A175-V178 PolarHBondContact O-N 3.19Å; V178-T180 VanDerWaalsContact C-N 3.31Å; V178-T180 PolarHBondContact O-N 3.2Å; V178-K181 PolarHBondContact O-N 3.07Å; V178-K182 PolarHBondContact O-N 3.17Å; V178-A257 HydrophobicContact CG2-CB 4.18Å |
| 179 | Y | 88.5 | Confident | 83.8 | Confident | 61 Ų | 61 | 39 Ų | 39 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 174.2 | -85.6 | -78.7 | 0 | 0 | 0 | 111.6 | P86 L90 L128 A175 K182 K183 | P86-Y179 HydrophobicContact CG-CD1 4.14Å; P86-Y179 HydrophobicContact CG-CE1 3.92Å; P86-Y179 HydrophobicContact CG-CE2 4.33Å; P86-Y179 HydrophobicContact CG-CG 4.44Å; L90-Y179 HydrophobicContact CD1-CD2 3.57Å; L90-Y179 HydrophobicContact CD1-CE2 4.15Å; L90-Y179 HydrophobicContact CD1-CG 4.2Å; L128-Y179 HydrophobicContact CD1-CD2 4.18Å; L128-Y179 HydrophobicContact CD1-CE1 4.33Å; L128-Y179 HydrophobicContact CD1-CE2 3.64Å; A175-Y179 HydrophobicContact CB-CD2 4.43Å; A175-Y179 WeakPolarHBondContact O-CB 2.95Å; A175-Y179 VanDerWaalsContact O-CD2 3.26Å; A175-Y179 WeakPolarHBondContact O-CD2 3.43Å; A175-Y179 PolarHBondContact O-N 3.04Å; Y179-K182 WeakPolarHBondContact O-CB 3.44Å; Y179-K182 PolarHBondContact O-N 2.95Å; Y179-K183 WeakPolarHBondContact O-CG 3.39Å; Y179-K183 PolarHBondContact O-N 3.29Å |
| 180 | T | 85.4 | Confident | 82.7 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -51.5 | 172.9 | -65.6 | 0 | 0 | 0 | 0 | 109.8 | S176 G177 V178 K182 K183 L184 V194 | S176-T180 WeakPolarHBondContact O-CB 3.49Å; S176-T180 PolarHBondContact O-N 3.4Å; S176-T180 PolarHBondContact O-OG1 3.4Å; G177-T180 WeakPolarHBondContact O-CB 3.35Å; G177-T180 PolarHBondContact O-N 3.44Å; V178-T180 VanDerWaalsContact C-N 3.31Å; V178-T180 PolarHBondContact O-N 3.2Å; T180-K182 VanDerWaalsContact C-N 3.31Å; T180-K182 PolarHBondContact O-N 3.02Å; T180-K183 CarbonylContact O-C 3.51Å; T180-K183 PolarHBondContact O-N 3.47Å; T180-L184 HydrophobicContact CG2-CD1 3.54Å; T180-L184 WeakPolarHBondContact O-CD1 3.34Å; T180-L184 PolarHBondContact O-N 3.16Å; T180-V194 HydrophobicContact CG2-CG1 3.85Å |
| 181 | K | 85.9 | Confident | 81.8 | Confident | 42 Ų | 42 | 43.2 Ų | 43.2 | 18% | 0.183 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.2 | -44.4 | 175.8 | 176.8 | 68.1 | -173.4 | -178.5 | 0 | 112.5 | L129 G177 V178 K183 L184 G185 S252 Y253 N255 A257 | L129-K181 HydrophobicContact CD2-CG 3.84Å; G177-K181 PolarHBondContact O-N 3.47Å; V178-K181 PolarHBondContact O-N 3.07Å; K181-K183 VanDerWaalsContact C-N 3.3Å; K181-K183 PolarHBondContact O-N 2.68Å; K181-L184 PolarHBondContact O-N 3.42Å; K181-G185 PolarHBondContact O-N 3.06Å; K181-S252 WeakPolarHBondContact CD-O 3.45Å; K181-S252 VanDerWaalsContact CE-O 3.3Å; K181-S252 WeakPolarHBondContact CE-O 3.46Å; K181-S252 PolarHBondContact NZ-O 3.12Å; K181-Y253 PolarHBondContact NZ-O 3.05Å; K181-N255 WeakPolarHBondContact CE-O 3.26Å; K181-N255 PolarHBondContact NZ-O 3.01Å; K181-A257 HydrophobicContact CB-CB 4.06Å |
| 182 | K | 85.5 | Confident | 81.1 | Confident | 101 Ų | 101 | 44.2 Ų | 44.2 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.1 | -41.6 | 177 | -173 | 171.6 | -179.7 | 169.7 | 0 | 111.7 | L129 V178 Y179 T180 G185 D186 | L129-K182 HydrophobicContact CD1-CB 4.17Å; V178-K182 PolarHBondContact O-N 3.17Å; Y179-K182 WeakPolarHBondContact O-CB 3.44Å; Y179-K182 PolarHBondContact O-N 2.95Å; T180-K182 VanDerWaalsContact C-N 3.31Å; T180-K182 PolarHBondContact O-N 3.02Å; K182-G185 PolarHBondContact O-N 2.92Å; K182-D186 PolarHBondContact O-N 2.95Å |
| 183 | K | 82.9 | Confident | 80.2 | Confident | 37 Ų | 37 | 41.7 Ų | 41.7 | 16% | 0.161 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.8 | -25.3 | 178 | -65.1 | -68.9 | 173.4 | 177.3 | 0 | 113.8 | K83 L87 Y179 T180 K181 G185 V194 | K83-K183 WeakPolarHBondContact O-CD 3.29Å; K83-K183 WeakPolarHBondContact O-CE 3.43Å; K83-K183 PolarHBondContact O-NZ 3.46Å; L87-K183 HydrophobicContact CD1-CG 4.29Å; Y179-K183 WeakPolarHBondContact O-CG 3.39Å; Y179-K183 PolarHBondContact O-N 3.29Å; T180-K183 CarbonylContact O-C 3.51Å; T180-K183 PolarHBondContact O-N 3.47Å; K181-K183 VanDerWaalsContact C-N 3.3Å; K181-K183 PolarHBondContact O-N 2.68Å; K183-G185 VanDerWaalsContact C-N 3.33Å; K183-V194 HydrophobicContact CB-CG2 4.42Å |
| 184 | L | 79.3 | Confident | 79.6 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.3 | -32.8 | 169.3 | -89.9 | 89.7 | 0 | 0 | 0 | 112.5 | T180 K181 V194 V249 Y253 | T180-L184 HydrophobicContact CG2-CD1 3.54Å; T180-L184 WeakPolarHBondContact O-CD1 3.34Å; T180-L184 PolarHBondContact O-N 3.16Å; K181-L184 PolarHBondContact O-N 3.42Å; L184-V194 HydrophobicContact CD1-CB 4.09Å; L184-V194 HydrophobicContact CD1-CG1 3.68Å; L184-V194 HydrophobicContact CD1-CG2 4.07Å; L184-V194 HydrophobicContact CG-CG2 4.27Å; L184-V249 HydrophobicContact CD2-CG1 3.86Å; L184-V249 WeakPolarHBondContact CD2-O 3.33Å; L184-Y253 HydrophobicContact CD2-CD2 3.96Å; L184-Y253 HydrophobicContact CD2-CG 4.31Å |
| 185 | G | 69.7 | Low | 79 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 66% | 0.66 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -76.7 | -24.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K181 K182 K183 Q187 | K181-G185 PolarHBondContact O-N 3.06Å; K182-G185 PolarHBondContact O-N 2.92Å; K183-G185 VanDerWaalsContact C-N 3.33Å; G185-Q187 PolarHBondContact O-N 2.88Å |
| 186 | D | 69.7 | Low | 78.3 | Confident | 73 Ų | 73 | 40.2 Ų | 40.2 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -74.8 | 112 | 171.5 | -168.5 | -24.9 | 0 | 0 | 0 | 108.6 | K182 S188 | K182-D186 PolarHBondContact O-N 2.95Å; D186-S188 VanDerWaalsContact CG-OG 3.27Å; D186-S188 PolarHBondContact O-N 3.46Å; D186-S188 WeakPolarHBondContact OD1-CB 3.46Å; D186-S188 PolarHBondContact OD1-N 2.82Å; D186-S188 PolarHBondContact OD1-OG 3.48Å |
| 187 | Q | 59.6 | Low | 77.9 | Confident | 193 Ų | 193 | 40.2 Ų | 40.2 | 90% | 0.902 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -10.7 | -174.4 | -69.7 | -161.6 | 7.4 | 0 | 0 | 113.7 | G185 L189 | G185-Q187 PolarHBondContact O-N 2.88Å; Q187-L189 PolarHBondContact O-N 3.5Å |
| 188 | S | 63.4 | Low | 77.5 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22.4 | -174.8 | 62.2 | 0 | 0 | 0 | 0 | 115.8 | P74 D186 | P74-S188 VanDerWaalsContact CG-O 3.26Å; P74-S188 WeakPolarHBondContact CG-O 3.28Å; D186-S188 VanDerWaalsContact CG-OG 3.27Å; D186-S188 PolarHBondContact O-N 3.46Å; D186-S188 WeakPolarHBondContact OD1-CB 3.46Å; D186-S188 PolarHBondContact OD1-N 2.82Å; D186-S188 PolarHBondContact OD1-OG 3.48Å |
| 189 | L | 68.2 | Low | 77.1 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -35.6 | 178.1 | -98.2 | 79.5 | 0 | 0 | 0 | 114 | P74 K83 I84 Q187 G193 V194 Y197 | P74-L189 WeakPolarHBondContact CD-O 3.49Å; K83-L189 HydrophobicContact CB-CD1 3.96Å; K83-L189 HydrophobicContact CD-CD1 3.98Å; I84-L189 HydrophobicContact CG1-CD2 3.93Å; Q187-L189 PolarHBondContact O-N 3.5Å; L189-G193 WeakPolarHBondContact O-CA 3.4Å; L189-G193 PolarHBondContact O-N 3.46Å; L189-V194 HydrophobicContact CB-CG2 3.97Å; L189-V194 HydrophobicContact CD2-CG2 4.08Å; L189-Y197 HydrophobicContact CD2-CD2 4.22Å |
| 190 | G | 70.8 | Confident | 76.8 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | 65.3 | 168 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y192 G193 V194 | G190-Y192 VanDerWaalsContact C-N 3.35Å; G190-Y192 PolarHBondContact O-N 3.35Å; G190-G193 PolarHBondContact O-N 3.39Å; G190-V194 WeakPolarHBondContact O-CG2 3.45Å; G190-V194 PolarHBondContact O-N 2.95Å; G190-V194 VanDerWaalsContact O-N 3.07Å |
| 191 | K | 75.6 | Confident | 76.5 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 26% | 0.261 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.4 | -41.1 | -175.7 | 65.9 | -170.1 | -177.7 | -177.1 | 0 | 113.8 | L195 V249 | K191-L195 WeakPolarHBondContact O-CB 3.34Å; K191-L195 PolarHBondContact O-N 2.83Å; K191-V249 HydrophobicContact CB-CG1 4.31Å |
| 192 | Y | 78.8 | Confident | 76.1 | Confident | 59 Ų | 59 | 39.7 Ų | 39.7 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.8 | -33 | -177.9 | -58.9 | -73.5 | 0 | 0 | 0 | 112.7 | L62 V71 G190 L195 F196 Y246 | L62-Y192 HydrophobicContact CD2-CD1 3.91Å; V71-Y192 HydrophobicContact CG1-CD1 3.75Å; V71-Y192 HydrophobicContact CG1-CD2 3.3Å; V71-Y192 HydrophobicContact CG1-CE1 4.22Å; V71-Y192 HydrophobicContact CG1-CE2 3.8Å; V71-Y192 HydrophobicContact CG1-CG 3.25Å; V71-Y192 HydrophobicContact CG2-CD1 4.35Å; V71-Y192 HydrophobicContact CG2-CE1 4.1Å; V71-Y192 HydrophobicContact CG2-CE2 4.31Å; G190-Y192 VanDerWaalsContact C-N 3.35Å; G190-Y192 PolarHBondContact O-N 3.35Å; Y192-L195 PolarHBondContact O-N 3.46Å; Y192-F196 WeakPolarHBondContact O-CB 3.34Å; Y192-F196 PolarHBondContact O-N 3.42Å; Y192-Y246 AromaticContact CE1-CE2 3.87Å; Y192-Y246 HydrophobicContact CE1-CE2 3.87Å |
| 193 | G | 76.1 | Confident | 76 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -49 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L189 G190 L195 F196 Y197 | L189-G193 WeakPolarHBondContact O-CA 3.4Å; L189-G193 PolarHBondContact O-N 3.46Å; G190-G193 PolarHBondContact O-N 3.39Å; G193-L195 VanDerWaalsContact C-N 3.27Å; G193-L195 PolarHBondContact O-N 3.41Å; G193-F196 PolarHBondContact O-N 2.99Å; G193-Y197 WeakPolarHBondContact O-CB 3.3Å; G193-Y197 WeakPolarHBondContact O-CD2 3.36Å; G193-Y197 PolarHBondContact O-N 3.19Å |
| 194 | V | 77.6 | Confident | 76 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.6 | -44.1 | 175.7 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | T180 K183 L184 L189 G190 N198 | T180-V194 HydrophobicContact CG2-CG1 3.85Å; K183-V194 HydrophobicContact CB-CG2 4.42Å; L184-V194 HydrophobicContact CD1-CB 4.09Å; L184-V194 HydrophobicContact CD1-CG1 3.68Å; L184-V194 HydrophobicContact CD1-CG2 4.07Å; L184-V194 HydrophobicContact CG-CG2 4.27Å; L189-V194 HydrophobicContact CB-CG2 3.97Å; L189-V194 HydrophobicContact CD2-CG2 4.08Å; G190-V194 WeakPolarHBondContact O-CG2 3.45Å; G190-V194 PolarHBondContact O-N 2.95Å; G190-V194 VanDerWaalsContact O-N 3.07Å; V194-N198 WeakPolarHBondContact O-CB 3.49Å; V194-N198 PolarHBondContact O-N 2.88Å |
| 195 | L | 80.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -50 | 177.8 | -174.9 | 61.8 | 0 | 0 | 0 | 112.4 | T58 L62 K191 Y192 G193 S199 F242 M245 Y246 V249 | T58-L195 HydrophobicContact CG2-CD1 4.21Å; T58-L195 HydrophobicContact CG2-CD2 4.44Å; T58-L195 HydrophobicContact CG2-CG 4.01Å; L62-L195 HydrophobicContact CD1-CB 4.09Å; L62-L195 HydrophobicContact CD1-CD2 3.81Å; L62-L195 HydrophobicContact CD1-CG 3.75Å; L62-L195 HydrophobicContact CD2-CD2 4.3Å; L62-L195 HydrophobicContact CG-CD2 4.49Å; K191-L195 WeakPolarHBondContact O-CB 3.34Å; K191-L195 PolarHBondContact O-N 2.83Å; Y192-L195 PolarHBondContact O-N 3.46Å; G193-L195 VanDerWaalsContact C-N 3.27Å; G193-L195 PolarHBondContact O-N 3.41Å; L195-S199 PolarHBondContact O-N 3.42Å; L195-S199 VanDerWaalsContact O-N 3.11Å; L195-S199 PolarHBondContact O-OG 3.39Å; L195-F242 HydrophobicContact CD2-CE2 4.15Å; L195-M245 HydrophobicContact CD1-CB 3.87Å; L195-M245 HydrophobicContact CD1-CE 4.4Å; L195-M245 HydrophobicContact CD1-CG 3.2Å; L195-Y246 HydrophobicContact CD2-CD2 4.02Å; L195-V249 HydrophobicContact CB-CG2 4.46Å; L195-V249 HydrophobicContact CD1-CG2 3.92Å |
| 196 | F | 80.5 | Confident | 76.4 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -52.2 | -179.1 | -179 | -95.5 | 0 | 0 | 0 | 112.2 | I59 L62 F73 Y192 G193 N198 S199 L200 | I59-F196 HydrophobicContact CB-CE2 4.47Å; I59-F196 HydrophobicContact CG2-CE2 3.78Å; I59-F196 HydrophobicContact CG2-CZ 4.34Å; L62-F196 HydrophobicContact CB-CD2 4.18Å; L62-F196 HydrophobicContact CD1-CB 3.93Å; L62-F196 HydrophobicContact CD1-CD2 4.44Å; F73-F196 HydrophobicContact CE2-CB 4.29Å; F73-F196 AromaticContact CE2-CD1 3.93Å; F73-F196 HydrophobicContact CE2-CD1 3.93Å; F73-F196 HydrophobicContact CE2-CD2 4.21Å; F73-F196 HydrophobicContact CE2-CE1 4.31Å; F73-F196 AromaticContact CE2-CG 3.88Å; F73-F196 HydrophobicContact CE2-CG 3.88Å; F73-F196 HydrophobicContact CZ-CB 4.4Å; F73-F196 HydrophobicContact CZ-CD1 4.44Å; F73-F196 AromaticContact CZ-CD2 3.9Å; F73-F196 HydrophobicContact CZ-CD2 3.9Å; F73-F196 HydrophobicContact CZ-CE2 4.25Å; F73-F196 AromaticContact CZ-CG 4Å; F73-F196 HydrophobicContact CZ-CG 4Å; Y192-F196 WeakPolarHBondContact O-CB 3.34Å; Y192-F196 PolarHBondContact O-N 3.42Å; G193-F196 PolarHBondContact O-N 2.99Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 2.98Å; F196-S199 PolarHBondContact O-N 2.98Å; F196-L200 HydrophobicContact CE1-CD1 4.1Å; F196-L200 HydrophobicContact CZ-CD1 4.25Å; F196-L200 WeakPolarHBondContact O-CB 3.26Å; F196-L200 PolarHBondContact O-N 3.48Å |
| 197 | Y | 79.3 | Confident | 77.1 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.7 | -36.2 | -177.2 | -73.6 | -67.2 | 0 | 0 | 0 | 112.1 | P74 D75 F76 V80 I84 L189 G193 L200 I201 | P74-Y197 PolarHBondContact O-OH 3.43Å; D75-Y197 PolarHBondContact O-OH 3.38Å; F76-Y197 WeakPolarHBondContact CA-OH 3.46Å; F76-Y197 AromaticContact CD2-CE1 3.85Å; F76-Y197 HydrophobicContact CD2-CE1 3.85Å; F76-Y197 HydrophobicContact CE2-CE1 4.39Å; F76-Y197 PolarHBondContact N-OH 2.86Å; V80-Y197 HydrophobicContact CG1-CD1 4.08Å; V80-Y197 HydrophobicContact CG1-CD2 3.85Å; V80-Y197 HydrophobicContact CG1-CE1 3.67Å; V80-Y197 HydrophobicContact CG1-CE2 3.5Å; V80-Y197 VanDerWaalsContact CG1-CE2 3.5Å; V80-Y197 HydrophobicContact CG1-CG 4.19Å; I84-Y197 VanDerWaalsContact CD1-CB 3.47Å; I84-Y197 HydrophobicContact CD1-CD1 3.62Å; I84-Y197 HydrophobicContact CD1-CD2 4.07Å; I84-Y197 HydrophobicContact CD1-CE1 4.38Å; I84-Y197 HydrophobicContact CD1-CG 3.45Å; I84-Y197 VanDerWaalsContact CD1-CG 3.45Å; L189-Y197 HydrophobicContact CD2-CD2 4.22Å; G193-Y197 WeakPolarHBondContact O-CB 3.3Å; G193-Y197 WeakPolarHBondContact O-CD2 3.36Å; G193-Y197 PolarHBondContact O-N 3.19Å; Y197-L200 PolarHBondContact O-N 3.26Å; Y197-I201 WeakPolarHBondContact O-CB 3.36Å; Y197-I201 VanDerWaalsContact O-CD1 3.31Å; Y197-I201 WeakPolarHBondContact O-CD1 3.25Å; Y197-I201 VanDerWaalsContact O-CG1 3.31Å; Y197-I201 WeakPolarHBondContact O-CG1 3.23Å; Y197-I201 PolarHBondContact O-N 2.85Å |
| 198 | N | 80.5 | Confident | 78.2 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 175.5 | -167.5 | -3.7 | 0 | 0 | 0 | 111.4 | Y91 V194 F196 L200 I201 I202 M245 | Y91-N198 WeakPolarHBondContact CE2-OD1 3.31Å; Y91-N198 PolarHBondContact OH-ND2 3.32Å; Y91-N198 PolarHBondContact OH-OD1 2.86Å; V194-N198 WeakPolarHBondContact O-CB 3.49Å; V194-N198 PolarHBondContact O-N 2.88Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 2.98Å; N198-L200 VanDerWaalsContact C-N 3.32Å; N198-L200 PolarHBondContact O-N 2.86Å; N198-I201 PolarHBondContact O-N 3.48Å; N198-I202 WeakPolarHBondContact O-CG1 3.37Å; N198-I202 PolarHBondContact O-N 3.02Å; N198-I202 WeakPolarHBondContact OD1-CD1 3.22Å; N198-M245 HydrophobicContact CB-CE 4.27Å; N198-M245 WeakPolarHBondContact ND2-CE 3.42Å |
| 199 | S | 82 | Confident | 79 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 175.4 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | T58 L195 F196 I201 I202 V203 | T58-S199 VanDerWaalsContact CG2-OG 3.26Å; T58-S199 WeakPolarHBondContact CG2-OG 3.39Å; L195-S199 PolarHBondContact O-N 3.42Å; L195-S199 VanDerWaalsContact O-N 3.11Å; L195-S199 PolarHBondContact O-OG 3.39Å; F196-S199 PolarHBondContact O-N 2.98Å; S199-I201 VanDerWaalsContact C-N 3.31Å; S199-I201 PolarHBondContact O-N 2.95Å; S199-I202 PolarHBondContact O-N 3.4Å; S199-V203 WeakPolarHBondContact O-CB 3.38Å; S199-V203 PolarHBondContact O-N 2.85Å |
| 200 | L | 81.1 | Confident | 79.7 | Confident | 54 Ų | 54 | 32.1 Ų | 32.1 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.8 | -32.7 | 177.9 | -172.1 | 132.6 | 0 | 0 | 0 | 112.9 | I59 F196 Y197 N198 V203 | I59-L200 HydrophobicContact CD1-CB 4.41Å; F196-L200 HydrophobicContact CE1-CD1 4.1Å; F196-L200 HydrophobicContact CZ-CD1 4.25Å; F196-L200 WeakPolarHBondContact O-CB 3.26Å; F196-L200 PolarHBondContact O-N 3.48Å; Y197-L200 PolarHBondContact O-N 3.26Å; N198-L200 VanDerWaalsContact C-N 3.32Å; N198-L200 PolarHBondContact O-N 2.86Å; L200-V203 WeakPolarHBondContact O-CG1 3.45Å |
| 201 | I | 78.9 | Confident | 80.4 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 16% | 0.159 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -76.9 | -38 | 177.4 | -77.8 | 157.9 | 0 | 0 | 0 | 111.7 | I84 P88 Y197 N198 S199 P205 | I84-I201 HydrophobicContact CB-CD1 4.24Å; I84-I201 HydrophobicContact CD1-CD1 4.26Å; I84-I201 HydrophobicContact CG2-CD1 3.21Å; P88-I201 HydrophobicContact CB-CG2 3.54Å; P88-I201 HydrophobicContact CG-CD1 3.73Å; P88-I201 HydrophobicContact CG-CG1 4.11Å; P88-I201 HydrophobicContact CG-CG2 3.8Å; Y197-I201 WeakPolarHBondContact O-CB 3.36Å; Y197-I201 VanDerWaalsContact O-CD1 3.31Å; Y197-I201 WeakPolarHBondContact O-CD1 3.25Å; Y197-I201 VanDerWaalsContact O-CG1 3.31Å; Y197-I201 WeakPolarHBondContact O-CG1 3.23Å; Y197-I201 PolarHBondContact O-N 2.85Å; N198-I201 PolarHBondContact O-N 3.48Å; S199-I201 VanDerWaalsContact C-N 3.31Å; S199-I201 PolarHBondContact O-N 2.95Å; I201-P205 WeakPolarHBondContact O-CD 3.32Å; I201-P205 WeakPolarHBondContact O-CG 3.49Å |
| 202 | I | 78.5 | Confident | 80.7 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 17% | 0.169 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.3 | -32.6 | -179 | -60.8 | 171.7 | 0 | 0 | 0 | 111.2 | M55 Y91 N198 S199 L204 P205 T206 | M55-I202 HydrophobicContact CE-CG2 4.16Å; M55-I202 HydrophobicContact SD-CB 3.6Å; M55-I202 VanDerWaalsContact SD-CB 3.6Å; M55-I202 HydrophobicContact SD-CG2 3.34Å; M55-I202 WeakPolarHBondContact SD-CG2 3.39Å; Y91-I202 HydrophobicContact CD1-CD1 3.74Å; Y91-I202 HydrophobicContact CD1-CG1 3.97Å; Y91-I202 HydrophobicContact CD2-CD1 4.34Å; Y91-I202 HydrophobicContact CD2-CG1 4.13Å; Y91-I202 HydrophobicContact CE1-CD1 3.72Å; Y91-I202 HydrophobicContact CE1-CG1 4.4Å; Y91-I202 HydrophobicContact CE2-CD1 4.32Å; Y91-I202 HydrophobicContact CG-CD1 4.08Å; Y91-I202 HydrophobicContact CG-CG1 3.85Å; N198-I202 WeakPolarHBondContact O-CG1 3.37Å; N198-I202 PolarHBondContact O-N 3.02Å; N198-I202 WeakPolarHBondContact OD1-CD1 3.22Å; S199-I202 PolarHBondContact O-N 3.4Å; I202-L204 VanDerWaalsContact C-N 3.29Å; I202-L204 PolarHBondContact O-N 3.2Å; I202-P205 WeakPolarHBondContact O-CD 3.33Å; I202-P205 VanDerWaalsContact O-CG 3.29Å; I202-P205 WeakPolarHBondContact O-CG 3.38Å; I202-T206 WeakPolarHBondContact O-CB 3.48Å; I202-T206 PolarHBondContact O-N 2.93Å; I202-T206 VanDerWaalsContact O-N 3.15Å; I202-T206 PolarHBondContact O-OG1 3.31Å; I202-T206 VanDerWaalsContact O-OG1 3.06Å |
| 203 | V | 84.3 | Confident | 80.8 | Confident | 21 Ų | 21 | 40 Ų | 40 | 13% | 0.127 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -36.3 | -176 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | I52 M55 I56 I59 S199 L200 L207 | I52-V203 HydrophobicContact CG2-CG2 4.25Å; M55-V203 HydrophobicContact CB-CB 4.2Å; M55-V203 HydrophobicContact CB-CG2 4.24Å; M55-V203 HydrophobicContact CE-CB 4.27Å; M55-V203 HydrophobicContact CE-CG2 4.32Å; M55-V203 HydrophobicContact SD-CB 4.19Å; I56-V203 HydrophobicContact CG1-CG2 4.26Å; I59-V203 HydrophobicContact CD1-CG1 4.2Å; S199-V203 WeakPolarHBondContact O-CB 3.38Å; S199-V203 PolarHBondContact O-N 2.85Å; L200-V203 WeakPolarHBondContact O-CG1 3.45Å; V203-L207 WeakPolarHBondContact O-CB 3.25Å; V203-L207 PolarHBondContact O-N 3.5Å |
| 204 | L | 82 | Confident | 81.1 | Confident | 108 Ų | 108 | 41.3 Ų | 41.3 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.7 | -57.5 | 179.8 | -65.9 | 175.9 | 0 | 0 | 0 | 113.4 | I202 T206 L207 L208 | I202-L204 VanDerWaalsContact C-N 3.29Å; I202-L204 PolarHBondContact O-N 3.2Å; L204-T206 VanDerWaalsContact C-N 3.31Å; L204-T206 PolarHBondContact O-N 3.45Å; L204-L207 PolarHBondContact O-N 3.46Å; L204-L208 WeakPolarHBondContact O-CG 3.38Å; L204-L208 PolarHBondContact O-N 3.38Å |
| 205 | P | 78.1 | Confident | 81.3 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 20% | 0.201 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -35.4 | 178 | 24.6 | -33.2 | 0 | 0 | 0 | 112.2 | V92 I201 I202 L208 A209 | V92-P205 HydrophobicContact CG2-CB 4.24Å; V92-P205 HydrophobicContact CG2-CG 4.36Å; I201-P205 WeakPolarHBondContact O-CD 3.32Å; I201-P205 WeakPolarHBondContact O-CG 3.49Å; I202-P205 WeakPolarHBondContact O-CD 3.33Å; I202-P205 VanDerWaalsContact O-CG 3.29Å; I202-P205 WeakPolarHBondContact O-CG 3.38Å; P205-L208 PolarHBondContact O-N 3.21Å; P205-A209 VanDerWaalsContact O-CB 3.31Å; P205-A209 WeakPolarHBondContact O-CB 3.34Å; P205-A209 PolarHBondContact O-N 3.44Å |
| 206 | T | 79.7 | Confident | 81.5 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -37.8 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 112 | L48 I52 M55 H95 I202 L204 A209 S210 | L48-T206 HydrophobicContact CD2-CG2 4.25Å; I52-T206 HydrophobicContact CD1-CG2 4.32Å; I52-T206 HydrophobicContact CG1-CG2 3.8Å; M55-T206 HydrophobicContact CE-CG2 3.83Å; H95-T206 PolarHBondContact CD2-OG1 2.94Å; H95-T206 PolarHBondContact NE2-OG1 3.07Å; H95-T206 VanDerWaalsContact NE2-OG1 3.16Å; I202-T206 WeakPolarHBondContact O-CB 3.48Å; I202-T206 PolarHBondContact O-N 2.93Å; I202-T206 VanDerWaalsContact O-N 3.15Å; I202-T206 PolarHBondContact O-OG1 3.31Å; I202-T206 VanDerWaalsContact O-OG1 3.06Å; L204-T206 VanDerWaalsContact C-N 3.31Å; L204-T206 PolarHBondContact O-N 3.45Å; T206-A209 PolarHBondContact O-N 2.87Å; T206-S210 WeakPolarHBondContact O-CB 3.32Å; T206-S210 PolarHBondContact O-N 3.47Å |
| 207 | L | 84.8 | Confident | 81.9 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 38% | 0.377 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 173.6 | -178.9 | 64.8 | 0 | 0 | 0 | 111.2 | I52 V203 L204 A209 S210 V211 | I52-L207 HydrophobicContact CD1-CB 4.29Å; I52-L207 HydrophobicContact CD1-CD1 3.97Å; V203-L207 WeakPolarHBondContact O-CB 3.25Å; V203-L207 PolarHBondContact O-N 3.5Å; L204-L207 PolarHBondContact O-N 3.46Å; L207-A209 VanDerWaalsContact C-N 3.33Å; L207-A209 PolarHBondContact O-N 3.27Å; L207-S210 PolarHBondContact O-N 2.93Å; L207-V211 WeakPolarHBondContact O-CG2 3.36Å; L207-V211 PolarHBondContact O-N 2.89Å |
| 208 | L | 82.5 | Confident | 82.2 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 175 | -69.8 | 173 | 0 | 0 | 0 | 110.9 | L204 P205 S210 V211 F212 | L204-L208 WeakPolarHBondContact O-CG 3.38Å; L204-L208 PolarHBondContact O-N 3.38Å; P205-L208 PolarHBondContact O-N 3.21Å; L208-S210 VanDerWaalsContact C-N 3.32Å; L208-S210 PolarHBondContact O-N 3.49Å; L208-V211 PolarHBondContact O-N 3.2Å; L208-V211 VanDerWaalsContact O-N 3.17Å; L208-F212 HydrophobicContact CB-CD2 4.39Å; L208-F212 HydrophobicContact CB-CE2 4.26Å; L208-F212 WeakPolarHBondContact O-CD2 3.17Å; L208-F212 PolarHBondContact O-N 3.09Å |
| 209 | A | 79.2 | Confident | 82.5 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | P205 T206 L207 V211 F212 T213 | P205-A209 VanDerWaalsContact O-CB 3.31Å; P205-A209 WeakPolarHBondContact O-CB 3.34Å; P205-A209 PolarHBondContact O-N 3.44Å; T206-A209 PolarHBondContact O-N 2.87Å; L207-A209 VanDerWaalsContact C-N 3.33Å; L207-A209 PolarHBondContact O-N 3.27Å; A209-V211 VanDerWaalsContact C-N 3.31Å; A209-V211 PolarHBondContact O-N 3.03Å; A209-F212 PolarHBondContact O-N 3.47Å; A209-T213 WeakPolarHBondContact O-CB 3.4Å; A209-T213 PolarHBondContact O-N 3.22Å; A209-T213 PolarHBondContact O-OG1 2.86Å |
| 210 | S | 82.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -32.7 | 177.7 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | T206 L207 L208 D215 L216 | T206-S210 WeakPolarHBondContact O-CB 3.32Å; T206-S210 PolarHBondContact O-N 3.47Å; L207-S210 PolarHBondContact O-N 2.93Å; L208-S210 VanDerWaalsContact C-N 3.32Å; L208-S210 PolarHBondContact O-N 3.49Å; S210-D215 PolarHBondContact O-N 3.41Å; S210-D215 VanDerWaalsContact O-N 3.1Å; S210-L216 PolarHBondContact O-N 3.44Å; S210-L216 PolarHBondContact OG-N 3.48Å |
| 211 | V | 85.4 | Confident | 83.1 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.3 | -50.8 | 173 | 174 | 0 | 0 | 0 | 0 | 110.1 | L207 L208 A209 T213 G214 L216 | L207-V211 WeakPolarHBondContact O-CG2 3.36Å; L207-V211 PolarHBondContact O-N 2.89Å; L208-V211 PolarHBondContact O-N 3.2Å; L208-V211 VanDerWaalsContact O-N 3.17Å; A209-V211 VanDerWaalsContact C-N 3.31Å; A209-V211 PolarHBondContact O-N 3.03Å; V211-T213 VanDerWaalsContact C-N 3.32Å; V211-T213 PolarHBondContact O-N 2.82Å; V211-G214 PolarHBondContact O-N 3.49Å; V211-L216 HydrophobicContact CG2-CD2 3.58Å |
| 212 | F | 82.9 | Confident | 83.6 | Confident | 176 Ų | 176 | 59.8 Ų | 59.8 | 77% | 0.772 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.1 | -33.5 | -177.4 | -75.5 | -62.1 | 0 | 0 | 0 | 113.8 | L208 A209 G214 | L208-F212 HydrophobicContact CB-CD2 4.39Å; L208-F212 HydrophobicContact CB-CE2 4.26Å; L208-F212 WeakPolarHBondContact O-CD2 3.17Å; L208-F212 PolarHBondContact O-N 3.09Å; A209-F212 PolarHBondContact O-N 3.47Å; F212-G214 VanDerWaalsContact C-N 3.27Å |
| 213 | T | 79.8 | Confident | 84 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.7 | 176.5 | 44 | 0 | 0 | 0 | 0 | 113.4 | L48 A209 V211 D215 | L48-T213 WeakPolarHBondContact CD1-OG1 3.34Å; A209-T213 WeakPolarHBondContact O-CB 3.4Å; A209-T213 PolarHBondContact O-N 3.22Å; A209-T213 PolarHBondContact O-OG1 2.86Å; V211-T213 VanDerWaalsContact C-N 3.32Å; V211-T213 PolarHBondContact O-N 2.82Å; T213-D215 PolarHBondContact O-N 3.05Å |
| 214 | G | 82.5 | Confident | 84.1 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 72.6 | 2.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | V211 F212 L216 H217 K218 | V211-G214 PolarHBondContact O-N 3.49Å; F212-G214 VanDerWaalsContact C-N 3.27Å; G214-L216 VanDerWaalsContact C-N 3.26Å; G214-L216 PolarHBondContact O-N 3.31Å; G214-H217 PolarHBondContact O-N 3.17Å; G214-H217 VanDerWaalsContact O-N 3.14Å; G214-K218 PolarHBondContact O-N 2.95Å; G214-K218 VanDerWaalsContact O-N 3.13Å |
| 215 | D | 82.3 | Confident | 84.5 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 179.3 | -107.9 | 28.4 | 0 | 0 | 0 | 112 | S46 L48 S210 T213 H217 K218 A219 | S46-D215 WeakPolarHBondContact CB-O 3.49Å; S46-D215 VanDerWaalsContact OG-CB 3.25Å; S46-D215 WeakPolarHBondContact OG-CB 3.21Å; S46-D215 PolarHBondContact OG-OD2 3.31Å; L48-D215 HydrophobicContact CB-CB 4.46Å; L48-D215 HydrophobicContact CD1-CB 4.29Å; S210-D215 PolarHBondContact O-N 3.41Å; S210-D215 VanDerWaalsContact O-N 3.1Å; T213-D215 PolarHBondContact O-N 3.05Å; D215-H217 VanDerWaalsContact C-N 3.34Å; D215-H217 PolarHBondContact O-N 3.03Å; D215-K218 PolarHBondContact O-N 3.37Å; D215-A219 VanDerWaalsContact O-CB 3.29Å; D215-A219 WeakPolarHBondContact O-CB 3.41Å; D215-A219 PolarHBondContact O-N 3.2Å |
| 216 | L | 85.7 | Confident | 84.9 | Confident | 42 Ų | 42 | 77.2 Ų | 77.2 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 175.5 | -179.6 | 62.9 | 0 | 0 | 0 | 111.3 | F49 S210 V211 G214 A219 L220 | F49-L216 HydrophobicContact CD2-CD1 3.5Å; F49-L216 HydrophobicContact CE2-CD1 3.53Å; S210-L216 PolarHBondContact O-N 3.44Å; S210-L216 PolarHBondContact OG-N 3.48Å; V211-L216 HydrophobicContact CG2-CD2 3.58Å; G214-L216 VanDerWaalsContact C-N 3.26Å; G214-L216 PolarHBondContact O-N 3.31Å; L216-A219 PolarHBondContact O-N 3.41Å; L216-L220 HydrophobicContact CD1-CD1 4.28Å; L216-L220 HydrophobicContact CD1-CG 4.42Å; L216-L220 HydrophobicContact CG-CD1 4.15Å; L216-L220 VanDerWaalsContact O-CG 3.3Å; L216-L220 WeakPolarHBondContact O-CG 3.45Å; L216-L220 PolarHBondContact O-N 3.45Å |
| 217 | H | 87.6 | Confident | 85.4 | Confident | 141 Ų | 141 | 79.6 Ų | 79.6 | 65% | 0.653 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.8 | -45.3 | -179.8 | -173.5 | 63.4 | 0 | 0 | 0 | 111.1 | G214 D215 A219 L220 S221 | G214-H217 PolarHBondContact O-N 3.17Å; G214-H217 VanDerWaalsContact O-N 3.14Å; D215-H217 VanDerWaalsContact C-N 3.34Å; D215-H217 PolarHBondContact O-N 3.03Å; H217-A219 VanDerWaalsContact C-N 3.29Å; H217-A219 PolarHBondContact O-N 3.5Å; H217-L220 PolarHBondContact O-N 2.94Å; H217-S221 PolarHBondContact O-N 3.02Å; H217-S221 PolarHBondContact O-OG 3.29Å |
| 218 | K | 85.9 | Confident | 85.8 | Confident | 104 Ų | 104 | 81.1 Ų | 81.1 | 45% | 0.452 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 175.2 | -66.6 | 174.6 | -175.3 | 170 | 0 | 112.7 | P45 G214 D215 S221 | P45-K218 HydrophobicContact CB-CB 4.24Å; P45-K218 HydrophobicContact CG-CB 4.11Å; P45-K218 WeakPolarHBondContact CG-O 3.49Å; G214-K218 PolarHBondContact O-N 2.95Å; G214-K218 VanDerWaalsContact O-N 3.13Å; D215-K218 PolarHBondContact O-N 3.37Å; K218-S221 PolarHBondContact O-OG 3.29Å |
| 219 | A | 86.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F44 F49 D215 L216 H217 F222 W225 | F44-A219 HydrophobicContact CE2-CB 4.31Å; F44-A219 HydrophobicContact CZ-CB 3.74Å; F49-A219 HydrophobicContact CB-CB 3.61Å; F49-A219 HydrophobicContact CD1-CB 3.8Å; F49-A219 HydrophobicContact CD2-CB 3.76Å; F49-A219 HydrophobicContact CE1-CB 4.39Å; F49-A219 HydrophobicContact CE2-CB 4.36Å; F49-A219 HydrophobicContact CG-CB 3.43Å; F49-A219 VanDerWaalsContact CG-CB 3.43Å; D215-A219 VanDerWaalsContact O-CB 3.29Å; D215-A219 WeakPolarHBondContact O-CB 3.41Å; D215-A219 PolarHBondContact O-N 3.2Å; L216-A219 PolarHBondContact O-N 3.41Å; H217-A219 VanDerWaalsContact C-N 3.29Å; H217-A219 PolarHBondContact O-N 3.5Å; A219-F222 VanDerWaalsContact O-CB 3.25Å; A219-F222 WeakPolarHBondContact O-CB 3.25Å; A219-F222 PolarHBondContact O-N 2.96Å; A219-W225 PolarHBondContact O-NE1 3.06Å |
| 220 | L | 87.4 | Confident | 86.9 | Confident | 110 Ų | 110 | 79.2 Ų | 79.2 | 58% | 0.576 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.3 | -32.7 | -179.6 | -69.4 | 171.1 | 0 | 0 | 0 | 112.9 | L216 H217 F222 | L216-L220 HydrophobicContact CD1-CD1 4.28Å; L216-L220 HydrophobicContact CD1-CG 4.42Å; L216-L220 HydrophobicContact CG-CD1 4.15Å; L216-L220 VanDerWaalsContact O-CG 3.3Å; L216-L220 WeakPolarHBondContact O-CG 3.45Å; L216-L220 PolarHBondContact O-N 3.45Å; H217-L220 PolarHBondContact O-N 2.94Å; L220-F222 PolarHBondContact O-N 3.18Å |
| 221 | S | 88.9 | Confident | 87.4 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 53% | 0.531 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 7.8 | 177.8 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | H217 K218 | H217-S221 PolarHBondContact O-N 3.02Å; H217-S221 PolarHBondContact O-OG 3.29Å; K218-S221 PolarHBondContact O-OG 3.29Å |
| 222 | F | 89.7 | Confident | 87.7 | Confident | 28 Ų | 28 | 82.4 Ų | 82.4 | 12% | 0.123 | 41% | 0.413 | C | S | . | . | trans | -73.7 | 127.6 | -174.3 | -175 | -118 | 0 | 0 | 0 | 111.9 | F42 F44 P45 A219 L220 D224 F230 | F42-F222 WeakPolarHBondContact O-CZ 3.48Å; F44-F222 HydrophobicContact CD2-CB 4.48Å; F44-F222 AromaticContact CD2-CD1 3.56Å; F44-F222 HydrophobicContact CD2-CD1 3.56Å; F44-F222 HydrophobicContact CD2-CD2 4.31Å; F44-F222 AromaticContact CD2-CE1 3.71Å; F44-F222 HydrophobicContact CD2-CE1 3.71Å; F44-F222 HydrophobicContact CD2-CE2 4.48Å; F44-F222 AromaticContact CD2-CG 3.87Å; F44-F222 HydrophobicContact CD2-CG 3.87Å; F44-F222 HydrophobicContact CD2-CZ 4.21Å; F44-F222 HydrophobicContact CE2-CB 4.23Å; F44-F222 AromaticContact CE2-CD1 3.89Å; F44-F222 HydrophobicContact CE2-CD1 3.89Å; F44-F222 HydrophobicContact CE2-CE1 4.46Å; F44-F222 HydrophobicContact CE2-CG 4.09Å; P45-F222 VanDerWaalsContact CD-CD2 3.43Å; P45-F222 HydrophobicContact CG-CD2 4.1Å; A219-F222 VanDerWaalsContact O-CB 3.25Å; A219-F222 WeakPolarHBondContact O-CB 3.25Å; A219-F222 PolarHBondContact O-N 2.96Å; L220-F222 PolarHBondContact O-N 3.18Å; F222-D224 HydrophobicContact CD1-CB 4.16Å; F222-D224 HydrophobicContact CE1-CB 3.48Å; F222-D224 VanDerWaalsContact CE1-CB 3.48Å; F222-D224 HydrophobicContact CZ-CB 3.76Å; F222-D224 PolarHBondContact O-N 3.49Å; F222-F230 HydrophobicContact CD1-CD1 4.48Å; F222-F230 AromaticContact CD1-CE1 3.8Å; F222-F230 HydrophobicContact CD1-CE1 3.8Å; F222-F230 HydrophobicContact CD1-CE2 4.35Å; F222-F230 AromaticContact CD1-CZ 3.73Å; F222-F230 HydrophobicContact CD1-CZ 3.73Å; F222-F230 HydrophobicContact CE1-CD1 4.06Å; F222-F230 AromaticContact CE1-CD2 3.97Å; F222-F230 HydrophobicContact CE1-CD2 3.97Å; F222-F230 AromaticContact CE1-CE1 3.65Å; F222-F230 HydrophobicContact CE1-CE1 3.65Å; F222-F230 AromaticContact CE1-CE2 3.54Å; F222-F230 HydrophobicContact CE1-CE2 3.54Å; F222-F230 HydrophobicContact CE1-CG 4.21Å; F222-F230 AromaticContact CE1-CZ 3.37Å; F222-F230 HydrophobicContact CE1-CZ 3.37Å; F222-F230 HydrophobicContact CZ-CE2 4.31Å; F222-F230 HydrophobicContact CZ-CZ 4.48Å | ||
| 223 | E | 86.3 | Confident | 88.1 | Confident | 179 Ų | 179 | 75.5 Ų | 75.5 | 84% | 0.836 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -72.1 | -31 | -168.6 | -61.9 | -177.6 | 170 | 0 | 0 | 113.3 | W225 | E223-W225 PolarHBondContact O-N 3.19Š|
| 224 | D | 87 | Confident | 88.7 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -78.9 | 7.7 | -177 | -71.1 | -53.9 | 0 | 0 | 0 | 114.2 | F222 R226 N227 F230 | F222-D224 HydrophobicContact CD1-CB 4.16Å; F222-D224 HydrophobicContact CE1-CB 3.48Å; F222-D224 VanDerWaalsContact CE1-CB 3.48Å; F222-D224 HydrophobicContact CZ-CB 3.76Å; F222-D224 PolarHBondContact O-N 3.49Å; D224-R226 PolarHBondContact O-N 3.05Å; D224-N227 HydrophobicContact CB-CB 4.17Å; D224-N227 VanDerWaalsContact O-CB 3.3Å; D224-N227 WeakPolarHBondContact O-CB 3.33Å; D224-N227 PolarHBondContact O-N 3.31Å; D224-F230 HydrophobicContact CB-CB 4.33Å; D224-F230 HydrophobicContact CB-CD1 4.32Å; D224-F230 HydrophobicContact CB-CG 4.21Å; D224-F230 VanDerWaalsContact O-CD1 3.23Å; D224-F230 WeakPolarHBondContact O-CD1 3.22Å |
| 225 | W | 88.7 | Confident | 89.2 | Confident | 81 Ų | 81 | 77 Ų | 77 | 31% | 0.307 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -58.1 | -20.9 | 169.8 | -80 | 120 | 0 | 0 | 0 | 113.2 | F44 F49 A219 E223 F230 V231 F234 | F44-W225 HydrophobicContact CE2-CZ2 4.01Å; F44-W225 HydrophobicContact CZ-CZ2 4.21Å; F49-W225 HydrophobicContact CD1-CZ2 4.43Å; F49-W225 AromaticContact CE1-CH2 3.96Å; F49-W225 HydrophobicContact CE1-CH2 3.96Å; F49-W225 AromaticContact CE1-CZ2 3.73Å; F49-W225 HydrophobicContact CE1-CZ2 3.73Å; F49-W225 HydrophobicContact CZ-CZ2 4.47Å; A219-W225 PolarHBondContact O-NE1 3.06Å; E223-W225 PolarHBondContact O-N 3.19Å; W225-F230 HydrophobicContact CD2-CE1 4.02Å; W225-F230 HydrophobicContact CE3-CD1 4.44Å; W225-F230 AromaticContact CE3-CE1 3.8Å; W225-F230 HydrophobicContact CE3-CE1 3.8Å; W225-F230 HydrophobicContact CH2-CE1 4.26Å; W225-F230 HydrophobicContact CZ2-CE1 4.47Å; W225-F230 AromaticContact CZ3-CE1 3.93Å; W225-F230 HydrophobicContact CZ3-CE1 3.93Å; W225-V231 HydrophobicContact CE3-CG2 4.25Å; W225-V231 VanDerWaalsContact O-CG2 3.24Å; W225-V231 WeakPolarHBondContact O-CG2 3.39Å; W225-F234 AromaticContact CH2-CD1 3.97Å; W225-F234 HydrophobicContact CH2-CD1 3.97Å; W225-F234 HydrophobicContact CH2-CD2 4.09Å; W225-F234 AromaticContact CH2-CE1 3.84Å; W225-F234 HydrophobicContact CH2-CE1 3.84Å; W225-F234 AromaticContact CH2-CE2 3.95Å; W225-F234 HydrophobicContact CH2-CE2 3.95Å; W225-F234 HydrophobicContact CH2-CG 4.12Å; W225-F234 AromaticContact CH2-CZ 3.84Å; W225-F234 HydrophobicContact CH2-CZ 3.84Å; W225-F234 HydrophobicContact CZ3-CD1 4.13Å; W225-F234 HydrophobicContact CZ3-CE1 4.37Å; W225-F234 HydrophobicContact CZ3-CG 4.29Å |
| 226 | R | 87 | Confident | 89.7 | Confident | 239 Ų | 239 | 80 Ų | 80 | 90% | 0.902 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -82.8 | -15.3 | 174.2 | -62.8 | -178.2 | 179.7 | -178.1 | 0.9 | 113.4 | D224 V228 | D224-R226 PolarHBondContact O-N 3.05Å; R226-V228 PolarHBondContact O-N 3.28Å |
| 227 | N | 91.4 | Very high | 90 | Very high | 58 Ų | 58 | 78 Ų | 78 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | trans | -80.4 | 112 | 179.7 | -175.1 | -28.2 | 0 | 0 | 0 | 109.8 | D224 V229 F230 V231 | D224-N227 HydrophobicContact CB-CB 4.17Å; D224-N227 VanDerWaalsContact O-CB 3.3Å; D224-N227 WeakPolarHBondContact O-CB 3.33Å; D224-N227 PolarHBondContact O-N 3.31Å; N227-V229 PolarHBondContact O-N 2.93Å; N227-V229 WeakPolarHBondContact OD1-CB 3.36Å; N227-V229 PolarHBondContact OD1-N 2.91Å; N227-F230 HydrophobicContact CB-CB 4.02Å; N227-F230 WeakPolarHBondContact O-CB 3.38Å; N227-F230 PolarHBondContact O-N 3.37Å; N227-F230 VanDerWaalsContact O-N 3.14Å; N227-F230 PolarHBondContact OD1-N 3.4Å; N227-V231 WeakPolarHBondContact O-CG2 3.22Å; N227-V231 PolarHBondContact O-N 3.38Å | ||
| 228 | V | 91.8 | Very high | 90.2 | Very high | 103 Ų | 103 | 71.4 Ų | 71.4 | 62% | 0.624 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.3 | -37.2 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | R226 V231 L232 | R226-V228 PolarHBondContact O-N 3.28Å; V228-V231 PolarHBondContact O-N 2.91Å; V228-L232 HydrophobicContact CG1-CD1 3.99Å; V228-L232 HydrophobicContact CG1-CG 4.28Å; V228-L232 WeakPolarHBondContact O-CB 3.46Å; V228-L232 VanDerWaalsContact O-CG 3.27Å; V228-L232 WeakPolarHBondContact O-CG 3.48Å; V228-L232 PolarHBondContact O-N 3.35Å |
| 229 | V | 92.8 | Very high | 90.5 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.3 | -44 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | F42 N227 L232 C233 | F42-V229 HydrophobicContact CZ-CB 4.46Å; F42-V229 HydrophobicContact CZ-CG1 3.91Å; N227-V229 PolarHBondContact O-N 2.93Å; N227-V229 WeakPolarHBondContact OD1-CB 3.36Å; N227-V229 PolarHBondContact OD1-N 2.91Å; V229-L232 PolarHBondContact O-N 3.19Å; V229-C233 WeakPolarHBondContact O-CB 3.25Å; V229-C233 PolarHBondContact O-N 3.19Å; V229-C233 PolarHBondContact O-SG 2.98Å; V229-C233 VanDerWaalsContact O-SG 3.38Å |
| 230 | F | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 174.7 | 168.6 | -102.2 | 0 | 0 | 0 | 111.1 | V38 F42 F44 F222 D224 W225 N227 L232 C233 F234 | V38-F230 HydrophobicContact CG1-CE2 4.07Å; F42-F230 HydrophobicContact CB-CD2 3.68Å; F42-F230 HydrophobicContact CB-CE2 4.16Å; F42-F230 HydrophobicContact CD1-CB 4.04Å; F42-F230 HydrophobicContact CD1-CD2 4.13Å; F42-F230 HydrophobicContact CD2-CD2 4.17Å; F42-F230 HydrophobicContact CE1-CB 4.13Å; F42-F230 HydrophobicContact CG-CB 4.44Å; F42-F230 AromaticContact CG-CD2 3.75Å; F42-F230 HydrophobicContact CG-CD2 3.75Å; F44-F230 HydrophobicContact CB-CE2 4.12Å; F44-F230 HydrophobicContact CB-CZ 4.48Å; F44-F230 HydrophobicContact CD2-CE2 4.04Å; F44-F230 AromaticContact CD2-CZ 3.56Å; F44-F230 HydrophobicContact CD2-CZ 3.56Å; F44-F230 HydrophobicContact CE2-CZ 4.02Å; F44-F230 HydrophobicContact CG-CE2 4.27Å; F44-F230 HydrophobicContact CG-CZ 4.15Å; F222-F230 HydrophobicContact CD1-CD1 4.48Å; F222-F230 AromaticContact CD1-CE1 3.8Å; F222-F230 HydrophobicContact CD1-CE1 3.8Å; F222-F230 HydrophobicContact CD1-CE2 4.35Å; F222-F230 AromaticContact CD1-CZ 3.73Å; F222-F230 HydrophobicContact CD1-CZ 3.73Å; F222-F230 HydrophobicContact CE1-CD1 4.06Å; F222-F230 AromaticContact CE1-CD2 3.97Å; F222-F230 HydrophobicContact CE1-CD2 3.97Å; F222-F230 AromaticContact CE1-CE1 3.65Å; F222-F230 HydrophobicContact CE1-CE1 3.65Å; F222-F230 AromaticContact CE1-CE2 3.54Å; F222-F230 HydrophobicContact CE1-CE2 3.54Å; F222-F230 HydrophobicContact CE1-CG 4.21Å; F222-F230 AromaticContact CE1-CZ 3.37Å; F222-F230 HydrophobicContact CE1-CZ 3.37Å; F222-F230 HydrophobicContact CZ-CE2 4.31Å; F222-F230 HydrophobicContact CZ-CZ 4.48Å; D224-F230 HydrophobicContact CB-CB 4.33Å; D224-F230 HydrophobicContact CB-CD1 4.32Å; D224-F230 HydrophobicContact CB-CG 4.21Å; D224-F230 VanDerWaalsContact O-CD1 3.23Å; D224-F230 WeakPolarHBondContact O-CD1 3.22Å; W225-F230 HydrophobicContact CD2-CE1 4.02Å; W225-F230 HydrophobicContact CE3-CD1 4.44Å; W225-F230 AromaticContact CE3-CE1 3.8Å; W225-F230 HydrophobicContact CE3-CE1 3.8Å; W225-F230 HydrophobicContact CH2-CE1 4.26Å; W225-F230 HydrophobicContact CZ2-CE1 4.47Å; W225-F230 AromaticContact CZ3-CE1 3.93Å; W225-F230 HydrophobicContact CZ3-CE1 3.93Å; N227-F230 HydrophobicContact CB-CB 4.02Å; N227-F230 WeakPolarHBondContact O-CB 3.38Å; N227-F230 PolarHBondContact O-N 3.37Å; N227-F230 VanDerWaalsContact O-N 3.14Å; N227-F230 PolarHBondContact OD1-N 3.4Å; F230-L232 VanDerWaalsContact C-N 3.33Å; F230-L232 PolarHBondContact O-N 2.91Å; F230-C233 PolarHBondContact O-N 2.79Å; F230-F234 HydrophobicContact CE1-CB 4.47Å; F230-F234 HydrophobicContact CZ-CB 4.3Å; F230-F234 HydrophobicContact CZ-CD2 4.03Å; F230-F234 HydrophobicContact CZ-CG 4.46Å; F230-F234 WeakPolarHBondContact O-CB 3.44Å; F230-F234 PolarHBondContact O-N 2.87Å |
| 231 | V | 92.5 | Very high | 90.8 | Very high | 41 Ų | 41 | 68.1 Ų | 68.1 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | W225 N227 V228 F234 L235 | W225-V231 HydrophobicContact CE3-CG2 4.25Å; W225-V231 VanDerWaalsContact O-CG2 3.24Å; W225-V231 WeakPolarHBondContact O-CG2 3.39Å; N227-V231 WeakPolarHBondContact O-CG2 3.22Å; N227-V231 PolarHBondContact O-N 3.38Å; V228-V231 PolarHBondContact O-N 2.91Å; V231-F234 PolarHBondContact O-N 3.46Å; V231-L235 HydrophobicContact CG1-CD1 4.02Å; V231-L235 HydrophobicContact CG1-CG 4.36Å; V231-L235 WeakPolarHBondContact O-CB 3.22Å; V231-L235 VanDerWaalsContact O-CG 3.3Å; V231-L235 WeakPolarHBondContact O-CG 3.25Å; V231-L235 PolarHBondContact O-N 3.17Å |
| 232 | L | 92.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 175.8 | -72 | 174.5 | 0 | 0 | 0 | 111.9 | V228 V229 F230 L235 L236 | V228-L232 HydrophobicContact CG1-CD1 3.99Å; V228-L232 HydrophobicContact CG1-CG 4.28Å; V228-L232 WeakPolarHBondContact O-CB 3.46Å; V228-L232 VanDerWaalsContact O-CG 3.27Å; V228-L232 WeakPolarHBondContact O-CG 3.48Å; V228-L232 PolarHBondContact O-N 3.35Å; V229-L232 PolarHBondContact O-N 3.19Å; F230-L232 VanDerWaalsContact C-N 3.33Å; F230-L232 PolarHBondContact O-N 2.91Å; L232-L235 PolarHBondContact O-N 3.34Å; L232-L236 VanDerWaalsContact O-CB 3.24Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 PolarHBondContact O-N 3.45Å |
| 233 | C | 91 | Very high | 90.9 | Very high | 31 Ų | 31 | 65.6 Ų | 65.6 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.7 | -73.8 | 0 | 0 | 0 | 0 | 112.5 | V38 F42 V229 F230 L236 S237 | V38-C233 HydrophobicContact CG2-CB 4.12Å; F42-C233 HydrophobicContact CE2-CB 4.05Å; V229-C233 WeakPolarHBondContact O-CB 3.25Å; V229-C233 PolarHBondContact O-N 3.19Å; V229-C233 PolarHBondContact O-SG 2.98Å; V229-C233 VanDerWaalsContact O-SG 3.38Å; F230-C233 PolarHBondContact O-N 2.79Å; C233-L236 PolarHBondContact O-N 3.03Å; C233-S237 PolarHBondContact O-N 3.48Å |
| 234 | F | 92.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -49.5 | 176 | -177.1 | -85.9 | 0 | 0 | 0 | 110.9 | V38 F44 F49 L50 W225 F230 V231 L236 S237 C238 | V38-F234 HydrophobicContact CG1-CD2 4.19Å; F44-F234 AromaticContact CE1-CE2 3.91Å; F44-F234 HydrophobicContact CE1-CE2 3.91Å; F44-F234 HydrophobicContact CZ-CE2 4.03Å; F49-F234 HydrophobicContact CD1-CE2 4.13Å; F49-F234 AromaticContact CD1-CZ 3.84Å; F49-F234 HydrophobicContact CD1-CZ 3.84Å; F49-F234 HydrophobicContact CE1-CE2 4.35Å; F49-F234 AromaticContact CE1-CZ 3.76Å; F49-F234 HydrophobicContact CE1-CZ 3.76Å; L50-F234 HydrophobicContact CB-CE2 4.42Å; L50-F234 HydrophobicContact CD1-CD2 3.58Å; L50-F234 HydrophobicContact CD1-CE2 3.38Å; L50-F234 HydrophobicContact CD1-CG 4.35Å; L50-F234 HydrophobicContact CD1-CZ 4.02Å; W225-F234 AromaticContact CH2-CD1 3.97Å; W225-F234 HydrophobicContact CH2-CD1 3.97Å; W225-F234 HydrophobicContact CH2-CD2 4.09Å; W225-F234 AromaticContact CH2-CE1 3.84Å; W225-F234 HydrophobicContact CH2-CE1 3.84Å; W225-F234 AromaticContact CH2-CE2 3.95Å; W225-F234 HydrophobicContact CH2-CE2 3.95Å; W225-F234 HydrophobicContact CH2-CG 4.12Å; W225-F234 AromaticContact CH2-CZ 3.84Å; W225-F234 HydrophobicContact CH2-CZ 3.84Å; W225-F234 HydrophobicContact CZ3-CD1 4.13Å; W225-F234 HydrophobicContact CZ3-CE1 4.37Å; W225-F234 HydrophobicContact CZ3-CG 4.29Å; F230-F234 HydrophobicContact CE1-CB 4.47Å; F230-F234 HydrophobicContact CZ-CB 4.3Å; F230-F234 HydrophobicContact CZ-CD2 4.03Å; F230-F234 HydrophobicContact CZ-CG 4.46Å; F230-F234 WeakPolarHBondContact O-CB 3.44Å; F230-F234 PolarHBondContact O-N 2.87Å; V231-F234 PolarHBondContact O-N 3.46Å; F234-L236 VanDerWaalsContact C-N 3.32Å; F234-L236 PolarHBondContact O-N 3.32Å; F234-S237 WeakPolarHBondContact O-CB 3.04Å; F234-S237 PolarHBondContact O-N 3.12Å; F234-S237 VanDerWaalsContact O-N 3.14Å; F234-C238 WeakPolarHBondContact CE1-SG 3.39Å; F234-C238 PolarHBondContact O-N 3.11Å; F234-C238 PolarHBondContact O-SG 2.87Å; F234-C238 VanDerWaalsContact O-SG 3.32Å |
| 235 | L | 93.3 | Very high | 91.2 | Very high | 100 Ų | 100 | 57.6 Ų | 57.6 | 52% | 0.524 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 176.5 | -70 | 175.7 | 0 | 0 | 0 | 112 | V231 L232 S237 C238 F239 | V231-L235 HydrophobicContact CG1-CD1 4.02Å; V231-L235 HydrophobicContact CG1-CG 4.36Å; V231-L235 WeakPolarHBondContact O-CB 3.22Å; V231-L235 VanDerWaalsContact O-CG 3.3Å; V231-L235 WeakPolarHBondContact O-CG 3.25Å; V231-L235 PolarHBondContact O-N 3.17Å; L232-L235 PolarHBondContact O-N 3.34Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-C238 WeakPolarHBondContact O-CB 3.3Å; L235-C238 PolarHBondContact O-N 2.87Å; L235-F239 PolarHBondContact O-N 3.33Å |
| 236 | L | 93.4 | Very high | 91.2 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 173.5 | 179.5 | 63.1 | 0 | 0 | 0 | 111.5 | V34 L232 C233 F234 F239 M240 | V34-L236 HydrophobicContact CG1-CD2 4.36Å; V34-L236 HydrophobicContact CG1-CG 4.24Å; V34-L236 HydrophobicContact CG2-CD2 4.41Å; L232-L236 VanDerWaalsContact O-CB 3.24Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 PolarHBondContact O-N 3.45Å; C233-L236 PolarHBondContact O-N 3.03Å; F234-L236 VanDerWaalsContact C-N 3.32Å; F234-L236 PolarHBondContact O-N 3.32Å; L236-F239 PolarHBondContact O-N 3.06Å; L236-M240 HydrophobicContact CD1-CE 4.34Å; L236-M240 HydrophobicContact CD1-CG 4.32Å; L236-M240 WeakPolarHBondContact O-CB 3.39Å; L236-M240 VanDerWaalsContact O-CG 3.31Å; L236-M240 WeakPolarHBondContact O-CG 3.46Å; L236-M240 PolarHBondContact O-N 3.49Å |
| 237 | S | 91.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | N35 L50 Q54 C233 F234 L235 F239 M240 G241 | N35-S237 PolarHBondContact OD1-OG 3.48Å; L50-S237 WeakPolarHBondContact CD1-OG 3.34Å; Q54-S237 PolarHBondContact NE2-OG 2.81Å; C233-S237 PolarHBondContact O-N 3.48Å; F234-S237 WeakPolarHBondContact O-CB 3.04Å; F234-S237 PolarHBondContact O-N 3.12Å; F234-S237 VanDerWaalsContact O-N 3.14Å; L235-S237 VanDerWaalsContact C-N 3.34Å; S237-F239 PolarHBondContact O-N 3.46Å; S237-M240 PolarHBondContact O-N 3.36Å; S237-G241 PolarHBondContact O-N 3.46Å |
| 238 | C | 92.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 176.8 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | T57 F234 L235 G241 F242 | T57-C238 WeakPolarHBondContact OG1-CB 3.22Å; F234-C238 WeakPolarHBondContact CE1-SG 3.39Å; F234-C238 PolarHBondContact O-N 3.11Å; F234-C238 PolarHBondContact O-SG 2.87Å; F234-C238 VanDerWaalsContact O-SG 3.32Å; L235-C238 WeakPolarHBondContact O-CB 3.3Å; L235-C238 PolarHBondContact O-N 2.87Å; C238-G241 PolarHBondContact O-N 3.06Å; C238-F242 PolarHBondContact O-N 3.13Å |
| 239 | F | 92.9 | Very high | 91 | Very high | 100 Ų | 100 | 39.8 Ų | 39.8 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 176.2 | -176.7 | -102.1 | 0 | 0 | 0 | 112.4 | L235 L236 S237 G241 F242 V243 | L235-F239 PolarHBondContact O-N 3.33Å; L236-F239 PolarHBondContact O-N 3.06Å; S237-F239 PolarHBondContact O-N 3.46Å; F239-G241 PolarHBondContact O-N 3.14Å; F239-F242 HydrophobicContact CE2-CD1 4.23Å; F239-F242 WeakPolarHBondContact O-CA 3.22Å; F239-F242 WeakPolarHBondContact O-CB 3.35Å; F239-F242 PolarHBondContact O-N 2.62Å; F239-V243 HydrophobicContact CD1-CG2 4.05Å; F239-V243 HydrophobicContact CE1-CG2 3.69Å; F239-V243 HydrophobicContact CZ-CG2 4.12Å; F239-V243 WeakPolarHBondContact O-CG2 3.13Å; F239-V243 PolarHBondContact O-N 3Å |
| 240 | M | 91.6 | Very high | 90.8 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 19% | 0.192 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -30.8 | 174.7 | -76.7 | -66.9 | -177.1 | 0 | 0 | 112.2 | L30 I31 L236 S237 V243 L244 | L30-M240 HydrophobicContact CD1-CE 4.5Å; I31-M240 HydrophobicContact CB-CB 4.12Å; I31-M240 HydrophobicContact CD1-CB 4.48Å; I31-M240 HydrophobicContact CG1-CB 3.99Å; L236-M240 HydrophobicContact CD1-CE 4.34Å; L236-M240 HydrophobicContact CD1-CG 4.32Å; L236-M240 WeakPolarHBondContact O-CB 3.39Å; L236-M240 VanDerWaalsContact O-CG 3.31Å; L236-M240 WeakPolarHBondContact O-CG 3.46Å; L236-M240 PolarHBondContact O-N 3.49Å; S237-M240 PolarHBondContact O-N 3.36Å; M240-V243 PolarHBondContact O-N 2.95Å; M240-L244 WeakPolarHBondContact O-CB 3.4Å; M240-L244 PolarHBondContact O-N 3.27Å |
| 241 | G | 88.4 | Confident | 90.6 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I31 S237 C238 F239 L244 M245 | I31-G241 VanDerWaalsContact CD1-CA 3.47Å; S237-G241 PolarHBondContact O-N 3.46Å; C238-G241 PolarHBondContact O-N 3.06Å; F239-G241 PolarHBondContact O-N 3.14Å; G241-L244 PolarHBondContact O-N 3.13Å; G241-M245 WeakPolarHBondContact O-CB 3.43Å; G241-M245 PolarHBondContact O-N 3.1Å |
| 242 | F | 89.4 | Confident | 90.2 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 171.4 | 162.5 | -104.5 | 0 | 0 | 0 | 111.7 | T57 T58 V61 L62 L195 C238 F239 L244 M245 Y246 | T57-F242 HydrophobicContact CG2-CB 4.48Å; T58-F242 HydrophobicContact CG2-CD2 3.87Å; T58-F242 HydrophobicContact CG2-CE2 4.48Å; T58-F242 WeakPolarHBondContact OG1-CA 3.22Å; V61-F242 HydrophobicContact CG1-CD1 4.38Å; V61-F242 HydrophobicContact CG1-CE1 3.91Å; V61-F242 HydrophobicContact CG1-CE2 4.11Å; V61-F242 HydrophobicContact CG1-CZ 3.76Å; L62-F242 HydrophobicContact CD2-CE2 4.32Å; L62-F242 HydrophobicContact CG-CE2 4.29Å; L195-F242 HydrophobicContact CD2-CE2 4.15Å; C238-F242 PolarHBondContact O-N 3.13Å; F239-F242 HydrophobicContact CE2-CD1 4.23Å; F239-F242 WeakPolarHBondContact O-CA 3.22Å; F239-F242 WeakPolarHBondContact O-CB 3.35Å; F239-F242 PolarHBondContact O-N 2.62Å; F242-L244 VanDerWaalsContact C-N 3.31Å; F242-L244 PolarHBondContact O-N 3.08Å; F242-M245 PolarHBondContact O-N 2.87Å; F242-Y246 WeakPolarHBondContact O-CB 3.43Å; F242-Y246 PolarHBondContact O-N 2.85Å |
| 243 | V | 91.6 | Very high | 89.9 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | F23 F239 M240 Y246 S247 | F23-V243 HydrophobicContact CE2-CG1 4.38Å; F23-V243 HydrophobicContact CZ-CG1 3.83Å; F239-V243 HydrophobicContact CD1-CG2 4.05Å; F239-V243 HydrophobicContact CE1-CG2 3.69Å; F239-V243 HydrophobicContact CZ-CG2 4.12Å; F239-V243 WeakPolarHBondContact O-CG2 3.13Å; F239-V243 PolarHBondContact O-N 3Å; M240-V243 PolarHBondContact O-N 2.95Å; V243-Y246 PolarHBondContact O-N 3.48Å; V243-S247 VanDerWaalsContact O-CB 3.3Å; V243-S247 WeakPolarHBondContact O-CB 3.43Å; V243-S247 PolarHBondContact O-N 2.71Å; V243-S247 PolarHBondContact O-OG 3.27Å |
| 244 | L | 90.7 | Very high | 89.6 | Confident | 34 Ų | 34 | 35 Ų | 35 | 18% | 0.178 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -53.9 | 174.7 | 175.1 | 65 | 0 | 0 | 0 | 110.6 | Y24 I31 M240 G241 F242 Y246 S247 I248 | Y24-L244 HydrophobicContact CD2-CD1 4.12Å; Y24-L244 HydrophobicContact CE2-CD1 3.91Å; I31-L244 HydrophobicContact CD1-CB 3.98Å; I31-L244 HydrophobicContact CD1-CD2 3.77Å; I31-L244 HydrophobicContact CD1-CG 4.5Å; I31-L244 HydrophobicContact CG2-CB 4.4Å; I31-L244 HydrophobicContact CG2-CD1 4.44Å; I31-L244 HydrophobicContact CG2-CD2 3.94Å; I31-L244 HydrophobicContact CG2-CG 4.47Å; M240-L244 WeakPolarHBondContact O-CB 3.4Å; M240-L244 PolarHBondContact O-N 3.27Å; G241-L244 PolarHBondContact O-N 3.13Å; F242-L244 VanDerWaalsContact C-N 3.31Å; F242-L244 PolarHBondContact O-N 3.08Å; L244-Y246 VanDerWaalsContact C-N 3.31Å; L244-Y246 PolarHBondContact O-N 3.3Å; L244-S247 WeakPolarHBondContact CA-OG 3.47Å; L244-S247 PolarHBondContact O-N 3.5Å; L244-S247 VanDerWaalsContact O-N 3.11Å; L244-S247 PolarHBondContact O-OG 3.4Å; L244-I248 HydrophobicContact CD1-CD1 4Å; L244-I248 HydrophobicContact CD1-CG1 4.25Å; L244-I248 HydrophobicContact CD2-CD1 4.46Å; L244-I248 HydrophobicContact CG-CD1 3.89Å; L244-I248 WeakPolarHBondContact O-CG1 3.42Å; L244-I248 PolarHBondContact O-N 2.84Å |
| 245 | M | 88.4 | Confident | 89.4 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | -176.3 | -166.4 | 68.1 | -175.5 | 0 | 0 | 111.6 | L195 N198 G241 F242 I248 V249 | L195-M245 HydrophobicContact CD1-CB 3.87Å; L195-M245 HydrophobicContact CD1-CE 4.4Å; L195-M245 HydrophobicContact CD1-CG 3.2Å; N198-M245 HydrophobicContact CB-CE 4.27Å; N198-M245 WeakPolarHBondContact ND2-CE 3.42Å; G241-M245 WeakPolarHBondContact O-CB 3.43Å; G241-M245 PolarHBondContact O-N 3.1Å; F242-M245 PolarHBondContact O-N 2.87Å; M245-I248 PolarHBondContact O-N 2.79Å; M245-V249 WeakPolarHBondContact O-CG2 3.35Å; M245-V249 PolarHBondContact O-N 3.31Å; M245-V249 VanDerWaalsContact O-N 3.1Å |
| 246 | Y | 88.9 | Confident | 89.1 | Confident | 57 Ų | 57 | 30.4 Ų | 30.4 | 22% | 0.224 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 172.4 | 178.1 | -104.3 | 0 | 0 | 0 | 111.8 | F23 Y192 L195 F242 V243 L244 I248 V249 L250 | F23-Y246 HydrophobicContact CE1-CD1 4.12Å; F23-Y246 HydrophobicContact CE1-CE1 4.43Å; Y192-Y246 AromaticContact CE1-CE2 3.87Å; Y192-Y246 HydrophobicContact CE1-CE2 3.87Å; L195-Y246 HydrophobicContact CD2-CD2 4.02Å; F242-Y246 WeakPolarHBondContact O-CB 3.43Å; F242-Y246 PolarHBondContact O-N 2.85Å; V243-Y246 PolarHBondContact O-N 3.48Å; L244-Y246 VanDerWaalsContact C-N 3.31Å; L244-Y246 PolarHBondContact O-N 3.3Å; Y246-I248 VanDerWaalsContact C-N 3.34Å; Y246-I248 PolarHBondContact O-N 3.42Å; Y246-V249 PolarHBondContact O-N 2.93Å; Y246-L250 HydrophobicContact CE1-CD2 3.91Å; Y246-L250 VanDerWaalsContact O-CB 3.27Å; Y246-L250 WeakPolarHBondContact O-CB 3.32Å; Y246-L250 PolarHBondContact O-N 3.35Å |
| 247 | S | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 178.8 | 75.4 | 0 | 0 | 0 | 0 | 112.9 | F23 V243 L244 L250 C251 | F23-S247 VanDerWaalsContact CD1-CB 3.47Å; F23-S247 VanDerWaalsContact CE1-CB 3.46Å; V243-S247 VanDerWaalsContact O-CB 3.3Å; V243-S247 WeakPolarHBondContact O-CB 3.43Å; V243-S247 PolarHBondContact O-N 2.71Å; V243-S247 PolarHBondContact O-OG 3.27Å; L244-S247 WeakPolarHBondContact CA-OG 3.47Å; L244-S247 PolarHBondContact O-N 3.5Å; L244-S247 VanDerWaalsContact O-N 3.11Å; L244-S247 PolarHBondContact O-OG 3.4Å; S247-L250 PolarHBondContact O-N 2.94Å; S247-C251 WeakPolarHBondContact O-CB 3.12Å; S247-C251 PolarHBondContact O-N 3.03Å |
| 248 | I | 88.4 | Confident | 88.6 | Confident | 47 Ų | 47 | 26.8 Ų | 26.8 | 24% | 0.241 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.7 | -48.8 | 174.7 | -70.6 | 166.3 | 0 | 0 | 0 | 110.3 | Y24 L244 M245 Y246 L250 C251 S252 T260 | Y24-I248 HydrophobicContact CD2-CG1 3.61Å; Y24-I248 HydrophobicContact CE2-CD1 4.01Å; Y24-I248 HydrophobicContact CE2-CG1 3.3Å; L244-I248 HydrophobicContact CD1-CD1 4Å; L244-I248 HydrophobicContact CD1-CG1 4.25Å; L244-I248 HydrophobicContact CD2-CD1 4.46Å; L244-I248 HydrophobicContact CG-CD1 3.89Å; L244-I248 WeakPolarHBondContact O-CG1 3.42Å; L244-I248 PolarHBondContact O-N 2.84Å; M245-I248 PolarHBondContact O-N 2.79Å; Y246-I248 VanDerWaalsContact C-N 3.34Å; Y246-I248 PolarHBondContact O-N 3.42Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-C251 PolarHBondContact O-N 3.49Å; I248-S252 VanDerWaalsContact O-CB 3.27Å; I248-S252 WeakPolarHBondContact O-CB 3.47Å; I248-S252 PolarHBondContact O-N 3.06Å; I248-S252 PolarHBondContact O-OG 3.35Å; I248-T260 HydrophobicContact CG2-CG2 4.25Å |
| 249 | V | 87 | Confident | 88.4 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 178.6 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | L184 K191 L195 M245 Y246 S252 Y253 | L184-V249 HydrophobicContact CD2-CG1 3.86Å; L184-V249 WeakPolarHBondContact CD2-O 3.33Å; K191-V249 HydrophobicContact CB-CG1 4.31Å; L195-V249 HydrophobicContact CB-CG2 4.46Å; L195-V249 HydrophobicContact CD1-CG2 3.92Å; M245-V249 WeakPolarHBondContact O-CG2 3.35Å; M245-V249 PolarHBondContact O-N 3.31Å; M245-V249 VanDerWaalsContact O-N 3.1Å; Y246-V249 PolarHBondContact O-N 2.93Å; V249-S252 CarbonylContact O-C 3.54Å; V249-S252 PolarHBondContact O-N 3.47Å; V249-Y253 WeakPolarHBondContact O-CB 3.37Å; V249-Y253 PolarHBondContact O-N 3.28Å |
| 250 | L | 87.1 | Confident | 88.3 | Confident | 23 Ų | 23 | 22.4 Ų | 22.4 | 12% | 0.12 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 178.6 | -164.6 | 68.2 | 0 | 0 | 0 | 112.1 | F23 Y246 S247 I248 S252 Y253 Y254 | F23-L250 HydrophobicContact CD1-CD2 4.5Å; Y246-L250 HydrophobicContact CE1-CD2 3.91Å; Y246-L250 VanDerWaalsContact O-CB 3.27Å; Y246-L250 WeakPolarHBondContact O-CB 3.32Å; Y246-L250 PolarHBondContact O-N 3.35Å; S247-L250 PolarHBondContact O-N 2.94Å; I248-L250 VanDerWaalsContact C-N 3.34Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 2.97Å; L250-Y253 WeakPolarHBondContact O-CB 3.48Å; L250-Y253 PolarHBondContact O-N 3.45Å; L250-Y253 VanDerWaalsContact O-N 3.14Å; L250-Y254 HydrophobicContact CD1-CD2 4.07Å; L250-Y254 HydrophobicContact CD1-CE2 3.48Å; L250-Y254 VanDerWaalsContact CD1-CE2 3.48Å; L250-Y254 HydrophobicContact CG-CD2 3.97Å; L250-Y254 HydrophobicContact CG-CE2 3.78Å; L250-Y254 VanDerWaalsContact O-CD2 3.3Å; L250-Y254 WeakPolarHBondContact O-CD2 3.34Å; L250-Y254 PolarHBondContact O-N 2.65Å; L250-Y254 VanDerWaalsContact O-N 3.08Å |
| 251 | C | 88.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | Y24 S247 I248 Y253 Y254 N255 T260 | Y24-C251 HydrophobicContact CG-CB 4.47Å; S247-C251 WeakPolarHBondContact O-CB 3.12Å; S247-C251 PolarHBondContact O-N 3.03Å; I248-C251 PolarHBondContact O-N 3.49Å; C251-Y253 PolarHBondContact O-N 3.17Å; C251-Y254 PolarHBondContact O-N 3.44Å; C251-N255 WeakPolarHBondContact O-CA 3.4Å; C251-N255 WeakPolarHBondContact O-CB 3.39Å; C251-N255 PolarHBondContact O-N 3.38Å; C251-N255 PolarHBondContact O-ND2 3.39Å; C251-T260 PolarHBondContact SG-OG1 3.13Å; C251-T260 VanDerWaalsContact SG-OG1 3.41Å |
| 252 | S | 85.5 | Confident | 88.2 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 6% | 0.063 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.4 | -20.7 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | K181 I248 V249 L250 N255 T260 | K181-S252 WeakPolarHBondContact CD-O 3.45Å; K181-S252 VanDerWaalsContact CE-O 3.3Å; K181-S252 WeakPolarHBondContact CE-O 3.46Å; K181-S252 PolarHBondContact NZ-O 3.12Å; I248-S252 VanDerWaalsContact O-CB 3.27Å; I248-S252 WeakPolarHBondContact O-CB 3.47Å; I248-S252 PolarHBondContact O-N 3.06Å; I248-S252 PolarHBondContact O-OG 3.35Å; V249-S252 CarbonylContact O-C 3.54Å; V249-S252 PolarHBondContact O-N 3.47Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 2.97Å; S252-N255 CarbonylContact C-O 3.6Å; S252-T260 PolarHBondContact N-OG1 3.43Å; S252-T260 PolarHBondContact OG-OG1 3.45Å |
| 253 | Y | 85.4 | Confident | 88.3 | Confident | 84 Ų | 84 | 21.3 Ų | 21.3 | 33% | 0.329 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -73 | -54.6 | 173.5 | -178.8 | -103.6 | 0 | 0 | 0 | 110.3 | K181 L184 V249 L250 C251 | K181-Y253 PolarHBondContact NZ-O 3.05Å; L184-Y253 HydrophobicContact CD2-CD2 3.96Å; L184-Y253 HydrophobicContact CD2-CG 4.31Å; V249-Y253 WeakPolarHBondContact O-CB 3.37Å; V249-Y253 PolarHBondContact O-N 3.28Å; L250-Y253 WeakPolarHBondContact O-CB 3.48Å; L250-Y253 PolarHBondContact O-N 3.45Å; L250-Y253 VanDerWaalsContact O-N 3.14Å; C251-Y253 PolarHBondContact O-N 3.17Å |
| 254 | Y | 84.7 | Confident | 88.1 | Confident | 47 Ų | 47 | 20.5 Ų | 20.5 | 18% | 0.184 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -78.9 | -30.2 | -176.5 | -67.3 | -63.5 | 0 | 0 | 0 | 114.2 | H12 L16 L250 C251 | H12-Y254 HydrophobicContact CB-CD1 4.05Å; H12-Y254 AromaticContact CD2-CD1 3.63Å; H12-Y254 AromaticContact CE1-CD1 3.95Å; H12-Y254 AromaticContact CE1-CE1 3.92Å; H12-Y254 AromaticContact CG-CD1 3.58Å; H12-Y254 AromaticContact ND1-CD1 3.79Å; H12-Y254 AromaticContact ND1-CE1 3.85Å; H12-Y254 AromaticContact NE2-CD1 3.84Å; L16-Y254 HydrophobicContact CB-CD1 4.42Å; L16-Y254 HydrophobicContact CD2-CE1 4.42Å; L250-Y254 HydrophobicContact CD1-CD2 4.07Å; L250-Y254 HydrophobicContact CD1-CE2 3.48Å; L250-Y254 VanDerWaalsContact CD1-CE2 3.48Å; L250-Y254 HydrophobicContact CG-CD2 3.97Å; L250-Y254 HydrophobicContact CG-CE2 3.78Å; L250-Y254 VanDerWaalsContact O-CD2 3.3Å; L250-Y254 WeakPolarHBondContact O-CD2 3.34Å; L250-Y254 PolarHBondContact O-N 2.65Å; L250-Y254 VanDerWaalsContact O-N 3.08Å; C251-Y254 PolarHBondContact O-N 3.44Å |
| 255 | N | 87.3 | Confident | 87.9 | Confident | 9 Ų | 9 | 19.7 Ų | 19.7 | 5% | 0.048 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -110.3 | 179.5 | 178 | -57.2 | -71.3 | 0 | 0 | 0 | 111.3 | K17 S20 K181 C251 S252 T259 | K17-N255 WeakPolarHBondContact CA-OD1 3.32Å; K17-N255 VanDerWaalsContact CB-OD1 3.22Å; K17-N255 WeakPolarHBondContact CB-OD1 3.46Å; K17-N255 PolarHBondContact O-ND2 2.89Å; K17-N255 PolarHBondContact O-OD1 3.49Å; S20-N255 PolarHBondContact OG-ND2 2.94Å; K181-N255 WeakPolarHBondContact CE-O 3.26Å; K181-N255 PolarHBondContact NZ-O 3.01Å; C251-N255 WeakPolarHBondContact O-CA 3.4Å; C251-N255 WeakPolarHBondContact O-CB 3.39Å; C251-N255 PolarHBondContact O-N 3.38Å; C251-N255 PolarHBondContact O-ND2 3.39Å; S252-N255 CarbonylContact C-O 3.6Å; N255-T259 HydrophobicContact CB-CG2 3.89Å |
| 256 | S | 86.8 | Confident | 87.9 | Confident | 9 Ų | 9 | 19.2 Ų | 19.2 | 6% | 0.063 | 10% | 0.097 | C | C | . | . | trans | -85.4 | 163.4 | 172.5 | 86.2 | 0 | 0 | 0 | 0 | 111.9 | E125 K131 L258 T259 T260 | E125-S256 VanDerWaalsContact OE1-CB 3.25Å; E125-S256 WeakPolarHBondContact OE1-CB 3.27Å; E125-S256 PolarHBondContact OE2-OG 3.07Å; K131-S256 PolarHBondContact NZ-OG 3.31Å; S256-L258 PolarHBondContact O-N 3Å; S256-T259 PolarHBondContact O-N 2.87Å; S256-T259 VanDerWaalsContact O-N 3.11Å; S256-T260 PolarHBondContact O-N 3.36Å; S256-T260 VanDerWaalsContact O-N 3.14Å; S256-T260 PolarHBondContact O-OG1 2.9Å | ||
| 257 | A | 86.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.9 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T121 E125 V178 K181 T259 T260 T261 | T121-A257 HydrophobicContact CG2-CB 4.15Å; E125-A257 HydrophobicContact CG-CB 4.36Å; E125-A257 WeakPolarHBondContact OE1-CA 3.4Å; E125-A257 VanDerWaalsContact OE1-CB 3.24Å; E125-A257 WeakPolarHBondContact OE1-CB 3.49Å; E125-A257 PolarHBondContact OE1-N 2.88Å; V178-A257 HydrophobicContact CG2-CB 4.18Å; K181-A257 HydrophobicContact CB-CB 4.06Å; A257-T259 VanDerWaalsContact C-N 3.35Å; A257-T259 PolarHBondContact O-N 3.15Å; A257-T260 PolarHBondContact O-N 3.23Å; A257-T261 PolarHBondContact O-N 3.09Å; A257-T261 PolarHBondContact O-OG1 3.13Å |
| 258 | L | 88.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 173.9 | -177.6 | 62 | 0 | 0 | 0 | 112.3 | I118 T121 M122 E125 F133 V141 S256 T260 T261 V262 Y302 | I118-L258 HydrophobicContact CG2-CD1 3.69Å; I118-L258 WeakPolarHBondContact O-CD1 3.28Å; T121-L258 HydrophobicContact CG2-CB 4.25Å; T121-L258 HydrophobicContact CG2-CD1 4.43Å; M122-L258 HydrophobicContact CB-CD1 3.97Å; M122-L258 HydrophobicContact CB-CD2 4Å; M122-L258 HydrophobicContact CG-CD2 3.93Å; E125-L258 PolarHBondContact OE1-N 3.36Å; E125-L258 WeakPolarHBondContact OE2-CB 3.41Å; E125-L258 PolarHBondContact OE2-N 2.95Å; F133-L258 HydrophobicContact CD1-CD2 4.11Å; F133-L258 HydrophobicContact CE1-CD2 3.52Å; F133-L258 HydrophobicContact CZ-CD2 4.03Å; V141-L258 HydrophobicContact CG2-CD1 4.48Å; V141-L258 HydrophobicContact CG2-CD2 4.45Å; S256-L258 PolarHBondContact O-N 3Å; L258-T260 PolarHBondContact O-N 3.44Å; L258-T261 PolarHBondContact O-N 3.31Å; L258-V262 HydrophobicContact CD1-CG2 4.31Å; L258-V262 HydrophobicContact CG-CG2 4.5Å; L258-V262 WeakPolarHBondContact O-CG2 3.48Å; L258-V262 PolarHBondContact O-N 3.27Å; L258-Y302 HydrophobicContact CD2-CE2 3.6Å; L258-Y302 HydrophobicContact CG-CE2 3.85Å; L258-Y302 WeakPolarHBondContact CG-OH 3.35Å |
| 259 | T | 89.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 178.1 | -49.2 | 0 | 0 | 0 | 0 | 111.5 | N255 S256 A257 T261 V262 V263 Y302 F307 | N255-T259 HydrophobicContact CB-CG2 3.89Å; S256-T259 PolarHBondContact O-N 2.87Å; S256-T259 VanDerWaalsContact O-N 3.11Å; A257-T259 VanDerWaalsContact C-N 3.35Å; A257-T259 PolarHBondContact O-N 3.15Å; T259-T261 VanDerWaalsContact C-N 3.31Å; T259-T261 PolarHBondContact O-N 2.8Å; T259-V262 PolarHBondContact O-N 3.22Å; T259-V263 HydrophobicContact CG2-CG2 4.31Å; T259-V263 VanDerWaalsContact O-CG2 3.3Å; T259-V263 WeakPolarHBondContact O-CG2 3.44Å; T259-V263 PolarHBondContact O-N 2.71Å; T259-Y302 HydrophobicContact CG2-CE1 4.27Å; T259-Y302 PolarHBondContact N-OH 2.98Å; T259-Y302 PolarHBondContact OG1-OH 2.99Å; T259-Y302 VanDerWaalsContact OG1-OH 3.04Å; T259-F307 HydrophobicContact CG2-CZ 4.12Å |
| 260 | T | 89.6 | Confident | 87.1 | Confident | 10 Ų | 10 | 20.9 Ų | 20.9 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.5 | -55 | 0 | 0 | 0 | 0 | 111.4 | Y24 I248 C251 S252 S256 A257 L258 G264 | Y24-T260 HydrophobicContact CD1-CG2 4.45Å; Y24-T260 HydrophobicContact CE1-CG2 4.08Å; Y24-T260 WeakPolarHBondContact CE1-O 3.26Å; I248-T260 HydrophobicContact CG2-CG2 4.25Å; C251-T260 PolarHBondContact SG-OG1 3.13Å; C251-T260 VanDerWaalsContact SG-OG1 3.41Å; S252-T260 PolarHBondContact N-OG1 3.43Å; S252-T260 PolarHBondContact OG-OG1 3.45Å; S256-T260 PolarHBondContact O-N 3.36Å; S256-T260 VanDerWaalsContact O-N 3.14Å; S256-T260 PolarHBondContact O-OG1 2.9Å; A257-T260 PolarHBondContact O-N 3.23Å; L258-T260 PolarHBondContact O-N 3.44Å; T260-G264 PolarHBondContact O-N 3.06Å |
| 261 | T | 89.1 | Confident | 86.7 | Confident | 38 Ų | 38 | 21.8 Ų | 21.8 | 23% | 0.233 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 176.8 | -53 | 0 | 0 | 0 | 0 | 111.7 | T117 I118 A257 L258 T259 G264 A265 | T117-T261 HydrophobicContact CG2-CG2 3.98Å; I118-T261 HydrophobicContact CB-CG2 4.46Å; I118-T261 HydrophobicContact CG1-CG2 3.68Å; A257-T261 PolarHBondContact O-N 3.09Å; A257-T261 PolarHBondContact O-OG1 3.13Å; L258-T261 PolarHBondContact O-N 3.31Å; T259-T261 VanDerWaalsContact C-N 3.31Å; T259-T261 PolarHBondContact O-N 2.8Å; T261-G264 PolarHBondContact O-N 3.32Å; T261-A265 WeakPolarHBondContact O-CB 3.31Å; T261-A265 PolarHBondContact O-N 3.3Å |
| 262 | V | 89.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -45.7 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | I118 I144 L258 T259 G264 A265 I266 Y302 | I118-V262 HydrophobicContact CG1-CG2 4.49Å; I118-V262 HydrophobicContact CG2-CG2 3.69Å; I144-V262 HydrophobicContact CD1-CG1 4.43Å; I144-V262 HydrophobicContact CD1-CG2 4.44Å; L258-V262 HydrophobicContact CD1-CG2 4.31Å; L258-V262 HydrophobicContact CG-CG2 4.5Å; L258-V262 WeakPolarHBondContact O-CG2 3.48Å; L258-V262 PolarHBondContact O-N 3.27Å; T259-V262 PolarHBondContact O-N 3.22Å; V262-G264 VanDerWaalsContact C-N 3.29Å; V262-G264 PolarHBondContact O-N 2.99Å; V262-A265 WeakPolarHBondContact O-CB 3.44Å; V262-A265 PolarHBondContact O-N 2.94Å; V262-A265 VanDerWaalsContact O-N 3.09Å; V262-I266 HydrophobicContact CG1-CD1 4Å; V262-I266 HydrophobicContact CG1-CG1 4.38Å; V262-I266 WeakPolarHBondContact O-CG1 3.48Å; V262-I266 PolarHBondContact O-N 3.42Å; V262-Y302 HydrophobicContact CB-CD1 3.79Å; V262-Y302 HydrophobicContact CB-CE1 3.98Å; V262-Y302 HydrophobicContact CB-CG 4.41Å; V262-Y302 HydrophobicContact CG1-CD1 3.53Å; V262-Y302 HydrophobicContact CG1-CE1 4.22Å; V262-Y302 HydrophobicContact CG1-CG 3.99Å; V262-Y302 HydrophobicContact CG2-CD1 3.85Å; V262-Y302 HydrophobicContact CG2-CD2 4.32Å; V262-Y302 HydrophobicContact CG2-CE1 3.96Å; V262-Y302 HydrophobicContact CG2-CE2 4.39Å; V262-Y302 HydrophobicContact CG2-CG 4.07Å |
| 263 | V | 90.3 | Very high | 85.9 | Confident | 12 Ų | 12 | 24.5 Ų | 24.5 | 7% | 0.073 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | A21 Y24 A25 T259 A265 I266 K267 | A21-V263 HydrophobicContact CB-CG2 4.09Å; Y24-V263 HydrophobicContact CD1-CB 4.09Å; Y24-V263 HydrophobicContact CD1-CG1 3.59Å; Y24-V263 HydrophobicContact CE1-CB 4.14Å; Y24-V263 HydrophobicContact CE1-CG1 3.94Å; A25-V263 HydrophobicContact CB-CG1 3.99Å; T259-V263 HydrophobicContact CG2-CG2 4.31Å; T259-V263 VanDerWaalsContact O-CG2 3.3Å; T259-V263 WeakPolarHBondContact O-CG2 3.44Å; T259-V263 PolarHBondContact O-N 2.71Å; V263-A265 VanDerWaalsContact C-N 3.33Å; V263-A265 PolarHBondContact O-N 3.21Å; V263-I266 PolarHBondContact O-N 3.35Å; V263-K267 PolarHBondContact O-N 3.1Å |
| 264 | G | 87.6 | Confident | 85.6 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y24 T260 T261 V262 K267 N268 | Y24-G264 WeakPolarHBondContact OH-CA 3.43Å; T260-G264 PolarHBondContact O-N 3.06Å; T261-G264 PolarHBondContact O-N 3.32Å; V262-G264 VanDerWaalsContact C-N 3.29Å; V262-G264 PolarHBondContact O-N 2.99Å; G264-K267 PolarHBondContact O-N 3.04Å; G264-N268 VanDerWaalsContact O-CG 3.3Å; G264-N268 PolarHBondContact O-N 3.29Å |
| 265 | A | 87.8 | Confident | 85.1 | Confident | 16 Ų | 16 | 23.4 Ų | 23.4 | 13% | 0.132 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I118 T261 V262 V263 K267 N268 V269 | I118-A265 HydrophobicContact CD1-CB 3.71Å; T261-A265 WeakPolarHBondContact O-CB 3.31Å; T261-A265 PolarHBondContact O-N 3.3Å; V262-A265 WeakPolarHBondContact O-CB 3.44Å; V262-A265 PolarHBondContact O-N 2.94Å; V262-A265 VanDerWaalsContact O-N 3.09Å; V263-A265 VanDerWaalsContact C-N 3.33Å; V263-A265 PolarHBondContact O-N 3.21Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-K267 PolarHBondContact O-N 3.36Å; A265-N268 WeakPolarHBondContact O-CB 3.46Å; A265-N268 PolarHBondContact O-N 3.06Å; A265-V269 WeakPolarHBondContact O-CG2 3.49Å; A265-V269 PolarHBondContact O-N 3.15Å |
| 266 | I | 87.9 | Confident | 84.3 | Confident | 29 Ų | 29 | 24.5 Ų | 24.5 | 15% | 0.149 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.9 | -48.7 | 174.1 | -68.1 | 168.4 | 0 | 0 | 0 | 110 | V262 V263 N268 V269 A270 M296 G299 S303 | V262-I266 HydrophobicContact CG1-CD1 4Å; V262-I266 HydrophobicContact CG1-CG1 4.38Å; V262-I266 WeakPolarHBondContact O-CG1 3.48Å; V262-I266 PolarHBondContact O-N 3.42Å; V263-I266 PolarHBondContact O-N 3.35Å; I266-N268 VanDerWaalsContact C-N 3.3Å; I266-N268 PolarHBondContact O-N 3.43Å; I266-V269 PolarHBondContact O-N 3.42Å; I266-A270 PolarHBondContact O-N 2.97Å; I266-M296 HydrophobicContact CG2-CE 3.66Å; I266-M296 HydrophobicContact CG2-SD 3.84Å; I266-G299 VanDerWaalsContact CD1-C 3.45Å; I266-G299 WeakPolarHBondContact CD1-O 3.44Å; I266-S303 WeakPolarHBondContact CD1-OG 3.04Å |
| 267 | K | 87.3 | Confident | 83.5 | Confident | 26 Ų | 26 | 31.7 Ų | 31.7 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 176.5 | -178.4 | -113.1 | 66.6 | 175.7 | 0 | 111.9 | S28 V263 G264 A265 V269 A270 V271 | S28-K267 WeakPolarHBondContact OG-CD 3.5Å; V263-K267 PolarHBondContact O-N 3.1Å; G264-K267 PolarHBondContact O-N 3.04Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-K267 PolarHBondContact O-N 3.36Å; K267-V269 VanDerWaalsContact C-N 3.3Å; K267-V269 PolarHBondContact O-N 2.84Å; K267-A270 PolarHBondContact O-N 3.12Å; K267-V271 HydrophobicContact CD-CG2 4.44Å; K267-V271 WeakPolarHBondContact O-CG2 3.27Å; K267-V271 PolarHBondContact O-N 2.95Å |
| 268 | N | 83.5 | Confident | 82.5 | Confident | 79 Ų | 79 | 37.3 Ų | 37.3 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 178.5 | -74.9 | -19.1 | 0 | 0 | 0 | 111.2 | G264 A265 I266 V271 A272 | G264-N268 VanDerWaalsContact O-CG 3.3Å; G264-N268 PolarHBondContact O-N 3.29Å; A265-N268 WeakPolarHBondContact O-CB 3.46Å; A265-N268 PolarHBondContact O-N 3.06Å; I266-N268 VanDerWaalsContact C-N 3.3Å; I266-N268 PolarHBondContact O-N 3.43Å; N268-V271 PolarHBondContact O-N 2.8Å; N268-A272 WeakPolarHBondContact O-CB 3.46Å; N268-A272 PolarHBondContact O-N 2.96Å |
| 269 | V | 83.2 | Confident | 81 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 175.7 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | A265 I266 K267 V271 A272 Y273 L292 M296 | A265-V269 WeakPolarHBondContact O-CG2 3.49Å; A265-V269 PolarHBondContact O-N 3.15Å; I266-V269 PolarHBondContact O-N 3.42Å; K267-V269 VanDerWaalsContact C-N 3.3Å; K267-V269 PolarHBondContact O-N 2.84Å; V269-V271 PolarHBondContact O-N 3.39Å; V269-A272 WeakPolarHBondContact O-CB 3.33Å; V269-A272 PolarHBondContact O-N 3.39Å; V269-A272 VanDerWaalsContact O-N 3.15Å; V269-Y273 HydrophobicContact CG1-CD2 3.91Å; V269-Y273 HydrophobicContact CG1-CE2 3.48Å; V269-Y273 VanDerWaalsContact CG1-CE2 3.48Å; V269-Y273 WeakPolarHBondContact O-CD2 3.47Å; V269-Y273 PolarHBondContact O-N 3.46Å; V269-L292 HydrophobicContact CG1-CB 4.39Å; V269-L292 HydrophobicContact CG2-CD2 4.25Å; V269-M296 HydrophobicContact CB-SD 4.08Å; V269-M296 HydrophobicContact CG1-CB 4.02Å; V269-M296 HydrophobicContact CG1-CG 4.4Å; V269-M296 HydrophobicContact CG1-SD 3.99Å |
| 270 | A | 83.9 | Confident | 79.2 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I266 K267 A272 Y273 I274 | I266-A270 PolarHBondContact O-N 2.97Å; K267-A270 PolarHBondContact O-N 3.12Å; A270-A272 VanDerWaalsContact C-N 3.32Å; A270-A272 PolarHBondContact O-N 2.96Å; A270-Y273 PolarHBondContact O-N 3.03Å; A270-I274 WeakPolarHBondContact O-CG1 3.11Å; A270-I274 PolarHBondContact O-N 3.33Å |
| 271 | V | 79.1 | Confident | 77.3 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 174.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | F29 T32 K267 N268 V269 I274 G275 | F29-V271 HydrophobicContact CD2-CG2 4.02Å; F29-V271 HydrophobicContact CE2-CG2 4.45Å; T32-V271 HydrophobicContact CG2-CG1 4.19Å; K267-V271 HydrophobicContact CD-CG2 4.44Å; K267-V271 WeakPolarHBondContact O-CG2 3.27Å; K267-V271 PolarHBondContact O-N 2.95Å; N268-V271 PolarHBondContact O-N 2.8Å; V269-V271 PolarHBondContact O-N 3.39Å; V271-I274 PolarHBondContact O-N 3.13Å; V271-G275 PolarHBondContact O-N 2.94Å |
| 272 | A | 77.9 | Confident | 75.7 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 21% | 0.207 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N268 V269 A270 G275 I276 | N268-A272 WeakPolarHBondContact O-CB 3.46Å; N268-A272 PolarHBondContact O-N 2.96Å; V269-A272 WeakPolarHBondContact O-CB 3.33Å; V269-A272 PolarHBondContact O-N 3.39Å; V269-A272 VanDerWaalsContact O-N 3.15Å; A270-A272 VanDerWaalsContact C-N 3.32Å; A270-A272 PolarHBondContact O-N 2.96Å; A272-G275 CarbonylContact O-C 3.53Å; A272-G275 WeakPolarHBondContact O-CA 3.43Å; A272-G275 PolarHBondContact O-N 2.8Å; A272-G275 VanDerWaalsContact O-N 3.13Å; A272-I276 WeakPolarHBondContact O-CG1 3.46Å; A272-I276 PolarHBondContact O-N 3.49Å |
| 273 | Y | 79.3 | Confident | 74.2 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 16% | 0.161 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 174.6 | -74.9 | -49.8 | 0 | 0 | 0 | 112.5 | V269 A270 G275 I276 F277 F289 S293 | V269-Y273 HydrophobicContact CG1-CD2 3.91Å; V269-Y273 HydrophobicContact CG1-CE2 3.48Å; V269-Y273 VanDerWaalsContact CG1-CE2 3.48Å; V269-Y273 WeakPolarHBondContact O-CD2 3.47Å; V269-Y273 PolarHBondContact O-N 3.46Å; A270-Y273 PolarHBondContact O-N 3.03Å; Y273-G275 PolarHBondContact O-N 2.88Å; Y273-I276 HydrophobicContact CD1-CD1 4.32Å; Y273-I276 PolarHBondContact O-N 3.02Å; Y273-F277 WeakPolarHBondContact O-CD2 3.44Å; Y273-F277 PolarHBondContact O-N 3.42Å; Y273-F289 HydrophobicContact CD1-CD2 4.36Å; Y273-F289 AromaticContact CD1-CE2 4Å; Y273-F289 HydrophobicContact CD1-CE2 4Å; Y273-F289 AromaticContact CE1-CD2 3.71Å; Y273-F289 HydrophobicContact CE1-CD2 3.71Å; Y273-F289 AromaticContact CE1-CE2 3.41Å; Y273-F289 HydrophobicContact CE1-CE2 3.41Å; Y273-F289 VanDerWaalsContact CE1-CE2 3.41Å; Y273-F289 HydrophobicContact CE1-CZ 4.25Å; Y273-S293 WeakPolarHBondContact OH-CA 3.47Å; Y273-S293 WeakPolarHBondContact OH-CB 3.31Å; Y273-S293 PolarHBondContact OH-N 3.46Å; Y273-S293 PolarHBondContact OH-OG 3.18Å |
| 274 | I | 79.5 | Confident | 73 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 42% | 0.415 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 175 | -64.6 | 165.5 | 0 | 0 | 0 | 109.9 | F29 A270 V271 I276 F277 V278 | F29-I274 HydrophobicContact CE2-CD1 3.65Å; F29-I274 HydrophobicContact CZ-CD1 4.2Å; A270-I274 WeakPolarHBondContact O-CG1 3.11Å; A270-I274 PolarHBondContact O-N 3.33Å; V271-I274 PolarHBondContact O-N 3.13Å; I274-I276 PolarHBondContact O-N 3.03Å; I274-F277 PolarHBondContact O-N 2.85Å; I274-V278 HydrophobicContact CG2-CG2 4.14Å; I274-V278 WeakPolarHBondContact O-CB 3.43Å; I274-V278 WeakPolarHBondContact O-CG2 3.37Å; I274-V278 PolarHBondContact O-N 3.49Å |
| 275 | G | 72.1 | Confident | 72.5 | Confident | 28 Ų | 28 | 65 Ų | 65 | 29% | 0.289 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V271 A272 Y273 G279 | V271-G275 PolarHBondContact O-N 2.94Å; A272-G275 CarbonylContact O-C 3.53Å; A272-G275 WeakPolarHBondContact O-CA 3.43Å; A272-G275 PolarHBondContact O-N 2.8Å; A272-G275 VanDerWaalsContact O-N 3.13Å; Y273-G275 PolarHBondContact O-N 2.88Å; G275-G279 CarbonylContact O-C 3.55Å; G275-G279 WeakPolarHBondContact O-CA 3.27Å; G275-G279 PolarHBondContact O-N 2.98Å; G275-G279 VanDerWaalsContact O-O 3.07Å |
| 276 | I | 72.3 | Confident | 72.2 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 16% | 0.164 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 176.8 | -68.7 | 163.7 | 0 | 0 | 0 | 111.4 | A272 Y273 I274 Y282 F284 | A272-I276 WeakPolarHBondContact O-CG1 3.46Å; A272-I276 PolarHBondContact O-N 3.49Å; Y273-I276 HydrophobicContact CD1-CD1 4.32Å; Y273-I276 PolarHBondContact O-N 3.02Å; I274-I276 PolarHBondContact O-N 3.03Å; I276-Y282 HydrophobicContact CD1-CD1 4.15Å; I276-Y282 HydrophobicContact CD1-CE1 3.9Å; I276-Y282 HydrophobicContact CG1-CD1 3.49Å; I276-Y282 VanDerWaalsContact CG1-CD1 3.49Å; I276-Y282 HydrophobicContact CG1-CD2 4.44Å; I276-Y282 HydrophobicContact CG1-CE1 3.76Å; I276-Y282 HydrophobicContact CG1-CG 3.84Å; I276-F284 HydrophobicContact CG2-CD2 3.85Å; I276-F284 HydrophobicContact CG2-CE2 4.39Å |
| 277 | F | 69.1 | Low | 72 | Confident | 159 Ų | 159 | 75.5 Ų | 75.5 | 70% | 0.697 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -82 | -26.8 | -176.3 | -72.2 | -69.6 | 0 | 0 | 0 | 113.8 | Y273 I274 | Y273-F277 WeakPolarHBondContact O-CD2 3.44Å; Y273-F277 PolarHBondContact O-N 3.42Å; I274-F277 PolarHBondContact O-N 2.85Å |
| 278 | V | 66.2 | Low | 71.6 | Confident | 120 Ų | 120 | 75 Ų | 75 | 73% | 0.727 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -114.8 | -25.7 | -172.5 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | I274 | I274-V278 HydrophobicContact CG2-CG2 4.14Å; I274-V278 WeakPolarHBondContact O-CB 3.43Å; I274-V278 WeakPolarHBondContact O-CG2 3.37Å; I274-V278 PolarHBondContact O-N 3.49Å |
| 279 | G | 55.3 | Low | 71.5 | Confident | 24 Ų | 24 | 74 Ų | 74 | 25% | 0.247 | 40% | 0.404 | C | S | . | . | trans | -99.1 | 111 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G275 D281 | G275-G279 CarbonylContact O-C 3.55Å; G275-G279 WeakPolarHBondContact O-CA 3.27Å; G275-G279 PolarHBondContact O-N 2.98Å; G275-G279 VanDerWaalsContact O-O 3.07Å; G279-D281 PolarHBondContact O-N 3.45Å | ||
| 280 | G | 52.9 | Low | 71.8 | Confident | 83 Ų | 83 | 78.7 Ų | 78.7 | 86% | 0.856 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -2.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 281 | D | 48.7 | Very low | 72 | Confident | 168 Ų | 168 | 77 Ų | 77 | 90% | 0.898 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.2 | -172.9 | -54.6 | -41.6 | 0 | 0 | 0 | 114 | G279 | G279-D281 PolarHBondContact O-N 3.45Š|
| 282 | Y | 56.9 | Low | 72.3 | Confident | 61 Ų | 61 | 75.2 Ų | 75.2 | 24% | 0.239 | 40% | 0.403 | C | S | . | . | trans | -93.2 | 118.6 | 179.2 | -163.3 | -93.5 | 0 | 0 | 0 | 112 | P108 I276 F284 N288 | P108-Y282 HydrophobicContact CB-CE2 4.26Å; P108-Y282 HydrophobicContact CG-CE2 3.83Å; I276-Y282 HydrophobicContact CD1-CD1 4.15Å; I276-Y282 HydrophobicContact CD1-CE1 3.9Å; I276-Y282 HydrophobicContact CG1-CD1 3.49Å; I276-Y282 VanDerWaalsContact CG1-CD1 3.49Å; I276-Y282 HydrophobicContact CG1-CD2 4.44Å; I276-Y282 HydrophobicContact CG1-CE1 3.76Å; I276-Y282 HydrophobicContact CG1-CG 3.84Å; Y282-F284 PolarHBondContact O-N 2.7Å; Y282-N288 PolarHBondContact OH-OD1 3.43Å | ||
| 283 | M | 57.6 | Low | 72.8 | Confident | 178 Ų | 178 | 75.5 Ų | 75.5 | 88% | 0.877 | 40% | 0.404 | S | S | * | . | trans | -71.1 | 92.7 | 169.8 | -63.9 | -161.1 | 80.9 | 0 | 0 | 109.7 | S285 | M283-S285 PolarHBondContact O-N 2.95Š| ||
| 284 | F | 65.7 | Low | 73.5 | Confident | 92 Ų | 92 | 75.5 Ų | 75.5 | 40% | 0.404 | 41% | 0.407 | S | S | . | . | trans | -62.3 | 123.8 | 179.5 | -179.7 | -97.1 | 0 | 0 | 0 | 111.1 | I276 Y282 W286 F289 | I276-F284 HydrophobicContact CG2-CD2 3.85Å; I276-F284 HydrophobicContact CG2-CE2 4.39Å; Y282-F284 PolarHBondContact O-N 2.7Å; F284-W286 AromaticContact CE1-CD2 3.73Å; F284-W286 HydrophobicContact CE1-CD2 3.73Å; F284-W286 AromaticContact CE1-CE2 3.7Å; F284-W286 HydrophobicContact CE1-CE3 4.1Å; F284-W286 HydrophobicContact CE1-CG 4.1Å; F284-W286 HydrophobicContact CE1-CH2 4.4Å; F284-W286 HydrophobicContact CE1-CZ2 4.06Å; F284-W286 HydrophobicContact CE1-CZ3 4.42Å; F284-W286 AromaticContact CE1-NE1 4Å; F284-W286 HydrophobicContact CZ-CD2 4.07Å; F284-W286 AromaticContact CZ-CE3 3.96Å; F284-W286 HydrophobicContact CZ-CE3 3.96Å; F284-W286 HydrophobicContact CZ-CH2 4.37Å; F284-W286 HydrophobicContact CZ-CZ2 4.47Å; F284-W286 HydrophobicContact CZ-CZ3 4.11Å; F284-F289 HydrophobicContact CE2-CB 3.77Å; F284-F289 AromaticContact CE2-CD2 3.72Å; F284-F289 HydrophobicContact CE2-CD2 3.72Å; F284-F289 AromaticContact CE2-CG 3.84Å; F284-F289 HydrophobicContact CE2-CG 3.84Å; F284-F289 HydrophobicContact CZ-CB 4.02Å; F284-F289 HydrophobicContact CZ-CD2 4.35Å; F284-F289 HydrophobicContact CZ-CG 4.1Å | ||
| 285 | S | 76.4 | Confident | 74 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 30% | 0.301 | 39% | 0.388 | S | S | . | . | trans | -123.5 | 130.7 | 170.8 | 168.5 | 0 | 0 | 0 | 0 | 109.2 | M283 I287 N288 F289 | M283-S285 PolarHBondContact O-N 2.95Å; S285-I287 PolarHBondContact O-N 3.35Å; S285-N288 PolarHBondContact O-N 2.98Å; S285-F289 PolarHBondContact O-N 3.48Å | ||
| 286 | W | 81.1 | Confident | 74.8 | Confident | 192 Ų | 192 | 72.5 Ų | 72.5 | 73% | 0.727 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.2 | -36.8 | 179.9 | -78.1 | 108.6 | 0 | 0 | 0 | 112.9 | F284 F289 L290 | F284-W286 AromaticContact CE1-CD2 3.73Å; F284-W286 HydrophobicContact CE1-CD2 3.73Å; F284-W286 AromaticContact CE1-CE2 3.7Å; F284-W286 HydrophobicContact CE1-CE3 4.1Å; F284-W286 HydrophobicContact CE1-CG 4.1Å; F284-W286 HydrophobicContact CE1-CH2 4.4Å; F284-W286 HydrophobicContact CE1-CZ2 4.06Å; F284-W286 HydrophobicContact CE1-CZ3 4.42Å; F284-W286 AromaticContact CE1-NE1 4Å; F284-W286 HydrophobicContact CZ-CD2 4.07Å; F284-W286 AromaticContact CZ-CE3 3.96Å; F284-W286 HydrophobicContact CZ-CE3 3.96Å; F284-W286 HydrophobicContact CZ-CH2 4.37Å; F284-W286 HydrophobicContact CZ-CZ2 4.47Å; F284-W286 HydrophobicContact CZ-CZ3 4.11Å; W286-F289 PolarHBondContact O-N 2.68Å; W286-L290 WeakPolarHBondContact O-CB 3.29Å; W286-L290 PolarHBondContact O-N 3.44Å |
| 287 | I | 83.1 | Confident | 75.8 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.3 | -42.5 | -179.8 | -63.8 | 168.1 | 0 | 0 | 0 | 110.4 | V150 S285 L290 G291 | V150-I287 HydrophobicContact CG1-CG2 4.35Å; V150-I287 WeakPolarHBondContact O-CG2 3.41Å; S285-I287 PolarHBondContact O-N 3.35Å; I287-L290 PolarHBondContact O-N 3.46Å; I287-G291 PolarHBondContact O-N 3.16Å |
| 288 | N | 79.5 | Confident | 76.9 | Confident | 14 Ų | 14 | 66.6 Ų | 66.6 | 8% | 0.075 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.6 | -178.1 | -84.2 | 0 | 0 | 0 | 111.3 | Y282 S285 G291 L292 | Y282-N288 PolarHBondContact OH-OD1 3.43Å; S285-N288 PolarHBondContact O-N 2.98Å; N288-G291 PolarHBondContact O-N 3.17Å; N288-L292 WeakPolarHBondContact O-CB 3.25Å; N288-L292 VanDerWaalsContact O-CG 3.29Å; N288-L292 WeakPolarHBondContact O-CG 3.33Å; N288-L292 PolarHBondContact O-N 3.46Å; N288-L292 VanDerWaalsContact OD1-CD1 3.27Å; N288-L292 WeakPolarHBondContact OD1-CD1 3.16Å |
| 289 | F | 82.8 | Confident | 78.1 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 25% | 0.254 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 175.8 | 179.4 | -94.5 | 0 | 0 | 0 | 112.3 | Y273 F284 S285 W286 L292 S293 | Y273-F289 HydrophobicContact CD1-CD2 4.36Å; Y273-F289 AromaticContact CD1-CE2 4Å; Y273-F289 HydrophobicContact CD1-CE2 4Å; Y273-F289 AromaticContact CE1-CD2 3.71Å; Y273-F289 HydrophobicContact CE1-CD2 3.71Å; Y273-F289 AromaticContact CE1-CE2 3.41Å; Y273-F289 HydrophobicContact CE1-CE2 3.41Å; Y273-F289 VanDerWaalsContact CE1-CE2 3.41Å; Y273-F289 HydrophobicContact CE1-CZ 4.25Å; F284-F289 HydrophobicContact CE2-CB 3.77Å; F284-F289 AromaticContact CE2-CD2 3.72Å; F284-F289 HydrophobicContact CE2-CD2 3.72Å; F284-F289 AromaticContact CE2-CG 3.84Å; F284-F289 HydrophobicContact CE2-CG 3.84Å; F284-F289 HydrophobicContact CZ-CB 4.02Å; F284-F289 HydrophobicContact CZ-CD2 4.35Å; F284-F289 HydrophobicContact CZ-CG 4.1Å; S285-F289 PolarHBondContact O-N 3.48Å; W286-F289 PolarHBondContact O-N 2.68Å; F289-L292 PolarHBondContact O-N 2.91Å; F289-S293 WeakPolarHBondContact O-CB 3.4Å; F289-S293 PolarHBondContact O-N 3.4Å; F289-S293 PolarHBondContact O-OG 2.93Å |
| 290 | L | 88.7 | Confident | 79.8 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 177.5 | -172 | 74.6 | 0 | 0 | 0 | 111.1 | V150 W286 I287 L292 S293 I294 | V150-L290 HydrophobicContact CG1-CD2 4.4Å; W286-L290 WeakPolarHBondContact O-CB 3.29Å; W286-L290 PolarHBondContact O-N 3.44Å; I287-L290 PolarHBondContact O-N 3.46Å; L290-L292 PolarHBondContact O-N 3.11Å; L290-S293 WeakPolarHBondContact O-CB 3.5Å; L290-S293 PolarHBondContact O-N 3.37Å; L290-S293 VanDerWaalsContact O-N 3.17Å; L290-I294 HydrophobicContact CG-CD1 4.29Å; L290-I294 WeakPolarHBondContact O-CG1 3Å; L290-I294 PolarHBondContact O-N 3.3Å |
| 291 | G | 88 | Confident | 81.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G147 I287 N288 S293 I294 C295 | G147-G291 CarbonylContact C-O 3.51Å; G147-G291 CarbonylContact O-C 3.44Å; G147-G291 WeakPolarHBondContact O-CA 3.48Å; I287-G291 PolarHBondContact O-N 3.16Å; N288-G291 PolarHBondContact O-N 3.17Å; G291-S293 VanDerWaalsContact C-N 3.32Å; G291-S293 PolarHBondContact O-N 3.17Å; G291-I294 PolarHBondContact O-N 3.49Å; G291-C295 PolarHBondContact O-N 2.92Å; G291-C295 PolarHBondContact O-SG 3.46Å |
| 292 | L | 84.9 | Confident | 83.8 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 173.5 | -72.8 | 176.1 | 0 | 0 | 0 | 112.3 | V269 N288 F289 L290 C295 M296 | V269-L292 HydrophobicContact CG1-CB 4.39Å; V269-L292 HydrophobicContact CG2-CD2 4.25Å; N288-L292 WeakPolarHBondContact O-CB 3.25Å; N288-L292 VanDerWaalsContact O-CG 3.29Å; N288-L292 WeakPolarHBondContact O-CG 3.33Å; N288-L292 PolarHBondContact O-N 3.46Å; N288-L292 VanDerWaalsContact OD1-CD1 3.27Å; N288-L292 WeakPolarHBondContact OD1-CD1 3.16Å; F289-L292 PolarHBondContact O-N 2.91Å; L290-L292 PolarHBondContact O-N 3.11Å; L292-C295 WeakPolarHBondContact O-CB 3.43Å; L292-C295 PolarHBondContact O-N 3.11Å; L292-M296 PolarHBondContact O-N 3.48Å |
| 293 | S | 89.7 | Confident | 85.3 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | Y273 F289 L290 G291 C295 M296 S297 | Y273-S293 WeakPolarHBondContact OH-CA 3.47Å; Y273-S293 WeakPolarHBondContact OH-CB 3.31Å; Y273-S293 PolarHBondContact OH-N 3.46Å; Y273-S293 PolarHBondContact OH-OG 3.18Å; F289-S293 WeakPolarHBondContact O-CB 3.4Å; F289-S293 PolarHBondContact O-N 3.4Å; F289-S293 PolarHBondContact O-OG 2.93Å; L290-S293 WeakPolarHBondContact O-CB 3.5Å; L290-S293 PolarHBondContact O-N 3.37Å; L290-S293 VanDerWaalsContact O-N 3.17Å; G291-S293 VanDerWaalsContact C-N 3.32Å; G291-S293 PolarHBondContact O-N 3.17Å; S293-C295 VanDerWaalsContact C-N 3.31Å; S293-C295 PolarHBondContact O-N 3.47Å; S293-M296 WeakPolarHBondContact O-CB 3.38Å; S293-M296 PolarHBondContact O-N 2.92Å; S293-S297 PolarHBondContact O-N 3.29Å; S293-S297 PolarHBondContact O-OG 3.14Å; S293-S297 VanDerWaalsContact O-OG 3.13Å |
| 294 | I | 92.3 | Very high | 86.8 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 174 | -64.8 | 165.9 | 0 | 0 | 0 | 110.4 | M143 F146 L290 G291 M296 S297 G298 | M143-I294 HydrophobicContact CG-CG2 3.93Å; F146-I294 HydrophobicContact CD1-CG2 4.29Å; F146-I294 HydrophobicContact CE1-CD1 4.43Å; L290-I294 HydrophobicContact CG-CD1 4.29Å; L290-I294 WeakPolarHBondContact O-CG1 3Å; L290-I294 PolarHBondContact O-N 3.3Å; G291-I294 PolarHBondContact O-N 3.49Å; I294-M296 VanDerWaalsContact C-N 3.34Å; I294-M296 PolarHBondContact O-N 2.94Å; I294-S297 PolarHBondContact O-N 3.48Å; I294-G298 PolarHBondContact O-N 3.18Å |
| 295 | C | 90.2 | Very high | 87.8 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.034 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 176.5 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | K115 I144 A148 G291 L292 S293 G298 G299 | K115-C295 HydrophobicContact CD-CB 4.11Å; K115-C295 WeakPolarHBondContact CD-SG 3.4Å; I144-C295 HydrophobicContact CG2-CB 4.42Å; I144-C295 PolarHBondContact O-SG 3.31Å; A148-C295 PolarHBondContact N-SG 3.02Å; G291-C295 PolarHBondContact O-N 2.92Å; G291-C295 PolarHBondContact O-SG 3.46Å; L292-C295 WeakPolarHBondContact O-CB 3.43Å; L292-C295 PolarHBondContact O-N 3.11Å; S293-C295 VanDerWaalsContact C-N 3.31Å; S293-C295 PolarHBondContact O-N 3.47Å; C295-G298 PolarHBondContact O-N 3Å; C295-G299 PolarHBondContact O-N 3.11Å |
| 296 | M | 89.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 20% | 0.197 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -49.3 | 177.7 | -170 | 65.5 | -179.6 | 0 | 0 | 110.3 | I266 V269 L292 S293 I294 G298 G299 L300 | I266-M296 HydrophobicContact CG2-CE 3.66Å; I266-M296 HydrophobicContact CG2-SD 3.84Å; V269-M296 HydrophobicContact CB-SD 4.08Å; V269-M296 HydrophobicContact CG1-CB 4.02Å; V269-M296 HydrophobicContact CG1-CG 4.4Å; V269-M296 HydrophobicContact CG1-SD 3.99Å; L292-M296 PolarHBondContact O-N 3.48Å; S293-M296 WeakPolarHBondContact O-CB 3.38Å; S293-M296 PolarHBondContact O-N 2.92Å; I294-M296 VanDerWaalsContact C-N 3.34Å; I294-M296 PolarHBondContact O-N 2.94Å; M296-G298 PolarHBondContact O-N 2.9Å; M296-G299 PolarHBondContact O-N 2.91Å; M296-L300 HydrophobicContact CE-CD1 4.18Å; M296-L300 HydrophobicContact CE-CD2 4.33Å; M296-L300 HydrophobicContact CE-CG 4.31Å; M296-L300 HydrophobicContact CG-CD1 4.15Å; M296-L300 WeakPolarHBondContact O-CG 3.47Å; M296-L300 PolarHBondContact O-N 3.44Å |
| 297 | S | 92.8 | Very high | 88.4 | Confident | 67 Ų | 67 | 40.1 Ų | 40.1 | 47% | 0.469 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 177.8 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | S293 I294 G299 L300 A301 | S293-S297 PolarHBondContact O-N 3.29Å; S293-S297 PolarHBondContact O-OG 3.14Å; S293-S297 VanDerWaalsContact O-OG 3.13Å; I294-S297 PolarHBondContact O-N 3.48Å; S297-G299 PolarHBondContact O-N 2.9Å; S297-L300 PolarHBondContact O-N 3.39Å; S297-A301 WeakPolarHBondContact O-CB 3.2Å; S297-A301 PolarHBondContact O-N 3.26Å |
| 298 | G | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | I294 C295 M296 A301 Y302 | I294-G298 PolarHBondContact O-N 3.18Å; C295-G298 PolarHBondContact O-N 3Å; M296-G298 PolarHBondContact O-N 2.9Å; G298-A301 PolarHBondContact O-N 2.71Å; G298-Y302 WeakPolarHBondContact O-CB 3.18Å; G298-Y302 PolarHBondContact O-N 2.93Å |
| 299 | G | 91 | Very high | 87.6 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | I266 C295 M296 S297 Y302 S303 | I266-G299 VanDerWaalsContact CD1-C 3.45Å; I266-G299 WeakPolarHBondContact CD1-O 3.44Å; C295-G299 PolarHBondContact O-N 3.11Å; M296-G299 PolarHBondContact O-N 2.91Å; S297-G299 PolarHBondContact O-N 2.9Å; G299-Y302 PolarHBondContact O-N 3.48Å; G299-S303 WeakPolarHBondContact O-CB 3.36Å; G299-S303 PolarHBondContact O-N 2.92Å; G299-S303 PolarHBondContact O-OG 2.94Å |
| 300 | L | 92.1 | Very high | 86.2 | Confident | 92 Ų | 92 | 40.9 Ų | 40.9 | 48% | 0.482 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 175.5 | -70.5 | 174.9 | 0 | 0 | 0 | 111.4 | M296 S297 S303 Y304 | M296-L300 HydrophobicContact CE-CD1 4.18Å; M296-L300 HydrophobicContact CE-CD2 4.33Å; M296-L300 HydrophobicContact CE-CG 4.31Å; M296-L300 HydrophobicContact CG-CD1 4.15Å; M296-L300 WeakPolarHBondContact O-CG 3.47Å; M296-L300 PolarHBondContact O-N 3.44Å; S297-L300 PolarHBondContact O-N 3.39Å; L300-S303 PolarHBondContact O-N 2.99Å; L300-Y304 WeakPolarHBondContact O-CB 3.41Å; L300-Y304 PolarHBondContact O-N 3.29Å |
| 301 | A | 92.6 | Very high | 83.8 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S297 G298 S303 Y304 L305 | S297-A301 WeakPolarHBondContact O-CB 3.2Å; S297-A301 PolarHBondContact O-N 3.26Å; G298-A301 PolarHBondContact O-N 2.71Å; A301-S303 VanDerWaalsContact C-N 3.31Å; A301-S303 PolarHBondContact O-N 3.31Å; A301-Y304 PolarHBondContact O-N 3.21Å; A301-L305 WeakPolarHBondContact O-CB 3.29Å; A301-L305 VanDerWaalsContact O-CG 3.23Å; A301-L305 WeakPolarHBondContact O-CG 3.33Å; A301-L305 PolarHBondContact O-N 3.26Å |
| 302 | Y | 92.3 | Very high | 81.2 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.5 | -46.1 | 174 | 173.3 | -82.6 | 0 | 0 | 0 | 111.7 | V137 S140 V141 L258 T259 V262 G298 G299 L305 T306 | V137-Y302 HydrophobicContact CG1-CD2 3.8Å; V137-Y302 HydrophobicContact CG1-CE2 3.5Å; S140-Y302 PolarHBondContact OG-N 2.91Å; V141-Y302 HydrophobicContact CG2-CD2 4.17Å; V141-Y302 HydrophobicContact CG2-CE2 4.45Å; L258-Y302 HydrophobicContact CD2-CE2 3.6Å; L258-Y302 HydrophobicContact CG-CE2 3.85Å; L258-Y302 WeakPolarHBondContact CG-OH 3.35Å; T259-Y302 HydrophobicContact CG2-CE1 4.27Å; T259-Y302 PolarHBondContact N-OH 2.98Å; T259-Y302 PolarHBondContact OG1-OH 2.99Å; T259-Y302 VanDerWaalsContact OG1-OH 3.04Å; V262-Y302 HydrophobicContact CB-CD1 3.79Å; V262-Y302 HydrophobicContact CB-CE1 3.98Å; V262-Y302 HydrophobicContact CB-CG 4.41Å; V262-Y302 HydrophobicContact CG1-CD1 3.53Å; V262-Y302 HydrophobicContact CG1-CE1 4.22Å; V262-Y302 HydrophobicContact CG1-CG 3.99Å; V262-Y302 HydrophobicContact CG2-CD1 3.85Å; V262-Y302 HydrophobicContact CG2-CD2 4.32Å; V262-Y302 HydrophobicContact CG2-CE1 3.96Å; V262-Y302 HydrophobicContact CG2-CE2 4.39Å; V262-Y302 HydrophobicContact CG2-CG 4.07Å; G298-Y302 WeakPolarHBondContact O-CB 3.18Å; G298-Y302 PolarHBondContact O-N 2.93Å; G299-Y302 PolarHBondContact O-N 3.48Å; Y302-L305 PolarHBondContact O-N 3.17Å; Y302-T306 HydrophobicContact CE1-CG2 4.48Å; Y302-T306 VanDerWaalsContact CE1-OG1 3.31Å; Y302-T306 WeakPolarHBondContact CE1-OG1 3.05Å; Y302-T306 VanDerWaalsContact O-CB 3.29Å; Y302-T306 WeakPolarHBondContact O-CB 3.3Å; Y302-T306 PolarHBondContact O-N 3.41Å; Y302-T306 PolarHBondContact O-OG1 2.95Å |
| 303 | S | 88 | Confident | 78.8 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | -178 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | I266 G299 L300 A301 L305 T306 F307 | I266-S303 WeakPolarHBondContact CD1-OG 3.04Å; G299-S303 WeakPolarHBondContact O-CB 3.36Å; G299-S303 PolarHBondContact O-N 2.92Å; G299-S303 PolarHBondContact O-OG 2.94Å; L300-S303 PolarHBondContact O-N 2.99Å; A301-S303 VanDerWaalsContact C-N 3.31Å; A301-S303 PolarHBondContact O-N 3.31Å; S303-L305 PolarHBondContact O-N 2.93Å; S303-T306 PolarHBondContact O-N 3.39Å; S303-F307 WeakPolarHBondContact O-CD2 3.48Å; S303-F307 WeakPolarHBondContact O-CG 3.11Å; S303-F307 PolarHBondContact O-N 3.49Å |
| 304 | Y | 88.5 | Confident | 76.1 | Confident | 157 Ų | 157 | 54.4 Ų | 54.4 | 62% | 0.616 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58 | -49.5 | 175.9 | 179.3 | -101.5 | 0 | 0 | 0 | 111.7 | L300 A301 T306 N308 | L300-Y304 WeakPolarHBondContact O-CB 3.41Å; L300-Y304 PolarHBondContact O-N 3.29Å; A301-Y304 PolarHBondContact O-N 3.21Å; Y304-T306 PolarHBondContact O-N 3.08Å; Y304-N308 WeakPolarHBondContact O-CB 3.33Å; Y304-N308 PolarHBondContact O-N 3.12Å; Y304-N308 PolarHBondContact OH-ND2 3.42Å |
| 305 | L | 88.4 | Confident | 73.2 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 178.5 | -69.1 | 168.1 | 0 | 0 | 0 | 111.5 | H136 V137 S140 A301 Y302 S303 F307 S309 | H136-L305 HydrophobicContact CB-CD1 3.64Å; H136-L305 HydrophobicContact CB-CD2 4Å; H136-L305 HydrophobicContact CB-CG 4.44Å; V137-L305 HydrophobicContact CG2-CB 4.37Å; S140-L305 WeakPolarHBondContact OG-CD1 3.41Å; A301-L305 WeakPolarHBondContact O-CB 3.29Å; A301-L305 VanDerWaalsContact O-CG 3.23Å; A301-L305 WeakPolarHBondContact O-CG 3.33Å; A301-L305 PolarHBondContact O-N 3.26Å; Y302-L305 PolarHBondContact O-N 3.17Å; S303-L305 PolarHBondContact O-N 2.93Å; L305-F307 PolarHBondContact O-N 2.95Å; L305-S309 WeakPolarHBondContact O-CB 3.44Å; L305-S309 PolarHBondContact O-N 3.28Å; L305-S309 PolarHBondContact O-OG 2.69Å |
| 306 | T | 85.5 | Confident | 70.2 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | -176.8 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | Y302 S303 Y304 S310 | Y302-T306 HydrophobicContact CE1-CG2 4.48Å; Y302-T306 VanDerWaalsContact CE1-OG1 3.31Å; Y302-T306 WeakPolarHBondContact CE1-OG1 3.05Å; Y302-T306 VanDerWaalsContact O-CB 3.29Å; Y302-T306 WeakPolarHBondContact O-CB 3.3Å; Y302-T306 PolarHBondContact O-N 3.41Å; Y302-T306 PolarHBondContact O-OG1 2.95Å; S303-T306 PolarHBondContact O-N 3.39Å; Y304-T306 PolarHBondContact O-N 3.08Å; T306-S310 PolarHBondContact O-OG 3.14Å |
| 307 | F | 83.1 | Confident | 67.7 | Low | 33 Ų | 33 | 66.5 Ų | 66.5 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -79.7 | -30 | -179.2 | -63.9 | -55.3 | 0 | 0 | 0 | 112.9 | K17 L18 A21 T259 S303 L305 | K17-F307 HydrophobicContact CB-CD1 4.16Å; K17-F307 HydrophobicContact CB-CE1 4.02Å; L18-F307 HydrophobicContact CD1-CD2 4.16Å; L18-F307 HydrophobicContact CD1-CE2 4.22Å; L18-F307 HydrophobicContact CD1-CG 4.48Å; A21-F307 HydrophobicContact CB-CE1 4.45Å; A21-F307 HydrophobicContact CB-CE2 4.48Å; A21-F307 HydrophobicContact CB-CZ 3.7Å; T259-F307 HydrophobicContact CG2-CZ 4.12Å; S303-F307 WeakPolarHBondContact O-CD2 3.48Å; S303-F307 WeakPolarHBondContact O-CG 3.11Å; S303-F307 PolarHBondContact O-N 3.49Å; L305-F307 PolarHBondContact O-N 2.95Å |
| 308 | N | 78.9 | Confident | 64.6 | Low | 62 Ų | 62 | 72.6 Ų | 72.6 | 33% | 0.332 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -85.2 | -29.7 | 179.4 | -156.6 | 32.8 | 0 | 0 | 0 | 113.2 | R14 Y304 S310 Q311 | R14-N308 PolarHBondContact NH2-O 2.87Å; Y304-N308 WeakPolarHBondContact O-CB 3.33Å; Y304-N308 PolarHBondContact O-N 3.12Å; Y304-N308 PolarHBondContact OH-ND2 3.42Å; N308-S310 PolarHBondContact O-N 3.2Å; N308-Q311 WeakPolarHBondContact O-CG 3.26Å |
| 309 | S | 67.4 | Low | 61.5 | Low | 83 Ų | 83 | 76 Ų | 76 | 58% | 0.58 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -71.6 | -6.5 | 175.3 | -66.2 | 0 | 0 | 0 | 0 | 114.3 | L305 Q311 | L305-S309 WeakPolarHBondContact O-CB 3.44Å; L305-S309 PolarHBondContact O-N 3.28Å; L305-S309 PolarHBondContact O-OG 2.69Å; S309-Q311 PolarHBondContact O-N 2.83Å |
| 310 | S | 54.7 | Low | 58.5 | Low | 17 Ų | 17 | 82.9 Ų | 82.9 | 12% | 0.119 | 52% | 0.517 | C | S | . | . | trans | -75.8 | 34.5 | 169.8 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | R14 K17 T306 N308 | R14-S310 PolarHBondContact NE-O 3.19Å; R14-S310 VanDerWaalsContact NH2-C 3.3Å; R14-S310 PolarHBondContact NH2-O 3.38Å; K17-S310 PolarHBondContact NZ-OG 2.71Å; T306-S310 PolarHBondContact O-OG 3.14Å; N308-S310 PolarHBondContact O-N 3.2Å | ||
| 311 | Q | 36.9 | Very low | 55.4 | Low | 114 Ų | 114 | 86.8 Ų | 86.8 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | trans | -71.5 | 131.9 | 170 | -65.9 | -91 | -35.1 | 0 | 0 | 107.4 | R14 N308 S309 | R14-Q311 VanDerWaalsContact NH2-NE2 3.17Å; N308-Q311 WeakPolarHBondContact O-CG 3.26Å; S309-Q311 PolarHBondContact O-N 2.83Å | ||
| 312 | P | 34 | Very low | 52.4 | Low | 96 Ų | 96 | 93.6 Ų | 93.6 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | trans | -58.7 | 140.6 | 157.8 | 20.9 | -20.5 | 0 | 0 | 0 | 108 | G314 | P312-G314 VanDerWaalsContact C-N 3.32Å; P312-G314 PolarHBondContact O-N 3.28Å | ||
| 313 | P | 33.8 | Very low | 49.3 | Very low | 142 Ų | 142 | 101.8 Ų | 101.8 | 92% | 0.922 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -67.6 | 95 | 175.3 | 28 | -30.9 | 0 | 0 | 0 | 108.1 | ||
| 314 | G | 33.9 | Very low | 46.5 | Very low | 69 Ų | 69 | 110.6 Ų | 110.6 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | trans | -148.6 | 104.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | P312 | P312-G314 VanDerWaalsContact C-N 3.32Å; P312-G314 PolarHBondContact O-N 3.28Å | ||
| 315 | G | 31.5 | Very low | 43.7 | Very low | 70 Ų | 70 | 109.3 Ų | 109.3 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | trans | 110.9 | 71.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 316 | N | 27.2 | Very low | 40.9 | Very low | 172 Ų | 172 | 115 Ų | 115 | 92% | 0.92 | 67% | 0.665 | S | S | * | * | trans | -144.7 | 77.9 | 137.5 | -93.2 | -5.3 | 0 | 0 | 0 | 106.1 | ||||
| 317 | A | 36 | Very low | 38.4 | Very low | 98 Ų | 98 | 120 Ų | 120 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | -77.2 | 112.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 318 | E | 28.5 | Very low | 36.1 | Very low | 195 Ų | 195 | 124 Ų | 124 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | trans | -178.2 | 122.1 | 146.3 | -103 | 170.4 | -177.5 | 0 | 0 | 110.8 | ||||
| 319 | G | 26.7 | Very low | 33.9 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | 72.5 | 103 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 320 | T | 27.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | -163.3 | 120.3 | 70.7 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 321 | E | 28.6 | Very low | 31.3 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -69.4 | 159.8 | 168.3 | -101.4 | -173.5 | 116.7 | 0 | 0 | 112.3 | ||||
| 322 | Q | 29.1 | Very low | 31.1 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 82.6 | 85.3 | 163.7 | -65.6 | 176.2 | 6.7 | 0 | 0 | 119 | ||||
| 323 | Q | 26.7 | Very low | 31.2 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | -153.2 | 75.3 | 129.8 | -140.9 | 165.4 | 2.9 | 0 | 0 | 111.5 | I325 | Q323-I325 HydrophobicContact CG-CD1 4.18Å; Q323-I325 HydrophobicContact CG-CG1 4.03Å; Q323-I325 PolarHBondContact O-N 3.15Å | |||
| 324 | K | 29.4 | Very low | 31.5 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -88.6 | 84 | 165.5 | -143.7 | -178.8 | -163.2 | -174.1 | 0 | 107.6 | L326 | K324-L326 PolarHBondContact O-N 2.94Å; K324-L326 VanDerWaalsContact O-N 3.17Å | ||
| 325 | I | 29.8 | Very low | 31.6 | Very low | 129 Ų | 129 | 156.1 Ų | 156.1 | 66% | 0.662 | 83% | 0.833 | S | S | * | * | trans | -73.7 | 98.5 | 164.9 | -60.3 | 172.2 | 0 | 0 | 0 | 105.6 | Q323 I327 | Q323-I325 HydrophobicContact CG-CD1 4.18Å; Q323-I325 HydrophobicContact CG-CG1 4.03Å; Q323-I325 PolarHBondContact O-N 3.15Å; I325-I327 HydrophobicContact CG2-CG1 4.33Å | ||
| 326 | L | 30.4 | Very low | 31.6 | Very low | 157 Ų | 157 | 160.5 Ų | 160.5 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | -84.4 | 108.3 | 168.1 | -168.5 | 74 | 0 | 0 | 0 | 107.1 | K324 | K324-L326 PolarHBondContact O-N 2.94Å; K324-L326 VanDerWaalsContact O-N 3.17Å | ||
| 327 | I | 32.2 | Very low | 31.9 | Very low | 138 Ų | 138 | 159.8 Ų | 159.8 | 71% | 0.708 | 83% | 0.834 | S | S | * | * | trans | -72.4 | 142.9 | 167.9 | -64.9 | 174.9 | 0 | 0 | 0 | 107.9 | I325 | I325-I327 HydrophobicContact CG2-CG1 4.33Š| ||
| 328 | P | 34.6 | Very low | 31.6 | Very low | 115 Ų | 115 | 163.3 Ų | 163.3 | 75% | 0.747 | 84% | 0.835 | S | S | * | * | trans | -80.4 | 132.8 | -175.1 | 15 | 0.1 | 0 | 0 | 0 | 111.1 | ||||
| 329 | E | 33.4 | Very low | 31.8 | Very low | 205 Ų | 205 | 161.4 Ų | 161.4 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | trans | -102.7 | 109.3 | 155.2 | -91.6 | -167.7 | 143.2 | 0 | 0 | 108 | ||||
| 330 | D | 34.3 | Very low | 32.1 | Very low | 137 Ų | 137 | 167 Ų | 167 | 73% | 0.733 | 84% | 0.836 | S | S | * | * | trans | -98.8 | 146.3 | 169 | -157.2 | -5.8 | 0 | 0 | 0 | 108.8 | ||||
| 331 | L | 32.5 | Very low | 32.4 | Very low | 150 Ų | 150 | 168.5 Ų | 168.5 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | 67.6 | 110.8 | 166.6 | -66.2 | 119.5 | 0 | 0 | 0 | 120.5 | ||||
| 332 | S | 32 | Very low | 32.7 | Very low | 116 Ų | 116 | 168.1 Ų | 168.1 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | 173.3 | 104.6 | 107.9 | -177.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 333 | R | 36.8 | Very low | 33 | Very low | 234 Ų | 234 | 167.2 Ų | 167.2 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | 159.4 | 98.4 | 137 | -98.8 | -177.1 | 176.6 | 174.1 | -0.2 | 107.8 | ||||
| 334 | K | 39.9 | Very low | 33.5 | Very low | 187 Ų | 187 | 166.7 Ų | 166.7 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | 55.7 | 114.1 | 74.2 | -110.4 | -174.5 | -176.7 | -175.9 | 0 | 113.5 | |||||
| 335 | D | 36.8 | Very low | 33.9 | Very low | 230 Ų | 230 | 163.5 Ų | 163.5 | 100% | 1.23 | 83% | 0.832 | S | S | * | * | trans | 79.4 | 0 | 165.2 | -46.5 | -29.6 | 0 | 0 | 0 | 117.6 |
Retrieved 335 of 335 residues in 545.6 ms
(Link to these results)