| 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 | 42.9 | Very low | 56 | Low | 248 Ų | 248 | 149.1 Ų | 149.1 | 100% | 1.222 | 74% | 0.739 | S | S | * | * | 0 | 99.5 | 0 | -77.8 | 150.6 | 135.8 | 0 | 0 | 107.2 | |||||
| 2 | G | 46.4 | Very low | 58.3 | Low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 70% | 0.7 | S | S | * | * | trans | -64.3 | 140.7 | -172 | 0 | 0 | 0 | 0 | 0 | 111.7 | H4 | G2-H4 PolarHBondContact O-N 3Š| ||
| 3 | S | 46.2 | Very low | 60.6 | Low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | trans | -51 | 108.7 | 168.5 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | F5 | S3-F5 VanDerWaalsContact C-N 3.29Å; S3-F5 PolarHBondContact O-N 2.97Å | ||
| 4 | H | 51.5 | Low | 62.5 | Low | 175 Ų | 175 | 134.1 Ų | 134.1 | 81% | 0.81 | 68% | 0.679 | S | S | * | * | trans | -67.5 | 92.9 | 171.3 | -161.5 | -81 | 0 | 0 | 0 | 107 | G2 R6 | G2-H4 PolarHBondContact O-N 3Å; H4-R6 PolarHBondContact O-N 2.78Å | ||
| 5 | F | 53.7 | Low | 64.2 | Low | 179 Ų | 179 | 129.1 Ų | 129.1 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | trans | -55.4 | 108.8 | 165.8 | -75.9 | -83.2 | 0 | 0 | 0 | 105.9 | S3 S7 | S3-F5 VanDerWaalsContact C-N 3.29Å; S3-F5 PolarHBondContact O-N 2.97Å; F5-S7 VanDerWaalsContact C-N 3.34Å; F5-S7 PolarHBondContact O-N 2.84Å | ||
| 6 | R | 57 | Low | 65.9 | Low | 230 Ų | 230 | 127.8 Ų | 127.8 | 87% | 0.868 | 65% | 0.649 | S | S | * | * | trans | -58.8 | 103 | 175.3 | -177.8 | 169.9 | -96.9 | 172.2 | -8.5 | 105.6 | H4 Y8 | H4-R6 PolarHBondContact O-N 2.78Å; R6-Y8 PolarHBondContact O-N 2.92Å | ||
| 7 | S | 52.5 | Low | 67.4 | Low | 79 Ų | 79 | 123.9 Ų | 123.9 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | trans | -55.2 | 136.8 | 173.1 | 72.6 | 0 | 0 | 0 | 0 | 106.3 | F5 I9 | F5-S7 VanDerWaalsContact C-N 3.34Å; F5-S7 PolarHBondContact O-N 2.84Å; S7-I9 PolarHBondContact O-N 3.4Å | ||
| 8 | Y | 57.7 | Low | 68.8 | Low | 154 Ų | 154 | 118.7 Ų | 118.7 | 60% | 0.604 | 61% | 0.608 | S | S | * | * | trans | -62.2 | 91.3 | 165.7 | -118.7 | -92.4 | 0 | 0 | 0 | 105.6 | R6 W10 R87 | R6-Y8 PolarHBondContact O-N 2.92Å; Y8-W10 VanDerWaalsContact C-N 3.27Å; Y8-W10 PolarHBondContact O-N 3.26Å; Y8-R87 VanDerWaalsContact CE2-NH2 3.3Å; Y8-R87 VanDerWaalsContact OH-CZ 3.23Å; Y8-R87 PolarHBondContact OH-NH1 2.89Å | ||
| 9 | I | 60.6 | Low | 70 | Confident | 141 Ų | 141 | 114.5 Ų | 114.5 | 72% | 0.723 | 59% | 0.587 | S | S | * | * | trans | -69.4 | 99.7 | 167.3 | -59.9 | 172.7 | 0 | 0 | 0 | 103.4 | S7 D11 | S7-I9 PolarHBondContact O-N 3.4Å; I9-D11 PolarHBondContact O-N 2.95Å | ||
| 10 | W | 66 | Low | 71.3 | Confident | 186 Ų | 186 | 113.2 Ų | 113.2 | 71% | 0.705 | 58% | 0.584 | S | S | * | * | trans | -62.6 | 103.2 | 178.4 | -175.9 | 80.8 | 0 | 0 | 0 | 107.6 | Y8 P12 | Y8-W10 VanDerWaalsContact C-N 3.27Å; Y8-W10 PolarHBondContact O-N 3.26Å; W10-P12 HydrophobicContact CD2-CB 4.37Å; W10-P12 HydrophobicContact CD2-CG 4.48Å; W10-P12 HydrophobicContact CE3-CB 4.09Å; W10-P12 HydrophobicContact CE3-CG 3.8Å; W10-P12 HydrophobicContact CH2-CB 3.46Å; W10-P12 VanDerWaalsContact CH2-CB 3.46Å; W10-P12 HydrophobicContact CH2-CG 3.8Å; W10-P12 HydrophobicContact CZ2-CB 3.75Å; W10-P12 HydrophobicContact CZ2-CG 4.46Å; W10-P12 HydrophobicContact CZ3-CB 3.63Å; W10-P12 HydrophobicContact CZ3-CG 3.41Å; W10-P12 VanDerWaalsContact CZ3-CG 3.41Å; W10-P12 VanDerWaalsContact O-CD 3.25Å; W10-P12 WeakPolarHBondContact O-CD 3.36Å | ||
| 11 | D | 81.6 | Confident | 72.4 | Confident | 79 Ų | 79 | 110.6 Ų | 110.6 | 42% | 0.422 | 57% | 0.571 | S | S | . | * | trans | -104.6 | 91.6 | 175.5 | -166.2 | -21.3 | 0 | 0 | 0 | 108.3 | I9 V13 L14 I15 | I9-D11 PolarHBondContact O-N 2.95Å; D11-V13 PolarHBondContact O-N 3.29Å; D11-V13 WeakPolarHBondContact OD1-CB 3.25Å; D11-V13 PolarHBondContact OD1-N 3.24Å; D11-L14 HydrophobicContact CB-CB 4.06Å; D11-L14 WeakPolarHBondContact O-CB 3.49Å; D11-L14 PolarHBondContact O-N 2.84Å; D11-L14 PolarHBondContact OD1-N 2.9Å; D11-I15 PolarHBondContact O-N 3.34Å | ||
| 12 | P | 83.3 | Confident | 74.8 | Confident | 42 Ų | 42 | 98.9 Ų | 98.9 | 27% | 0.273 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -28.2 | -176.3 | 26.5 | -33.6 | 0 | 0 | 0 | 112 | W10 L14 I15 L16 | W10-P12 HydrophobicContact CD2-CB 4.37Å; W10-P12 HydrophobicContact CD2-CG 4.48Å; W10-P12 HydrophobicContact CE3-CB 4.09Å; W10-P12 HydrophobicContact CE3-CG 3.8Å; W10-P12 HydrophobicContact CH2-CB 3.46Å; W10-P12 VanDerWaalsContact CH2-CB 3.46Å; W10-P12 HydrophobicContact CH2-CG 3.8Å; W10-P12 HydrophobicContact CZ2-CB 3.75Å; W10-P12 HydrophobicContact CZ2-CG 4.46Å; W10-P12 HydrophobicContact CZ3-CB 3.63Å; W10-P12 HydrophobicContact CZ3-CG 3.41Å; W10-P12 VanDerWaalsContact CZ3-CG 3.41Å; W10-P12 VanDerWaalsContact O-CD 3.25Å; W10-P12 WeakPolarHBondContact O-CD 3.36Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-I15 PolarHBondContact O-N 3.47Å; P12-L16 WeakPolarHBondContact O-CB 3.49Å; P12-L16 WeakPolarHBondContact O-CG 3.33Å; P12-L16 PolarHBondContact O-N 3.25Å |
| 13 | V | 88.6 | Confident | 77.1 | Confident | 103 Ų | 103 | 96.6 Ų | 96.6 | 62% | 0.624 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.3 | -41.1 | 179.8 | -178 | 0 | 0 | 0 | 0 | 109.5 | D11 L16 S17 | D11-V13 PolarHBondContact O-N 3.29Å; D11-V13 WeakPolarHBondContact OD1-CB 3.25Å; D11-V13 PolarHBondContact OD1-N 3.24Å; V13-L16 PolarHBondContact O-N 2.96Å; V13-S17 WeakPolarHBondContact O-CB 3.41Å; V13-S17 PolarHBondContact O-N 3.4Å; V13-S17 PolarHBondContact O-OG 3.37Å |
| 14 | L | 87.7 | Confident | 79.5 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.4 | -163.9 | 87.5 | 0 | 0 | 0 | 111.3 | D11 P12 L16 S17 Q18 | D11-L14 HydrophobicContact CB-CB 4.06Å; D11-L14 WeakPolarHBondContact O-CB 3.49Å; D11-L14 PolarHBondContact O-N 2.84Å; D11-L14 PolarHBondContact OD1-N 2.9Å; P12-L14 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 2.94Å; L14-S17 PolarHBondContact O-N 2.95Å; L14-S17 PolarHBondContact O-OG 3.45Å; L14-Q18 WeakPolarHBondContact O-CG 3.38Å; L14-Q18 PolarHBondContact O-N 3.32Å |
| 15 | I | 88 | Confident | 81.5 | Confident | 59 Ų | 59 | 88 Ų | 88 | 30% | 0.303 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | -179.2 | -61.3 | 171.9 | 0 | 0 | 0 | 110.6 | D11 P12 S17 Q18 I19 F94 | D11-I15 PolarHBondContact O-N 3.34Å; P12-I15 PolarHBondContact O-N 3.47Å; I15-S17 VanDerWaalsContact C-N 3.35Å; I15-S17 PolarHBondContact O-N 2.74Å; I15-Q18 PolarHBondContact O-N 3.22Å; I15-I19 HydrophobicContact CG2-CD1 4.12Å; I15-I19 WeakPolarHBondContact O-CG1 3.37Å; I15-I19 PolarHBondContact O-N 3.41Å; I15-F94 HydrophobicContact CG2-CZ 4.31Å |
| 16 | L | 90.4 | Very high | 83.5 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 57% | 0.565 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.1 | -44.8 | 177.5 | -76.9 | 165.3 | 0 | 0 | 0 | 111.6 | P12 V13 L14 Q18 I19 V20 | P12-L16 WeakPolarHBondContact O-CB 3.49Å; P12-L16 WeakPolarHBondContact O-CG 3.33Å; P12-L16 PolarHBondContact O-N 3.25Å; V13-L16 PolarHBondContact O-N 2.96Å; L14-L16 PolarHBondContact O-N 2.94Å; L16-Q18 VanDerWaalsContact C-N 3.31Å; L16-Q18 PolarHBondContact O-N 3.5Å; L16-I19 PolarHBondContact O-N 2.95Å; L16-V20 WeakPolarHBondContact O-CG2 3.2Å; L16-V20 PolarHBondContact O-N 3.22Å |
| 17 | S | 91.6 | Very high | 85.2 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 177.3 | 72.4 | 0 | 0 | 0 | 0 | 112.5 | V13 L14 I15 V20 L21 | V13-S17 WeakPolarHBondContact O-CB 3.41Å; V13-S17 PolarHBondContact O-N 3.4Å; V13-S17 PolarHBondContact O-OG 3.37Å; L14-S17 PolarHBondContact O-N 2.95Å; L14-S17 PolarHBondContact O-OG 3.45Å; I15-S17 VanDerWaalsContact C-N 3.35Å; I15-S17 PolarHBondContact O-N 2.74Å; S17-V20 PolarHBondContact O-N 3.49Å; S17-L21 WeakPolarHBondContact O-CB 3.33Å; S17-L21 PolarHBondContact O-N 2.87Å |
| 18 | Q | 92.5 | Very high | 87.2 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 175 | -74 | 175.9 | -22.2 | 0 | 0 | 112 | L14 I15 L16 L21 M22 F84 F94 | L14-Q18 WeakPolarHBondContact O-CG 3.38Å; L14-Q18 PolarHBondContact O-N 3.32Å; I15-Q18 PolarHBondContact O-N 3.22Å; L16-Q18 VanDerWaalsContact C-N 3.31Å; L16-Q18 PolarHBondContact O-N 3.5Å; Q18-L21 PolarHBondContact O-N 2.97Å; Q18-M22 WeakPolarHBondContact O-CB 3.19Å; Q18-M22 VanDerWaalsContact O-CG 3.31Å; Q18-M22 WeakPolarHBondContact O-CG 3.3Å; Q18-M22 PolarHBondContact O-N 3.22Å; Q18-F84 PolarHBondContact NE2-O 3.42Å; Q18-F94 HydrophobicContact CB-CE1 3.68Å; Q18-F94 HydrophobicContact CB-CZ 3.93Å |
| 19 | I | 92.9 | Very high | 89 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 20% | 0.195 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.7 | -52.3 | 174.9 | -66.5 | 169.7 | 0 | 0 | 0 | 109.3 | I15 L16 L21 M22 Q23 F94 T97 F101 | I15-I19 HydrophobicContact CG2-CD1 4.12Å; I15-I19 WeakPolarHBondContact O-CG1 3.37Å; I15-I19 PolarHBondContact O-N 3.41Å; L16-I19 PolarHBondContact O-N 2.95Å; I19-L21 VanDerWaalsContact C-N 3.29Å; I19-L21 PolarHBondContact O-N 2.87Å; I19-M22 PolarHBondContact O-N 3.03Å; I19-M22 VanDerWaalsContact O-N 3.15Å; I19-Q23 WeakPolarHBondContact O-CG 3.42Å; I19-Q23 PolarHBondContact O-N 3.17Å; I19-F94 HydrophobicContact CB-CE1 4.44Å; I19-F94 HydrophobicContact CG1-CD1 3.94Å; I19-F94 HydrophobicContact CG1-CE1 3.53Å; I19-F94 HydrophobicContact CG1-CZ 4.44Å; I19-T97 HydrophobicContact CG2-CG2 4.09Å; I19-F101 HydrophobicContact CG2-CE2 4.14Å |
| 20 | V | 94.7 | Very high | 90.5 | Very high | 89 Ų | 89 | 61.9 Ų | 61.9 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 179.4 | 172.8 | 0 | 0 | 0 | 0 | 111 | L16 S17 M22 Q23 C24 | L16-V20 WeakPolarHBondContact O-CG2 3.2Å; L16-V20 PolarHBondContact O-N 3.22Å; S17-V20 PolarHBondContact O-N 3.49Å; V20-M22 PolarHBondContact O-N 3.15Å; V20-Q23 WeakPolarHBondContact O-CB 3.44Å; V20-Q23 PolarHBondContact O-N 3.35Å; V20-C24 PolarHBondContact O-N 3.2Å; V20-C24 PolarHBondContact O-SG 3.48Å |
| 21 | L | 94.5 | Very high | 91.7 | Very high | 59 Ų | 59 | 54.2 Ų | 54.2 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 176.6 | 178.9 | 66.7 | 0 | 0 | 0 | 112.1 | S17 Q18 I19 Q23 C24 I25 F84 | S17-L21 WeakPolarHBondContact O-CB 3.33Å; S17-L21 PolarHBondContact O-N 2.87Å; Q18-L21 PolarHBondContact O-N 2.97Å; I19-L21 VanDerWaalsContact C-N 3.29Å; I19-L21 PolarHBondContact O-N 2.87Å; L21-Q23 VanDerWaalsContact C-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.47Å; L21-C24 PolarHBondContact O-N 3.21Å; L21-I25 HydrophobicContact CD1-CD1 4.27Å; L21-I25 HydrophobicContact CG-CD1 4.01Å; L21-I25 VanDerWaalsContact O-CG1 3.32Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 2.8Å; L21-F84 HydrophobicContact CD2-CB 4.1Å; L21-F84 HydrophobicContact CD2-CD1 3.38Å; L21-F84 HydrophobicContact CD2-CD2 3.79Å; L21-F84 HydrophobicContact CD2-CE1 3.62Å; L21-F84 HydrophobicContact CD2-CE2 4.03Å; L21-F84 HydrophobicContact CD2-CG 3.48Å; L21-F84 VanDerWaalsContact CD2-CG 3.48Å; L21-F84 HydrophobicContact CD2-CZ 3.93Å |
| 22 | M | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 177.2 | -73.9 | -57.2 | -55.9 | 0 | 0 | 111.8 | Q18 I19 V20 I25 Y26 C77 L81 I85 F94 V98 M130 | Q18-M22 WeakPolarHBondContact O-CB 3.19Å; Q18-M22 VanDerWaalsContact O-CG 3.31Å; Q18-M22 WeakPolarHBondContact O-CG 3.3Å; Q18-M22 PolarHBondContact O-N 3.22Å; I19-M22 PolarHBondContact O-N 3.03Å; I19-M22 VanDerWaalsContact O-N 3.15Å; V20-M22 PolarHBondContact O-N 3.15Å; M22-I25 PolarHBondContact O-N 3.29Å; M22-I25 HydrophobicContact SD-CD1 4.37Å; M22-Y26 WeakPolarHBondContact O-CB 3.48Å; M22-Y26 PolarHBondContact O-N 3.4Å; M22-C77 HydrophobicContact CE-CB 4.39Å; M22-L81 HydrophobicContact CE-CD2 3.61Å; M22-L81 HydrophobicContact CE-CG 3.8Å; M22-L81 HydrophobicContact SD-CD2 4.09Å; M22-I85 HydrophobicContact CG-CD1 4.45Å; M22-F94 HydrophobicContact CG-CD1 4.46Å; M22-V98 HydrophobicContact CB-CG2 3.86Å; M22-M130 HydrophobicContact CE-CE 3.48Å; M22-M130 VanDerWaalsContact CE-CE 3.48Å |
| 23 | Q | 95.1 | Very high | 92.7 | Very high | 28 Ų | 28 | 58 Ų | 58 | 13% | 0.131 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 172.9 | -65.1 | -59.2 | 81.2 | 0 | 0 | 112.1 | I19 V20 L21 I25 Y26 Y27 V98 F101 | I19-Q23 WeakPolarHBondContact O-CG 3.42Å; I19-Q23 PolarHBondContact O-N 3.17Å; V20-Q23 WeakPolarHBondContact O-CB 3.44Å; V20-Q23 PolarHBondContact O-N 3.35Å; L21-Q23 VanDerWaalsContact C-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.47Å; Q23-I25 VanDerWaalsContact C-N 3.33Å; Q23-I25 PolarHBondContact O-N 2.91Å; Q23-Y26 PolarHBondContact O-N 2.91Å; Q23-Y27 VanDerWaalsContact O-CD2 3.3Å; Q23-Y27 WeakPolarHBondContact O-CD2 3.49Å; Q23-Y27 PolarHBondContact O-N 2.97Å; Q23-Y27 VanDerWaalsContact O-N 3.08Å; Q23-V98 VanDerWaalsContact OE1-CA 3.24Å; Q23-V98 VanDerWaalsContact OE1-CG2 3.27Å; Q23-F101 HydrophobicContact CG-CD2 4.49Å |
| 24 | C | 95.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 47% | 0.466 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 177 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | V20 L21 S28 | V20-C24 PolarHBondContact O-N 3.2Å; V20-C24 PolarHBondContact O-SG 3.48Å; L21-C24 PolarHBondContact O-N 3.21Å; C24-S28 WeakPolarHBondContact O-CB 3.43Å; C24-S28 PolarHBondContact O-N 3.3Å; C24-S28 PolarHBondContact O-OG 3.09Å |
| 25 | I | 95.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -51.7 | 176 | -69.4 | 168.8 | 0 | 0 | 0 | 109.6 | L21 M22 Q23 Y27 S28 F29 F84 | L21-I25 HydrophobicContact CD1-CD1 4.27Å; L21-I25 HydrophobicContact CG-CD1 4.01Å; L21-I25 VanDerWaalsContact O-CG1 3.32Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 2.8Å; M22-I25 PolarHBondContact O-N 3.29Å; M22-I25 HydrophobicContact SD-CD1 4.37Å; Q23-I25 VanDerWaalsContact C-N 3.33Å; Q23-I25 PolarHBondContact O-N 2.91Å; I25-Y27 PolarHBondContact O-N 3.41Å; I25-S28 PolarHBondContact O-N 3.36Å; I25-F29 HydrophobicContact CB-CD2 4.44Å; I25-F29 HydrophobicContact CG2-CD2 3.74Å; I25-F29 HydrophobicContact CG2-CE2 4.11Å; I25-F29 WeakPolarHBondContact O-CB 3.31Å; I25-F29 WeakPolarHBondContact O-CD2 3.32Å; I25-F29 PolarHBondContact O-N 2.93Å; I25-F84 HydrophobicContact CD1-CD2 3.85Å; I25-F84 HydrophobicContact CD1-CE2 3.52Å; I25-F84 HydrophobicContact CD1-CZ 4.48Å |
| 26 | Y | 94.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.5 | -51.6 | -177.2 | -176.5 | -88.6 | 0 | 0 | 0 | 112.5 | M22 Q23 L30 F70 N73 V98 H102 | M22-Y26 WeakPolarHBondContact O-CB 3.48Å; M22-Y26 PolarHBondContact O-N 3.4Å; Q23-Y26 PolarHBondContact O-N 2.91Å; Y26-L30 HydrophobicContact CE1-CD2 3.88Å; Y26-L30 WeakPolarHBondContact O-CB 3.49Å; Y26-L30 PolarHBondContact O-N 3.45Å; Y26-F70 WeakPolarHBondContact OH-CE1 3.38Å; Y26-N73 VanDerWaalsContact CD2-ND2 3.27Å; Y26-N73 WeakPolarHBondContact CD2-ND2 3.35Å; Y26-N73 VanDerWaalsContact CE2-ND2 3.31Å; Y26-N73 WeakPolarHBondContact CE2-ND2 3.43Å; Y26-N73 PolarHBondContact O-ND2 3.48Å; Y26-N73 PolarHBondContact O-OD1 3.32Å; Y26-V98 HydrophobicContact CD1-CG1 4.4Å; Y26-V98 HydrophobicContact CD2-CG1 3.46Å; Y26-V98 VanDerWaalsContact CD2-CG1 3.46Å; Y26-V98 HydrophobicContact CE2-CG1 4.04Å; Y26-V98 HydrophobicContact CG-CG1 3.67Å; Y26-H102 HydrophobicContact CE1-CB 4.3Å; Y26-H102 AromaticContact CE1-ND1 3.94Å |
| 27 | Y | 93.2 | Very high | 92.8 | Very high | 72 Ų | 72 | 45.2 Ų | 45.2 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -74.4 | -36.8 | -176.9 | -73.9 | -71.3 | 0 | 0 | 0 | 113.3 | Q23 I25 G31 F51 H102 | Q23-Y27 VanDerWaalsContact O-CD2 3.3Å; Q23-Y27 WeakPolarHBondContact O-CD2 3.49Å; Q23-Y27 PolarHBondContact O-N 2.97Å; Q23-Y27 VanDerWaalsContact O-N 3.08Å; I25-Y27 PolarHBondContact O-N 3.41Å; Y27-G31 PolarHBondContact O-N 2.81Å; Y27-F51 HydrophobicContact CD1-CZ 4.49Å; Y27-F51 AromaticContact CE1-CE1 3.94Å; Y27-F51 HydrophobicContact CE1-CE1 3.94Å; Y27-F51 AromaticContact CE1-CZ 3.9Å; Y27-F51 HydrophobicContact CE1-CZ 3.9Å; Y27-H102 AromaticContact CE1-ND1 4Å; Y27-H102 WeakPolarHBondContact OH-CA 3.33Å |
| 28 | S | 94.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 42.6 Ų | 42.6 | 55% | 0.552 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.4 | -45.7 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | C24 I25 L32 | C24-S28 WeakPolarHBondContact O-CB 3.43Å; C24-S28 PolarHBondContact O-N 3.3Å; C24-S28 PolarHBondContact O-OG 3.09Å; I25-S28 PolarHBondContact O-N 3.36Å; S28-L32 WeakPolarHBondContact O-CB 3.42Å; S28-L32 PolarHBondContact O-N 3.45Å |
| 29 | F | 94.4 | Very high | 92.3 | Very high | 80 Ų | 80 | 44 Ų | 44 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.7 | -34.4 | 178.3 | -77.6 | -79.6 | 0 | 0 | 0 | 112.4 | I25 G31 L32 W33 N73 T76 | I25-F29 HydrophobicContact CB-CD2 4.44Å; I25-F29 HydrophobicContact CG2-CD2 3.74Å; I25-F29 HydrophobicContact CG2-CE2 4.11Å; I25-F29 WeakPolarHBondContact O-CB 3.31Å; I25-F29 WeakPolarHBondContact O-CD2 3.32Å; I25-F29 PolarHBondContact O-N 2.93Å; F29-G31 VanDerWaalsContact C-N 3.33Å; F29-G31 PolarHBondContact O-N 3.08Å; F29-L32 HydrophobicContact CD1-CD2 4.09Å; F29-L32 HydrophobicContact CE1-CD2 4.38Å; F29-L32 WeakPolarHBondContact O-CB 3.24Å; F29-L32 PolarHBondContact O-N 3.5Å; F29-W33 WeakPolarHBondContact O-CB 3.34Å; F29-W33 PolarHBondContact O-N 3.35Å; F29-N73 WeakPolarHBondContact CB-OD1 3.17Å; F29-T76 HydrophobicContact CB-CG2 4.08Å; F29-T76 HydrophobicContact CD1-CG2 3.63Å; F29-T76 HydrophobicContact CD2-CG2 3.9Å; F29-T76 HydrophobicContact CE1-CG2 3.93Å; F29-T76 HydrophobicContact CE2-CG2 4.2Å; F29-T76 HydrophobicContact CG-CG2 3.6Å; F29-T76 HydrophobicContact CZ-CG2 4.2Å |
| 30 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 172.4 | -177.6 | 61.1 | 0 | 0 | 0 | 110.9 | Y26 L32 W33 L34 I50 F70 N73 | Y26-L30 HydrophobicContact CE1-CD2 3.88Å; Y26-L30 WeakPolarHBondContact O-CB 3.49Å; Y26-L30 PolarHBondContact O-N 3.45Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.81Å; L30-W33 PolarHBondContact O-N 2.84Å; L30-L34 HydrophobicContact CD1-CD1 4.2Å; L30-L34 HydrophobicContact CD1-CG 4.37Å; L30-L34 HydrophobicContact CG-CD1 4.06Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 2.92Å; L30-I50 HydrophobicContact CD2-CG2 4Å; L30-F70 HydrophobicContact CD1-CD1 4.17Å; L30-F70 HydrophobicContact CD1-CD2 4.12Å; L30-F70 HydrophobicContact CD1-CE1 4.23Å; L30-F70 HydrophobicContact CD1-CE2 4.16Å; L30-F70 HydrophobicContact CD1-CG 4.12Å; L30-F70 HydrophobicContact CD1-CZ 4.22Å; L30-F70 HydrophobicContact CD2-CE1 3.94Å; L30-F70 HydrophobicContact CD2-CZ 3.92Å; L30-N73 HydrophobicContact CB-CB 4.48Å; L30-N73 HydrophobicContact CD1-CB 4.11Å; L30-N73 PolarHBondContact N-OD1 3.46Å; L30-N73 VanDerWaalsContact N-OD1 3.08Å |
| 31 | G | 91.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y27 F29 A35 | Y27-G31 PolarHBondContact O-N 2.81Å; F29-G31 VanDerWaalsContact C-N 3.33Å; F29-G31 PolarHBondContact O-N 3.08Å; G31-A35 WeakPolarHBondContact O-CB 3.22Å; G31-A35 PolarHBondContact O-N 2.92Å |
| 32 | L | 92.9 | Very high | 90.6 | Very high | 111 Ų | 111 | 53.7 Ų | 53.7 | 58% | 0.581 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.2 | -46.7 | 175.8 | -173.5 | 76.2 | 0 | 0 | 0 | 112 | S28 F29 L30 A35 G36 | S28-L32 WeakPolarHBondContact O-CB 3.42Å; S28-L32 PolarHBondContact O-N 3.45Å; F29-L32 HydrophobicContact CD1-CD2 4.09Å; F29-L32 HydrophobicContact CE1-CD2 4.38Å; F29-L32 WeakPolarHBondContact O-CB 3.24Å; F29-L32 PolarHBondContact O-N 3.5Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.81Å; L32-A35 PolarHBondContact O-N 3.33Å; L32-G36 PolarHBondContact O-N 3.47Å |
| 33 | W | 93.3 | Very high | 89.6 | Confident | 88 Ų | 88 | 55.5 Ų | 55.5 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 179.3 | -77.1 | 123.9 | 0 | 0 | 0 | 111.3 | F29 L30 G36 V37 A69 L72 T76 | F29-W33 WeakPolarHBondContact O-CB 3.34Å; F29-W33 PolarHBondContact O-N 3.35Å; L30-W33 PolarHBondContact O-N 2.84Å; W33-G36 PolarHBondContact O-N 3.07Å; W33-V37 WeakPolarHBondContact O-CB 3.37Å; W33-V37 VanDerWaalsContact O-CG2 3.28Å; W33-V37 WeakPolarHBondContact O-CG2 3.34Å; W33-V37 PolarHBondContact O-N 3.48Å; W33-A69 HydrophobicContact CB-CB 3.93Å; W33-L72 HydrophobicContact CD2-CB 3.86Å; W33-L72 HydrophobicContact CD2-CD1 4.19Å; W33-L72 HydrophobicContact CE3-CB 4.27Å; W33-L72 HydrophobicContact CE3-CD1 3.74Å; W33-L72 HydrophobicContact CG-CB 4.2Å; W33-L72 HydrophobicContact CH2-CD1 4.36Å; W33-L72 HydrophobicContact CZ2-CB 4.18Å; W33-L72 HydrophobicContact CZ3-CD1 3.84Å; W33-T76 PolarHBondContact NE1-OG1 2.87Å; W33-T76 VanDerWaalsContact NE1-OG1 3.09Å |
| 34 | L | 90.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -48.4 | 175.4 | -72.1 | 170.6 | 0 | 0 | 0 | 111.3 | L30 G36 V37 D38 Q49 I50 A69 | L30-L34 HydrophobicContact CD1-CD1 4.2Å; L30-L34 HydrophobicContact CD1-CG 4.37Å; L30-L34 HydrophobicContact CG-CD1 4.06Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 2.92Å; L34-G36 VanDerWaalsContact C-N 3.26Å; L34-G36 PolarHBondContact O-N 3.38Å; L34-V37 PolarHBondContact O-N 3.08Å; L34-D38 WeakPolarHBondContact O-CB 3.27Å; L34-D38 VanDerWaalsContact O-CG 3.26Å; L34-D38 PolarHBondContact O-N 3.31Å; L34-Q49 HydrophobicContact CD1-CB 4.33Å; L34-Q49 HydrophobicContact CD2-CB 4.39Å; L34-I50 HydrophobicContact CD1-CD1 4.19Å; L34-I50 HydrophobicContact CD1-CG1 3.34Å; L34-A69 HydrophobicContact CD2-CB 3.65Å; L34-A69 HydrophobicContact CG-CB 4.01Å |
| 35 | A | 89.2 | Confident | 87.6 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -34.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | G31 L32 S39 R45 | G31-A35 WeakPolarHBondContact O-CB 3.22Å; G31-A35 PolarHBondContact O-N 2.92Å; L32-A35 PolarHBondContact O-N 3.33Å; A35-S39 VanDerWaalsContact O-CB 3.28Å; A35-S39 WeakPolarHBondContact O-CB 3.34Å; A35-S39 PolarHBondContact O-N 2.99Å; A35-R45 PolarHBondContact O-NH2 3.3Å |
| 36 | G | 88.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.8 | -49 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L32 W33 L34 D38 S39 L40 | L32-G36 PolarHBondContact O-N 3.47Å; W33-G36 PolarHBondContact O-N 3.07Å; L34-G36 VanDerWaalsContact C-N 3.26Å; L34-G36 PolarHBondContact O-N 3.38Å; G36-D38 PolarHBondContact O-N 3.42Å; G36-S39 WeakPolarHBondContact O-CB 3.32Å; G36-S39 PolarHBondContact O-N 3.2Å; G36-L40 WeakPolarHBondContact O-CG 3.3Å; G36-L40 PolarHBondContact O-N 3.33Å; G36-L40 VanDerWaalsContact O-N 3.15Å |
| 37 | V | 88.2 | Confident | 86.1 | Confident | 21 Ų | 21 | 71.5 Ų | 71.5 | 13% | 0.127 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | W33 L34 S39 L40 V41 L65 | W33-V37 WeakPolarHBondContact O-CB 3.37Å; W33-V37 VanDerWaalsContact O-CG2 3.28Å; W33-V37 WeakPolarHBondContact O-CG2 3.34Å; W33-V37 PolarHBondContact O-N 3.48Å; L34-V37 PolarHBondContact O-N 3.08Å; V37-S39 VanDerWaalsContact C-N 3.32Å; V37-S39 PolarHBondContact O-N 3.12Å; V37-L40 PolarHBondContact O-N 2.7Å; V37-V41 PolarHBondContact O-N 2.95Å; V37-L65 HydrophobicContact CG1-CB 3.58Å; V37-L65 HydrophobicContact CG1-CD1 4.06Å; V37-L65 HydrophobicContact CG1-CD2 3.72Å; V37-L65 HydrophobicContact CG1-CG 3.96Å |
| 38 | D | 86.9 | Confident | 85.5 | Confident | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.032 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.4 | -36 | 176 | -70.6 | -36 | 0 | 0 | 0 | 112.1 | L34 G36 L40 V41 Q42 T43 R45 Q49 | L34-D38 WeakPolarHBondContact O-CB 3.27Å; L34-D38 VanDerWaalsContact O-CG 3.26Å; L34-D38 PolarHBondContact O-N 3.31Å; G36-D38 PolarHBondContact O-N 3.42Å; D38-L40 VanDerWaalsContact C-N 3.27Å; D38-L40 PolarHBondContact O-N 2.83Å; D38-V41 PolarHBondContact O-N 3.33Å; D38-Q42 WeakPolarHBondContact O-CA 3.38Å; D38-Q42 PolarHBondContact O-N 2.87Å; D38-T43 VanDerWaalsContact CA-OG1 3.29Å; D38-T43 WeakPolarHBondContact CA-OG1 3.39Å; D38-T43 WeakPolarHBondContact CB-OG1 3.3Å; D38-T43 PolarHBondContact O-N 3.36Å; D38-T43 PolarHBondContact OD1-OG1 3.24Å; D38-R45 HydrophobicContact CB-CG 4.07Å; D38-Q49 PolarHBondContact OD1-NE2 2.81Å; D38-Q49 PolarHBondContact OD2-NE2 3.08Å; D38-Q49 PolarHBondContact OD2-OE1 3.39Å |
| 39 | S | 85.4 | Confident | 84.9 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 43% | 0.427 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -33 | 175.9 | -166.1 | 0 | 0 | 0 | 0 | 112.4 | A35 G36 V37 Q42 | A35-S39 VanDerWaalsContact O-CB 3.28Å; A35-S39 WeakPolarHBondContact O-CB 3.34Å; A35-S39 PolarHBondContact O-N 2.99Å; G36-S39 WeakPolarHBondContact O-CB 3.32Å; G36-S39 PolarHBondContact O-N 3.2Å; V37-S39 VanDerWaalsContact C-N 3.32Å; V37-S39 PolarHBondContact O-N 3.12Å; S39-Q42 PolarHBondContact O-NE2 3.29Å |
| 40 | L | 84.8 | Confident | 84.4 | Confident | 148 Ų | 148 | 64.9 Ų | 64.9 | 78% | 0.775 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73.3 | -31.5 | 178.2 | -68.4 | 170.6 | 0 | 0 | 0 | 112.1 | G36 V37 D38 | G36-L40 WeakPolarHBondContact O-CG 3.3Å; G36-L40 PolarHBondContact O-N 3.33Å; G36-L40 VanDerWaalsContact O-N 3.15Å; V37-L40 PolarHBondContact O-N 2.7Å; D38-L40 VanDerWaalsContact C-N 3.27Å; D38-L40 PolarHBondContact O-N 2.83Å |
| 41 | V | 82.1 | Confident | 83.8 | Confident | 76 Ų | 76 | 67 Ų | 67 | 46% | 0.461 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -106.7 | -2.7 | -173.4 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | V37 D38 T43 L65 | V37-V41 PolarHBondContact O-N 2.95Å; D38-V41 PolarHBondContact O-N 3.33Å; V41-T43 HydrophobicContact CB-CG2 4.27Å; V41-T43 HydrophobicContact CG1-CG2 3.94Å; V41-T43 PolarHBondContact O-N 3.01Å; V41-L65 HydrophobicContact CB-CD1 4.13Å; V41-L65 HydrophobicContact CG1-CD1 4.05Å; V41-L65 HydrophobicContact CG2-CD1 3.7Å |
| 42 | Q | 79.8 | Confident | 83.2 | Confident | 164 Ų | 164 | 66.4 Ų | 66.4 | 77% | 0.766 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 37.9 | -177.8 | -61.4 | -69 | -53.7 | 0 | 0 | 112.5 | D38 S39 | D38-Q42 WeakPolarHBondContact O-CA 3.38Å; D38-Q42 PolarHBondContact O-N 2.87Å; S39-Q42 PolarHBondContact O-NE2 3.29Å |
| 43 | T | 73.4 | Confident | 82.3 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 153.5 | 176.3 | 40.9 | 0 | 0 | 0 | 0 | 111.3 | D38 V41 R45 | D38-T43 VanDerWaalsContact CA-OG1 3.29Å; D38-T43 WeakPolarHBondContact CA-OG1 3.39Å; D38-T43 WeakPolarHBondContact CB-OG1 3.3Å; D38-T43 PolarHBondContact O-N 3.36Å; D38-T43 PolarHBondContact OD1-OG1 3.24Å; V41-T43 HydrophobicContact CB-CG2 4.27Å; V41-T43 HydrophobicContact CG1-CG2 3.94Å; V41-T43 PolarHBondContact O-N 3.01Å; T43-R45 PolarHBondContact O-N 3.29Å |
| 44 | N | 75.2 | Confident | 81.2 | Confident | 147 Ų | 147 | 65.3 Ų | 65.3 | 79% | 0.786 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 126 | 174.8 | -70.2 | -58.6 | 0 | 0 | 0 | 109.8 | S46 | N44-S46 PolarHBondContact O-N 3.05Š|
| 45 | R | 73.3 | Confident | 80.3 | Confident | 159 Ų | 159 | 66.5 Ų | 66.5 | 60% | 0.6 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 120.5 | 175.1 | -64.7 | -178.1 | 176.3 | 94.9 | 3.3 | 109 | A35 D38 T43 | A35-R45 PolarHBondContact O-NH2 3.3Å; D38-R45 HydrophobicContact CB-CG 4.07Å; T43-R45 PolarHBondContact O-N 3.29Å |
| 46 | S | 79.7 | Confident | 79.6 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -133.7 | 149.7 | 173.3 | 72.3 | 0 | 0 | 0 | 0 | 111.6 | N44 D48 Q49 | N44-S46 PolarHBondContact O-N 3.05Å; S46-D48 PolarHBondContact O-N 3Å; S46-Q49 VanDerWaalsContact N-OE1 3.1Å; S46-Q49 PolarHBondContact O-N 2.69Å; S46-Q49 PolarHBondContact O-OE1 2.93Å | ||
| 47 | L | 77.9 | Confident | 78.9 | Confident | 108 Ų | 108 | 64.1 Ų | 64.1 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.6 | 174 | -67 | 176.5 | 0 | 0 | 0 | 112 | Q49 I50 F51 | L47-Q49 PolarHBondContact O-N 3.46Å; L47-I50 HydrophobicContact CD2-CD1 4.43Å; L47-I50 PolarHBondContact O-N 3.31Å; L47-F51 PolarHBondContact O-N 3.45Å |
| 48 | D | 81.1 | Confident | 78.4 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -29.1 | 175.3 | -52.6 | -43.3 | 0 | 0 | 0 | 111.8 | S46 I50 S52 V55 Y109 | S46-D48 PolarHBondContact O-N 3Å; D48-I50 PolarHBondContact O-N 2.92Å; D48-S52 WeakPolarHBondContact O-CA 3.48Å; D48-S52 WeakPolarHBondContact O-CB 3.28Å; D48-S52 PolarHBondContact O-N 2.89Å; D48-V55 HydrophobicContact CB-CG2 4.18Å; D48-Y109 WeakPolarHBondContact OD1-CE1 3.39Å; D48-Y109 PolarHBondContact OD1-OH 2.84Å |
| 49 | Q | 80.9 | Confident | 78 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 2% | 0.023 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.2 | -22 | 176.1 | -65.2 | 171.2 | -69.9 | 0 | 0 | 113 | L34 D38 S46 L47 | L34-Q49 HydrophobicContact CD1-CB 4.33Å; L34-Q49 HydrophobicContact CD2-CB 4.39Å; D38-Q49 PolarHBondContact OD1-NE2 2.81Å; D38-Q49 PolarHBondContact OD2-NE2 3.08Å; D38-Q49 PolarHBondContact OD2-OE1 3.39Å; S46-Q49 VanDerWaalsContact N-OE1 3.1Å; S46-Q49 PolarHBondContact O-N 2.69Å; S46-Q49 PolarHBondContact O-OE1 2.93Å; L47-Q49 PolarHBondContact O-N 3.46Å |
| 50 | I | 83.6 | Confident | 77.9 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -93.4 | -48 | 178.7 | -61.7 | 170.6 | 0 | 0 | 0 | 110.1 | L30 L34 L47 D48 H102 | L30-I50 HydrophobicContact CD2-CG2 4Å; L34-I50 HydrophobicContact CD1-CD1 4.19Å; L34-I50 HydrophobicContact CD1-CG1 3.34Å; L47-I50 HydrophobicContact CD2-CD1 4.43Å; L47-I50 PolarHBondContact O-N 3.31Å; D48-I50 PolarHBondContact O-N 2.92Å; I50-H102 PolarHBondContact O-CE1 2.6Å |
| 51 | F | 82.2 | Confident | 77.8 | Confident | 44 Ų | 44 | 72.8 Ų | 72.8 | 19% | 0.193 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -109.2 | -20.7 | -167.3 | -64.7 | -72.1 | 0 | 0 | 0 | 114.9 | Y27 L47 Y53 Y109 N110 | Y27-F51 HydrophobicContact CD1-CZ 4.49Å; Y27-F51 AromaticContact CE1-CE1 3.94Å; Y27-F51 HydrophobicContact CE1-CE1 3.94Å; Y27-F51 AromaticContact CE1-CZ 3.9Å; Y27-F51 HydrophobicContact CE1-CZ 3.9Å; L47-F51 PolarHBondContact O-N 3.45Å; F51-Y53 PolarHBondContact O-N 3.46Å; F51-Y109 HydrophobicContact CB-CD1 3.55Å; F51-Y109 HydrophobicContact CB-CD2 4.05Å; F51-Y109 HydrophobicContact CB-CE1 4.12Å; F51-Y109 HydrophobicContact CB-CG 3.51Å; F51-Y109 HydrophobicContact CD2-CD2 4.41Å; F51-Y109 HydrophobicContact CG-CD2 4.37Å; F51-Y109 HydrophobicContact CG-CG 4.21Å; F51-N110 PolarHBondContact O-ND2 2.93Å |
| 52 | S | 78.4 | Confident | 77.8 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | trans | -80.3 | 123.9 | -179.8 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | D48 E54 | D48-S52 WeakPolarHBondContact O-CA 3.48Å; D48-S52 WeakPolarHBondContact O-CB 3.28Å; D48-S52 PolarHBondContact O-N 2.89Å; S52-E54 VanDerWaalsContact C-N 3.29Å; S52-E54 PolarHBondContact O-N 3.44Å | ||
| 53 | Y | 74.2 | Confident | 78.1 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -17.9 | 177.5 | 56.2 | -106.9 | 0 | 0 | 0 | 113 | F51 N110 P114 A116 | F51-Y53 PolarHBondContact O-N 3.46Å; Y53-N110 HydrophobicContact CD1-CB 3.94Å; Y53-N110 HydrophobicContact CE1-CB 3.32Å; Y53-N110 VanDerWaalsContact CE1-CG 3.43Å; Y53-P114 HydrophobicContact CD1-CB 4Å; Y53-P114 HydrophobicContact CG-CB 4.26Å; Y53-A116 HydrophobicContact CD2-CB 4Å |
| 54 | E | 69.1 | Low | 78.8 | Confident | 146 Ų | 146 | 67 Ų | 67 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -30 | -179.1 | -60.9 | -170.1 | 170.5 | 0 | 0 | 112.3 | S52 L56 | S52-E54 VanDerWaalsContact C-N 3.29Å; S52-E54 PolarHBondContact O-N 3.44Å; E54-L56 VanDerWaalsContact C-N 3.33Å |
| 55 | V | 72.8 | Confident | 79.4 | Confident | 31 Ų | 31 | 62 Ų | 62 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -27.4 | -178.9 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | D48 G57 Q62 G63 | D48-V55 HydrophobicContact CB-CG2 4.18Å; V55-G57 PolarHBondContact O-N 3.25Å; V55-Q62 HydrophobicContact CG1-CG 4.42Å; V55-G63 WeakPolarHBondContact O-CA 3.4Å |
| 56 | L | 74.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -75.2 | 69.2 | 173.6 | -101.9 | 87 | 0 | 0 | 0 | 111.4 | E54 F70 S118 V122 | E54-L56 VanDerWaalsContact C-N 3.33Å; L56-F70 HydrophobicContact CD1-CD2 4.42Å; L56-F70 HydrophobicContact CD1-CE2 3.87Å; L56-F70 HydrophobicContact CD2-CD2 4.47Å; L56-F70 HydrophobicContact CD2-CE2 4.47Å; L56-S118 WeakPolarHBondContact O-CB 3.28Å; L56-S118 PolarHBondContact O-OG 2.86Å; L56-V122 HydrophobicContact CD2-CB 3.89Å; L56-V122 HydrophobicContact CD2-CG1 3.73Å; L56-V122 HydrophobicContact CD2-CG2 4.17Å | ||
| 57 | G | 74.2 | Confident | 80.6 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | trans | -113.7 | 147.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | V55 A59 G63 | V55-G57 PolarHBondContact O-N 3.25Å; G57-A59 VanDerWaalsContact C-N 3.28Å; G57-A59 PolarHBondContact O-N 3.01Å; G57-G63 CarbonylContact O-C 3.59Å; G57-G63 WeakPolarHBondContact O-CA 3.49Å | ||
| 58 | F | 76.7 | Confident | 81.2 | Confident | 115 Ų | 115 | 53.6 Ų | 53.6 | 50% | 0.504 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.4 | -23.1 | 173.9 | -61.5 | -76.9 | 0 | 0 | 0 | 113.2 | R64 M67 | F58-R64 PolarHBondContact O-NH1 3.35Å; F58-M67 HydrophobicContact CD1-CE 3.48Å; F58-M67 VanDerWaalsContact CD1-CE 3.48Å; F58-M67 HydrophobicContact CD1-SD 3.69Å; F58-M67 HydrophobicContact CE1-CE 3.83Å; F58-M67 HydrophobicContact CE1-SD 3.39Å; F58-M67 WeakPolarHBondContact CE1-SD 3.49Å; F58-M67 HydrophobicContact CG-CE 4.26Å; F58-M67 HydrophobicContact CZ-SD 4.07Å |
| 59 | A | 78.2 | Confident | 81.8 | Confident | 93 Ų | 93 | 50.7 Ų | 50.7 | 77% | 0.769 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -72.6 | -42 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G57 R64 | G57-A59 VanDerWaalsContact C-N 3.28Å; G57-A59 PolarHBondContact O-N 3.01Å; A59-R64 PolarHBondContact O-NH1 2.88Å |
| 60 | T | 83.8 | Confident | 82.3 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 44% | 0.436 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -85.3 | 145.3 | -173.7 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | Q62 G63 R64 | T60-Q62 VanDerWaalsContact C-N 3.29Å; T60-Q62 PolarHBondContact O-N 3.43Å; T60-G63 PolarHBondContact O-N 3.48Å; T60-G63 PolarHBondContact OG1-N 2.99Å; T60-G63 VanDerWaalsContact OG1-N 3.14Å; T60-R64 PolarHBondContact O-N 3.33Å; T60-R64 PolarHBondContact O-NH1 3.29Å |
| 61 | M | 82.8 | Confident | 82.8 | Confident | 139 Ų | 139 | 52.9 Ų | 52.9 | 69% | 0.685 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.4 | -43.5 | 173.3 | -72.5 | -78.6 | 170.9 | 0 | 0 | 110.8 | G63 R64 L65 | M61-G63 PolarHBondContact O-N 3.03Å; M61-R64 PolarHBondContact O-N 3.48Å; M61-R64 PolarHBondContact SD-NH2 2.88Å; M61-L65 WeakPolarHBondContact O-CG 3.3Å; M61-L65 PolarHBondContact O-N 3.07Å; M61-L65 VanDerWaalsContact O-N 3.07Å |
| 62 | Q | 83.5 | Confident | 83.4 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 178 | -171 | 176 | 8.8 | 0 | 0 | 112.2 | V55 T60 R64 L65 S66 | V55-Q62 HydrophobicContact CG1-CG 4.42Å; T60-Q62 VanDerWaalsContact C-N 3.29Å; T60-Q62 PolarHBondContact O-N 3.43Å; Q62-R64 VanDerWaalsContact C-N 3.34Å; Q62-R64 PolarHBondContact O-N 2.93Å; Q62-L65 PolarHBondContact O-N 3.18Å; Q62-S66 PolarHBondContact O-N 3.17Å; Q62-S66 PolarHBondContact O-OG 2.95Å |
| 63 | G | 85.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V55 G57 T60 M61 S66 M67 | V55-G63 WeakPolarHBondContact O-CA 3.4Å; G57-G63 CarbonylContact O-C 3.59Å; G57-G63 WeakPolarHBondContact O-CA 3.49Å; T60-G63 PolarHBondContact O-N 3.48Å; T60-G63 PolarHBondContact OG1-N 2.99Å; T60-G63 VanDerWaalsContact OG1-N 3.14Å; M61-G63 PolarHBondContact O-N 3.03Å; G63-S66 PolarHBondContact O-N 3.4Å; G63-M67 VanDerWaalsContact O-CG 3.3Å; G63-M67 WeakPolarHBondContact O-CG 3.33Å; G63-M67 PolarHBondContact O-N 3.34Å |
| 64 | R | 87.1 | Confident | 85.2 | Confident | 90 Ų | 90 | 51.7 Ų | 51.7 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.7 | -71 | -167.7 | -64.5 | -84 | 3.7 | 113.3 | F58 A59 T60 M61 Q62 M67 M68 | F58-R64 PolarHBondContact O-NH1 3.35Å; A59-R64 PolarHBondContact O-NH1 2.88Å; T60-R64 PolarHBondContact O-N 3.33Å; T60-R64 PolarHBondContact O-NH1 3.29Å; M61-R64 PolarHBondContact O-N 3.48Å; M61-R64 PolarHBondContact SD-NH2 2.88Å; Q62-R64 VanDerWaalsContact C-N 3.34Å; Q62-R64 PolarHBondContact O-N 2.93Å; R64-M67 HydrophobicContact CB-CE 4.22Å; R64-M67 HydrophobicContact CG-CE 3.79Å; R64-M67 PolarHBondContact O-N 3.34Å; R64-M68 WeakPolarHBondContact O-CG 3.5Å; R64-M68 PolarHBondContact O-N 3.41Å |
| 65 | L | 88.1 | Confident | 86.5 | Confident | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 176.6 | -72.5 | 178.8 | 0 | 0 | 0 | 111.7 | V37 V41 M61 Q62 M67 M68 A69 | V37-L65 HydrophobicContact CG1-CB 3.58Å; V37-L65 HydrophobicContact CG1-CD1 4.06Å; V37-L65 HydrophobicContact CG1-CD2 3.72Å; V37-L65 HydrophobicContact CG1-CG 3.96Å; V41-L65 HydrophobicContact CB-CD1 4.13Å; V41-L65 HydrophobicContact CG1-CD1 4.05Å; V41-L65 HydrophobicContact CG2-CD1 3.7Å; M61-L65 WeakPolarHBondContact O-CG 3.3Å; M61-L65 PolarHBondContact O-N 3.07Å; M61-L65 VanDerWaalsContact O-N 3.07Å; Q62-L65 PolarHBondContact O-N 3.18Å; L65-M67 PolarHBondContact O-N 3.37Å; L65-M68 PolarHBondContact O-N 3.01Å; L65-A69 PolarHBondContact O-N 3.05Å |
| 66 | S | 89 | Confident | 87.5 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 172.2 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | Q62 G63 M68 A69 F70 | Q62-S66 PolarHBondContact O-N 3.17Å; Q62-S66 PolarHBondContact O-OG 2.95Å; G63-S66 PolarHBondContact O-N 3.4Å; S66-M68 VanDerWaalsContact C-N 3.32Å; S66-M68 PolarHBondContact O-N 2.98Å; S66-A69 WeakPolarHBondContact O-CA 3.45Å; S66-A69 WeakPolarHBondContact O-CB 3.17Å; S66-A69 PolarHBondContact O-N 3.12Å; S66-F70 VanDerWaalsContact O-CD2 3.31Å; S66-F70 WeakPolarHBondContact O-CD2 3.43Å; S66-F70 PolarHBondContact O-N 2.94Å |
| 67 | M | 89.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58 | -42.3 | 176 | -73.6 | -173.6 | -66.3 | 0 | 0 | 112.7 | F58 G63 R64 L65 A69 F70 I71 V122 | F58-M67 HydrophobicContact CD1-CE 3.48Å; F58-M67 VanDerWaalsContact CD1-CE 3.48Å; F58-M67 HydrophobicContact CD1-SD 3.69Å; F58-M67 HydrophobicContact CE1-CE 3.83Å; F58-M67 HydrophobicContact CE1-SD 3.39Å; F58-M67 WeakPolarHBondContact CE1-SD 3.49Å; F58-M67 HydrophobicContact CG-CE 4.26Å; F58-M67 HydrophobicContact CZ-SD 4.07Å; G63-M67 VanDerWaalsContact O-CG 3.3Å; G63-M67 WeakPolarHBondContact O-CG 3.33Å; G63-M67 PolarHBondContact O-N 3.34Å; R64-M67 HydrophobicContact CB-CE 4.22Å; R64-M67 HydrophobicContact CG-CE 3.79Å; R64-M67 PolarHBondContact O-N 3.34Å; L65-M67 PolarHBondContact O-N 3.37Å; M67-A69 VanDerWaalsContact C-N 3.32Å; M67-A69 PolarHBondContact O-N 2.96Å; M67-F70 PolarHBondContact O-N 3.43Å; M67-I71 WeakPolarHBondContact O-CG1 3.43Å; M67-I71 PolarHBondContact O-N 2.69Å; M67-V122 HydrophobicContact CG-CG1 4.29Å; M67-V122 HydrophobicContact CG-CG2 3.64Å; M67-V122 HydrophobicContact SD-CG2 3.47Å; M67-V122 WeakPolarHBondContact SD-CG2 3.28Å |
| 68 | M | 90.4 | Very high | 89.5 | Confident | 113 Ų | 113 | 46.9 Ų | 46.9 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.8 | -42 | 174.4 | -70.6 | 179.7 | 67.8 | 0 | 0 | 111.6 | R64 L65 S66 I71 L72 | R64-M68 WeakPolarHBondContact O-CG 3.5Å; R64-M68 PolarHBondContact O-N 3.41Å; L65-M68 PolarHBondContact O-N 3.01Å; S66-M68 VanDerWaalsContact C-N 3.32Å; S66-M68 PolarHBondContact O-N 2.98Å; M68-I71 PolarHBondContact O-N 2.91Å; M68-L72 VanDerWaalsContact O-CG 3.32Å; M68-L72 WeakPolarHBondContact O-CG 3.46Å; M68-L72 PolarHBondContact O-N 2.89Å |
| 69 | A | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W33 L34 L65 S66 M67 L72 N73 | W33-A69 HydrophobicContact CB-CB 3.93Å; L34-A69 HydrophobicContact CD2-CB 3.65Å; L34-A69 HydrophobicContact CG-CB 4.01Å; L65-A69 PolarHBondContact O-N 3.05Å; S66-A69 WeakPolarHBondContact O-CA 3.45Å; S66-A69 WeakPolarHBondContact O-CB 3.17Å; S66-A69 PolarHBondContact O-N 3.12Å; M67-A69 VanDerWaalsContact C-N 3.32Å; M67-A69 PolarHBondContact O-N 2.96Å; A69-L72 PolarHBondContact O-N 2.93Å; A69-N73 VanDerWaalsContact O-CB 3.24Å; A69-N73 WeakPolarHBondContact O-CB 3.24Å; A69-N73 PolarHBondContact O-N 3.02Å |
| 70 | F | 93.1 | Very high | 91 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 174.5 | -89.2 | -89.2 | 0 | 0 | 0 | 112.1 | Y26 L30 L56 S66 M67 N73 S74 H102 V122 | Y26-F70 WeakPolarHBondContact OH-CE1 3.38Å; L30-F70 HydrophobicContact CD1-CD1 4.17Å; L30-F70 HydrophobicContact CD1-CD2 4.12Å; L30-F70 HydrophobicContact CD1-CE1 4.23Å; L30-F70 HydrophobicContact CD1-CE2 4.16Å; L30-F70 HydrophobicContact CD1-CG 4.12Å; L30-F70 HydrophobicContact CD1-CZ 4.22Å; L30-F70 HydrophobicContact CD2-CE1 3.94Å; L30-F70 HydrophobicContact CD2-CZ 3.92Å; L56-F70 HydrophobicContact CD1-CD2 4.42Å; L56-F70 HydrophobicContact CD1-CE2 3.87Å; L56-F70 HydrophobicContact CD2-CD2 4.47Å; L56-F70 HydrophobicContact CD2-CE2 4.47Å; S66-F70 VanDerWaalsContact O-CD2 3.31Å; S66-F70 WeakPolarHBondContact O-CD2 3.43Å; S66-F70 PolarHBondContact O-N 2.94Å; M67-F70 PolarHBondContact O-N 3.43Å; F70-N73 PolarHBondContact O-N 3.46Å; F70-S74 PolarHBondContact O-N 2.89Å; F70-H102 AromaticContact CE1-NE2 3.65Å; F70-H102 AromaticContact CZ-NE2 3.9Å; F70-V122 HydrophobicContact CB-CG1 4.19Å |
| 71 | I | 94.1 | Very high | 91.5 | Very high | 75 Ų | 75 | 38.3 Ų | 38.3 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 176.6 | -67.5 | 166.6 | 0 | 0 | 0 | 110.4 | M67 M68 N73 S74 L75 L129 | M67-I71 WeakPolarHBondContact O-CG1 3.43Å; M67-I71 PolarHBondContact O-N 2.69Å; M68-I71 PolarHBondContact O-N 2.91Å; I71-N73 VanDerWaalsContact C-N 3.28Å; I71-N73 PolarHBondContact O-N 3.39Å; I71-S74 WeakPolarHBondContact O-CB 3.45Å; I71-S74 PolarHBondContact O-N 3.33Å; I71-S74 VanDerWaalsContact O-N 3.12Å; I71-S74 PolarHBondContact O-OG 3.22Å; I71-L75 PolarHBondContact O-N 3.47Å; I71-L129 HydrophobicContact CG2-CD1 4.27Å |
| 72 | L | 94.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 32% | 0.319 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.9 | -40.5 | 176.5 | -69.5 | 172.3 | 0 | 0 | 0 | 111.6 | W33 M68 A69 S74 L75 T76 | W33-L72 HydrophobicContact CD2-CB 3.86Å; W33-L72 HydrophobicContact CD2-CD1 4.19Å; W33-L72 HydrophobicContact CE3-CB 4.27Å; W33-L72 HydrophobicContact CE3-CD1 3.74Å; W33-L72 HydrophobicContact CG-CB 4.2Å; W33-L72 HydrophobicContact CH2-CD1 4.36Å; W33-L72 HydrophobicContact CZ2-CB 4.18Å; W33-L72 HydrophobicContact CZ3-CD1 3.84Å; M68-L72 VanDerWaalsContact O-CG 3.32Å; M68-L72 WeakPolarHBondContact O-CG 3.46Å; M68-L72 PolarHBondContact O-N 2.89Å; A69-L72 PolarHBondContact O-N 2.93Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-S74 PolarHBondContact O-N 3.49Å; L72-L75 WeakPolarHBondContact O-CB 3.47Å; L72-L75 PolarHBondContact O-N 3.12Å; L72-T76 PolarHBondContact O-N 3.41Å; L72-T76 PolarHBondContact O-OG1 3.46Å; L72-T76 VanDerWaalsContact O-OG1 3.13Å |
| 73 | N | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 175.4 | -170 | 55.6 | 0 | 0 | 0 | 112.2 | Y26 F29 L30 A69 F70 I71 L75 T76 C77 | Y26-N73 VanDerWaalsContact CD2-ND2 3.27Å; Y26-N73 WeakPolarHBondContact CD2-ND2 3.35Å; Y26-N73 VanDerWaalsContact CE2-ND2 3.31Å; Y26-N73 WeakPolarHBondContact CE2-ND2 3.43Å; Y26-N73 PolarHBondContact O-ND2 3.48Å; Y26-N73 PolarHBondContact O-OD1 3.32Å; F29-N73 WeakPolarHBondContact CB-OD1 3.17Å; L30-N73 HydrophobicContact CB-CB 4.48Å; L30-N73 HydrophobicContact CD1-CB 4.11Å; L30-N73 PolarHBondContact N-OD1 3.46Å; L30-N73 VanDerWaalsContact N-OD1 3.08Å; A69-N73 VanDerWaalsContact O-CB 3.24Å; A69-N73 WeakPolarHBondContact O-CB 3.24Å; A69-N73 PolarHBondContact O-N 3.02Å; F70-N73 PolarHBondContact O-N 3.46Å; I71-N73 VanDerWaalsContact C-N 3.28Å; I71-N73 PolarHBondContact O-N 3.39Å; N73-L75 VanDerWaalsContact C-N 3.28Å; N73-L75 PolarHBondContact O-N 2.78Å; N73-T76 PolarHBondContact O-N 3.08Å; N73-C77 WeakPolarHBondContact O-CB 3.47Å; N73-C77 PolarHBondContact O-N 3.32Å; N73-C77 PolarHBondContact O-SG 3.32Å |
| 74 | S | 95 | Very high | 92.4 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -37.7 | 175.5 | 79.5 | 0 | 0 | 0 | 0 | 112.2 | F70 I71 L72 C77 A78 | F70-S74 PolarHBondContact O-N 2.89Å; I71-S74 WeakPolarHBondContact O-CB 3.45Å; I71-S74 PolarHBondContact O-N 3.33Å; I71-S74 VanDerWaalsContact O-N 3.12Å; I71-S74 PolarHBondContact O-OG 3.22Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-S74 PolarHBondContact O-N 3.49Å; S74-C77 PolarHBondContact O-N 2.86Å; S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 3.44Å |
| 75 | L | 95.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 38.9 Ų | 38.9 | 36% | 0.361 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 175.1 | -59.3 | 177.9 | 0 | 0 | 0 | 111.4 | I71 L72 N73 C77 A78 L79 I133 | I71-L75 PolarHBondContact O-N 3.47Å; L72-L75 WeakPolarHBondContact O-CB 3.47Å; L72-L75 PolarHBondContact O-N 3.12Å; N73-L75 VanDerWaalsContact C-N 3.28Å; N73-L75 PolarHBondContact O-N 2.78Å; L75-C77 VanDerWaalsContact C-N 3.31Å; L75-C77 PolarHBondContact O-N 3.4Å; L75-A78 WeakPolarHBondContact O-CB 3.18Å; L75-A78 PolarHBondContact O-N 3.48Å; L75-L79 PolarHBondContact O-N 2.92Å; L75-L79 VanDerWaalsContact O-N 3.16Å; L75-I133 HydrophobicContact CD2-CD1 3.33Å |
| 76 | T | 95.1 | Very high | 91.9 | Very high | 25 Ų | 25 | 44.7 Ų | 44.7 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.9 | -50.6 | 0 | 0 | 0 | 0 | 111.4 | F29 W33 L72 N73 A78 L79 G80 | F29-T76 HydrophobicContact CB-CG2 4.08Å; F29-T76 HydrophobicContact CD1-CG2 3.63Å; F29-T76 HydrophobicContact CD2-CG2 3.9Å; F29-T76 HydrophobicContact CE1-CG2 3.93Å; F29-T76 HydrophobicContact CE2-CG2 4.2Å; F29-T76 HydrophobicContact CG-CG2 3.6Å; F29-T76 HydrophobicContact CZ-CG2 4.2Å; W33-T76 PolarHBondContact NE1-OG1 2.87Å; W33-T76 VanDerWaalsContact NE1-OG1 3.09Å; L72-T76 PolarHBondContact O-N 3.41Å; L72-T76 PolarHBondContact O-OG1 3.46Å; L72-T76 VanDerWaalsContact O-OG1 3.13Å; N73-T76 PolarHBondContact O-N 3.08Å; T76-A78 PolarHBondContact O-N 3.42Å; T76-L79 WeakPolarHBondContact O-CB 3.21Å; T76-L79 PolarHBondContact O-N 2.92Å; T76-G80 PolarHBondContact O-N 2.94Å |
| 77 | C | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -34.2 | 177 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | M22 N73 S74 L75 L79 G80 L81 M130 | M22-C77 HydrophobicContact CE-CB 4.39Å; N73-C77 WeakPolarHBondContact O-CB 3.47Å; N73-C77 PolarHBondContact O-N 3.32Å; N73-C77 PolarHBondContact O-SG 3.32Å; S74-C77 PolarHBondContact O-N 2.86Å; L75-C77 VanDerWaalsContact C-N 3.31Å; L75-C77 PolarHBondContact O-N 3.4Å; C77-L79 VanDerWaalsContact C-N 3.29Å; C77-L79 PolarHBondContact O-N 3.17Å; C77-G80 CarbonylContact O-C 3.58Å; C77-G80 WeakPolarHBondContact O-CA 3.23Å; C77-G80 PolarHBondContact O-N 3.34Å; C77-G80 VanDerWaalsContact O-N 3.07Å; C77-L81 WeakPolarHBondContact O-CG 3.06Å; C77-L81 PolarHBondContact O-N 3.4Å; C77-M130 HydrophobicContact CB-CE 3.65Å; C77-M130 HydrophobicContact CB-CG 4.15Å; C77-M130 HydrophobicContact CB-SD 3.45Å; C77-M130 WeakPolarHBondContact CB-SD 3.32Å |
| 78 | A | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S74 L75 T76 G80 L81 W82 I133 | S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 3.44Å; L75-A78 WeakPolarHBondContact O-CB 3.18Å; L75-A78 PolarHBondContact O-N 3.48Å; T76-A78 PolarHBondContact O-N 3.42Å; A78-G80 VanDerWaalsContact C-N 3.34Å; A78-L81 PolarHBondContact O-N 3.31Å; A78-W82 WeakPolarHBondContact O-CB 3.49Å; A78-W82 PolarHBondContact O-N 2.98Å; A78-I133 HydrophobicContact CB-CB 3.95Å; A78-I133 HydrophobicContact CB-CG2 3.78Å |
| 79 | L | 94.4 | Very high | 90.9 | Very high | 92 Ų | 92 | 52 Ų | 52 | 48% | 0.482 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 172 | -61.7 | 175.2 | 0 | 0 | 0 | 111.8 | L75 T76 C77 W82 F83 L137 | L75-L79 PolarHBondContact O-N 2.92Å; L75-L79 VanDerWaalsContact O-N 3.16Å; T76-L79 WeakPolarHBondContact O-CB 3.21Å; T76-L79 PolarHBondContact O-N 2.92Å; C77-L79 VanDerWaalsContact C-N 3.29Å; C77-L79 PolarHBondContact O-N 3.17Å; L79-W82 HydrophobicContact CD2-CE3 4.18Å; L79-W82 WeakPolarHBondContact O-CB 3.44Å; L79-W82 PolarHBondContact O-N 3.35Å; L79-F83 WeakPolarHBondContact O-CB 3.31Å; L79-F83 PolarHBondContact O-N 2.85Å; L79-L137 HydrophobicContact CD2-CD1 3.95Å |
| 80 | G | 92.5 | Very high | 90.6 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T76 C77 A78 W82 F83 F84 | T76-G80 PolarHBondContact O-N 2.94Å; C77-G80 CarbonylContact O-C 3.58Å; C77-G80 WeakPolarHBondContact O-CA 3.23Å; C77-G80 PolarHBondContact O-N 3.34Å; C77-G80 VanDerWaalsContact O-N 3.07Å; A78-G80 VanDerWaalsContact C-N 3.34Å; G80-W82 VanDerWaalsContact C-N 3.27Å; G80-W82 PolarHBondContact O-N 2.92Å; G80-F83 PolarHBondContact O-N 3.47Å; G80-F84 VanDerWaalsContact O-CD2 3.28Å; G80-F84 WeakPolarHBondContact O-CD2 3.27Å; G80-F84 PolarHBondContact O-N 3.39Å |
| 81 | L | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.2 | -46.7 | 174.2 | -66.1 | 173.6 | 0 | 0 | 0 | 110.9 | M22 C77 A78 F83 I85 R86 C91 F94 T95 M130 | M22-L81 HydrophobicContact CE-CD2 3.61Å; M22-L81 HydrophobicContact CE-CG 3.8Å; M22-L81 HydrophobicContact SD-CD2 4.09Å; C77-L81 WeakPolarHBondContact O-CG 3.06Å; C77-L81 PolarHBondContact O-N 3.4Å; A78-L81 PolarHBondContact O-N 3.31Å; L81-F83 PolarHBondContact O-N 3.34Å; L81-I85 HydrophobicContact CD2-CD1 3.41Å; L81-I85 VanDerWaalsContact CD2-CD1 3.41Å; L81-I85 HydrophobicContact CD2-CG1 4.31Å; L81-I85 WeakPolarHBondContact O-CA 3.26Å; L81-I85 VanDerWaalsContact O-CB 3.3Å; L81-I85 WeakPolarHBondContact O-CB 3.45Å; L81-I85 PolarHBondContact O-N 3.22Å; L81-R86 PolarHBondContact O-N 2.83Å; L81-C91 HydrophobicContact CD1-CB 4.3Å; L81-F94 HydrophobicContact CD2-CB 3.84Å; L81-T95 VanDerWaalsContact CD1-OG1 3.32Å; L81-T95 WeakPolarHBondContact CD1-OG1 3.42Å; L81-M130 HydrophobicContact CD1-CE 3.64Å; L81-M130 HydrophobicContact CD1-CG 3.76Å; L81-M130 HydrophobicContact CD2-CE 3.93Å; L81-M130 HydrophobicContact CG-CE 3.75Å |
| 82 | W | 93.1 | Very high | 90.4 | Very high | 96 Ų | 96 | 55 Ų | 55 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 179.2 | 174 | 49.9 | 0 | 0 | 0 | 113.1 | A78 L79 G80 R86 L137 T141 | A78-W82 WeakPolarHBondContact O-CB 3.49Å; A78-W82 PolarHBondContact O-N 2.98Å; L79-W82 HydrophobicContact CD2-CE3 4.18Å; L79-W82 WeakPolarHBondContact O-CB 3.44Å; L79-W82 PolarHBondContact O-N 3.35Å; G80-W82 VanDerWaalsContact C-N 3.27Å; G80-W82 PolarHBondContact O-N 2.92Å; W82-R86 WeakPolarHBondContact O-CG 3.33Å; W82-L137 HydrophobicContact CB-CB 3.94Å; W82-L137 HydrophobicContact CB-CD1 4.22Å; W82-L137 HydrophobicContact CD2-CB 4.38Å; W82-L137 HydrophobicContact CG-CB 3.72Å; W82-L137 HydrophobicContact CG-CD1 4.36Å; W82-T141 HydrophobicContact CZ2-CG2 4.01Å; W82-T141 PolarHBondContact NE1-OG1 3.15Å |
| 83 | F | 90.1 | Very high | 90.3 | Very high | 117 Ų | 117 | 56.7 Ų | 56.7 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74.7 | -42.8 | -175.3 | -170.7 | -101.1 | 0 | 0 | 0 | 113.1 | L79 G80 L81 R86 | L79-F83 WeakPolarHBondContact O-CB 3.31Å; L79-F83 PolarHBondContact O-N 2.85Å; G80-F83 PolarHBondContact O-N 3.47Å; L81-F83 PolarHBondContact O-N 3.34Å; F83-R86 PolarHBondContact O-NE 3.45Å; F83-R86 VanDerWaalsContact O-NE 3.08Å |
| 84 | F | 88.4 | Confident | 90.2 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 37% | 0.368 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -96.3 | -37.1 | -170.1 | -65.4 | -70.2 | 0 | 0 | 0 | 114.4 | Q18 L21 I25 G80 | Q18-F84 PolarHBondContact NE2-O 3.42Å; L21-F84 HydrophobicContact CD2-CB 4.1Å; L21-F84 HydrophobicContact CD2-CD1 3.38Å; L21-F84 HydrophobicContact CD2-CD2 3.79Å; L21-F84 HydrophobicContact CD2-CE1 3.62Å; L21-F84 HydrophobicContact CD2-CE2 4.03Å; L21-F84 HydrophobicContact CD2-CG 3.48Å; L21-F84 VanDerWaalsContact CD2-CG 3.48Å; L21-F84 HydrophobicContact CD2-CZ 3.93Å; I25-F84 HydrophobicContact CD1-CD2 3.85Å; I25-F84 HydrophobicContact CD1-CE2 3.52Å; I25-F84 HydrophobicContact CD1-CZ 4.48Å; G80-F84 VanDerWaalsContact O-CD2 3.28Å; G80-F84 WeakPolarHBondContact O-CD2 3.27Å; G80-F84 PolarHBondContact O-N 3.39Å |
| 85 | I | 85.4 | Confident | 90.2 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -40.6 | -174.9 | -50.7 | -165.8 | 0 | 0 | 0 | 110.6 | M22 L81 R87 Q90 F94 | M22-I85 HydrophobicContact CG-CD1 4.45Å; L81-I85 HydrophobicContact CD2-CD1 3.41Å; L81-I85 VanDerWaalsContact CD2-CD1 3.41Å; L81-I85 HydrophobicContact CD2-CG1 4.31Å; L81-I85 WeakPolarHBondContact O-CA 3.26Å; L81-I85 VanDerWaalsContact O-CB 3.3Å; L81-I85 WeakPolarHBondContact O-CB 3.45Å; L81-I85 PolarHBondContact O-N 3.22Å; I85-R87 HydrophobicContact CG2-CB 4.48Å; I85-R87 PolarHBondContact O-N 3.47Å; I85-Q90 HydrophobicContact CG2-CB 4.18Å; I85-F94 HydrophobicContact CD1-CB 3.65Å; I85-F94 HydrophobicContact CD1-CD1 3.64Å; I85-F94 HydrophobicContact CD1-CD2 3.36Å; I85-F94 HydrophobicContact CD1-CE1 4.03Å; I85-F94 HydrophobicContact CD1-CE2 3.77Å; I85-F94 HydrophobicContact CD1-CG 3.26Å; I85-F94 HydrophobicContact CD1-CZ 4.08Å; I85-F94 HydrophobicContact CG2-CD2 4.31Å; I85-F94 HydrophobicContact CG2-CE2 4.18Å |
| 86 | R | 80 | Confident | 90.2 | Very high | 164 Ų | 164 | 56.7 Ų | 56.7 | 62% | 0.619 | 26% | 0.261 | S | S | * | . | trans | 55.2 | 1.8 | 176.2 | -60.5 | -176.6 | 179 | -164 | -1.6 | 116 | L81 W82 F83 | L81-R86 PolarHBondContact O-N 2.83Å; W82-R86 WeakPolarHBondContact O-CG 3.33Å; F83-R86 PolarHBondContact O-NE 3.45Å; F83-R86 VanDerWaalsContact O-NE 3.08Å | ||
| 87 | R | 81.9 | Confident | 90.2 | Very high | 105 Ų | 105 | 57.6 Ų | 57.6 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | trans | -119.4 | 107.1 | -175 | -146.8 | 175.9 | -163.3 | 167 | -0.7 | 108.9 | Y8 I85 K89 Q90 C91 | Y8-R87 VanDerWaalsContact CE2-NH2 3.3Å; Y8-R87 VanDerWaalsContact OH-CZ 3.23Å; Y8-R87 PolarHBondContact OH-NH1 2.89Å; I85-R87 HydrophobicContact CG2-CB 4.48Å; I85-R87 PolarHBondContact O-N 3.47Å; R87-K89 VanDerWaalsContact C-N 3.32Å; R87-K89 PolarHBondContact O-N 3.23Å; R87-Q90 VanDerWaalsContact CD-OE1 3.27Å; R87-Q90 PolarHBondContact O-N 3.16Å; R87-C91 PolarHBondContact O-SG 3.37Å | ||
| 88 | G | 81.4 | Confident | 90.2 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -57.4 | -43.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q90 C91 | G88-Q90 PolarHBondContact O-N 2.93Å; G88-C91 WeakPolarHBondContact O-CB 3.43Å; G88-C91 PolarHBondContact O-N 3.21Å |
| 89 | K | 83.7 | Confident | 90.1 | Very high | 179 Ų | 179 | 58 Ų | 58 | 78% | 0.778 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -59.8 | -20.4 | -178.1 | -64.8 | -162.9 | 173.5 | 88 | 0 | 115.2 | R87 | R87-K89 VanDerWaalsContact C-N 3.32Å; R87-K89 PolarHBondContact O-N 3.23Å |
| 90 | Q | 87 | Confident | 90.1 | Very high | 45 Ų | 45 | 58.8 Ų | 58.8 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -97.6 | -11.2 | 180 | -64.4 | 179.7 | -63.5 | 0 | 0 | 112.4 | I85 R87 G88 L92 D93 F94 | I85-Q90 HydrophobicContact CG2-CB 4.18Å; R87-Q90 VanDerWaalsContact CD-OE1 3.27Å; R87-Q90 PolarHBondContact O-N 3.16Å; G88-Q90 PolarHBondContact O-N 2.93Å; Q90-L92 VanDerWaalsContact C-N 3.3Å; Q90-L92 PolarHBondContact O-N 2.97Å; Q90-D93 PolarHBondContact O-N 3.48Å; Q90-F94 HydrophobicContact CB-CD2 4.25Å; Q90-F94 HydrophobicContact CB-CE2 4.25Å; Q90-F94 WeakPolarHBondContact O-CD2 3.49Å; Q90-F94 PolarHBondContact O-N 3.08Å |
| 91 | C | 90 | Very high | 90.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -37.5 | -173.2 | -72 | 0 | 0 | 0 | 0 | 112.8 | L81 R87 G88 T95 E135 C138 | L81-C91 HydrophobicContact CD1-CB 4.3Å; R87-C91 PolarHBondContact O-SG 3.37Å; G88-C91 WeakPolarHBondContact O-CB 3.43Å; G88-C91 PolarHBondContact O-N 3.21Å; C91-T95 WeakPolarHBondContact O-CB 3.36Å; C91-T95 PolarHBondContact O-N 3.23Å; C91-T95 PolarHBondContact O-OG1 3.5Å; C91-E135 HydrophobicContact CB-CB 4.34Å; C91-C138 PolarHBondContact SG-SG 3.24Å |
| 92 | L | 92.3 | Very high | 90.2 | Very high | 93 Ų | 93 | 62.8 Ų | 62.8 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 176.6 | -172.3 | 155.1 | 0 | 0 | 0 | 111.1 | Q90 F94 T95 V96 | Q90-L92 VanDerWaalsContact C-N 3.3Å; Q90-L92 PolarHBondContact O-N 2.97Å; L92-F94 VanDerWaalsContact C-N 3.34Å; L92-F94 PolarHBondContact O-N 2.82Å; L92-T95 WeakPolarHBondContact O-CB 3.46Å; L92-T95 PolarHBondContact O-N 2.98Å; L92-T95 VanDerWaalsContact O-N 3.12Å; L92-V96 HydrophobicContact CD2-CG2 3.77Å; L92-V96 HydrophobicContact CG-CG2 4.42Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 3.01Å |
| 93 | D | 93.2 | Very high | 90 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.8 | -46.1 | -178.5 | -61 | -19.9 | 0 | 0 | 0 | 111.6 | Q90 T97 | Q90-D93 PolarHBondContact O-N 3.48Å; D93-T97 WeakPolarHBondContact O-CB 3.47Å; D93-T97 PolarHBondContact O-N 2.76Å; D93-T97 PolarHBondContact O-OG1 2.86Å |
| 94 | F | 93.1 | Very high | 90.1 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.8 | -40 | 176.9 | -81.3 | -89.9 | 0 | 0 | 0 | 112.2 | I15 Q18 I19 M22 L81 I85 Q90 L92 T97 V98 | I15-F94 HydrophobicContact CG2-CZ 4.31Å; Q18-F94 HydrophobicContact CB-CE1 3.68Å; Q18-F94 HydrophobicContact CB-CZ 3.93Å; I19-F94 HydrophobicContact CB-CE1 4.44Å; I19-F94 HydrophobicContact CG1-CD1 3.94Å; I19-F94 HydrophobicContact CG1-CE1 3.53Å; I19-F94 HydrophobicContact CG1-CZ 4.44Å; M22-F94 HydrophobicContact CG-CD1 4.46Å; L81-F94 HydrophobicContact CD2-CB 3.84Å; I85-F94 HydrophobicContact CD1-CB 3.65Å; I85-F94 HydrophobicContact CD1-CD1 3.64Å; I85-F94 HydrophobicContact CD1-CD2 3.36Å; I85-F94 HydrophobicContact CD1-CE1 4.03Å; I85-F94 HydrophobicContact CD1-CE2 3.77Å; I85-F94 HydrophobicContact CD1-CG 3.26Å; I85-F94 HydrophobicContact CD1-CZ 4.08Å; I85-F94 HydrophobicContact CG2-CD2 4.31Å; I85-F94 HydrophobicContact CG2-CE2 4.18Å; Q90-F94 HydrophobicContact CB-CD2 4.25Å; Q90-F94 HydrophobicContact CB-CE2 4.25Å; Q90-F94 WeakPolarHBondContact O-CD2 3.49Å; Q90-F94 PolarHBondContact O-N 3.08Å; L92-F94 VanDerWaalsContact C-N 3.34Å; L92-F94 PolarHBondContact O-N 2.82Å; F94-T97 PolarHBondContact O-N 3.4Å; F94-V98 VanDerWaalsContact O-CG2 3.22Å; F94-V98 WeakPolarHBondContact O-CG2 3.43Å; F94-V98 PolarHBondContact O-N 2.84Å |
| 95 | T | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | L81 C91 L92 T97 V98 H99 M127 M130 A131 | L81-T95 VanDerWaalsContact CD1-OG1 3.32Å; L81-T95 WeakPolarHBondContact CD1-OG1 3.42Å; C91-T95 WeakPolarHBondContact O-CB 3.36Å; C91-T95 PolarHBondContact O-N 3.23Å; C91-T95 PolarHBondContact O-OG1 3.5Å; L92-T95 WeakPolarHBondContact O-CB 3.46Å; L92-T95 PolarHBondContact O-N 2.98Å; L92-T95 VanDerWaalsContact O-N 3.12Å; T95-T97 VanDerWaalsContact C-N 3.34Å; T95-V98 PolarHBondContact O-N 2.99Å; T95-H99 PolarHBondContact O-N 3.13Å; T95-H99 PolarHBondContact O-ND1 3.09Å; T95-M127 HydrophobicContact CG2-CB 4.45Å; T95-M127 HydrophobicContact CG2-CG 3.81Å; T95-M127 WeakPolarHBondContact CG2-O 3.25Å; T95-M130 HydrophobicContact CG2-CB 3.82Å; T95-M130 HydrophobicContact CG2-CE 4.29Å; T95-M130 HydrophobicContact CG2-CG 3.7Å; T95-M130 HydrophobicContact CG2-SD 3.76Å; T95-A131 HydrophobicContact CG2-CB 4.1Å |
| 96 | V | 94.8 | Very high | 90.1 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | L92 V98 H99 F100 M127 | L92-V96 HydrophobicContact CD2-CG2 3.77Å; L92-V96 HydrophobicContact CG-CG2 4.42Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 3.01Å; V96-V98 PolarHBondContact O-N 2.91Å; V96-H99 PolarHBondContact O-N 2.82Å; V96-F100 VanDerWaalsContact O-CB 3.24Å; V96-F100 WeakPolarHBondContact O-CB 3.22Å; V96-F100 PolarHBondContact O-N 2.87Å; V96-M127 HydrophobicContact CG2-SD 3.99Å |
| 97 | T | 95.2 | Very high | 90.5 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -44.9 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | I19 D93 F94 T95 F100 F101 | I19-T97 HydrophobicContact CG2-CG2 4.09Å; D93-T97 WeakPolarHBondContact O-CB 3.47Å; D93-T97 PolarHBondContact O-N 2.76Å; D93-T97 PolarHBondContact O-OG1 2.86Å; F94-T97 PolarHBondContact O-N 3.4Å; T95-T97 VanDerWaalsContact C-N 3.34Å; T97-F100 PolarHBondContact O-N 2.89Å; T97-F101 HydrophobicContact CG2-CD2 3.84Å; T97-F101 HydrophobicContact CG2-CE2 3.53Å; T97-F101 WeakPolarHBondContact O-CD2 3.25Å; T97-F101 PolarHBondContact O-N 2.86Å; T97-F101 VanDerWaalsContact O-N 3.07Å |
| 98 | V | 94.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 178 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | M22 Q23 Y26 F94 T95 V96 F100 F101 H102 M130 | M22-V98 HydrophobicContact CB-CG2 3.86Å; Q23-V98 VanDerWaalsContact OE1-CA 3.24Å; Q23-V98 VanDerWaalsContact OE1-CG2 3.27Å; Y26-V98 HydrophobicContact CD1-CG1 4.4Å; Y26-V98 HydrophobicContact CD2-CG1 3.46Å; Y26-V98 VanDerWaalsContact CD2-CG1 3.46Å; Y26-V98 HydrophobicContact CE2-CG1 4.04Å; Y26-V98 HydrophobicContact CG-CG1 3.67Å; F94-V98 VanDerWaalsContact O-CG2 3.22Å; F94-V98 WeakPolarHBondContact O-CG2 3.43Å; F94-V98 PolarHBondContact O-N 2.84Å; T95-V98 PolarHBondContact O-N 2.99Å; V96-V98 PolarHBondContact O-N 2.91Å; V98-F100 VanDerWaalsContact C-N 3.33Å; V98-F100 PolarHBondContact O-N 2.84Å; V98-F101 PolarHBondContact O-N 3.5Å; V98-H102 PolarHBondContact O-N 3.4Å; V98-M130 HydrophobicContact CG2-CE 4.42Å |
| 99 | H | 93.8 | Very high | 91 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70 | -30.3 | -179.4 | -71.6 | 81.4 | 0 | 0 | 0 | 112.5 | T95 V96 H102 M103 M127 | T95-H99 PolarHBondContact O-N 3.13Å; T95-H99 PolarHBondContact O-ND1 3.09Å; V96-H99 PolarHBondContact O-N 2.82Å; H99-H102 PolarHBondContact O-N 3.37Å; H99-M103 WeakPolarHBondContact O-CB 3.39Å; H99-M103 PolarHBondContact O-N 3.07Å; H99-M127 HydrophobicContact CB-CE 3.63Å |
| 100 | F | 94.3 | Very high | 91 | Very high | 109 Ų | 109 | 50.2 Ų | 50.2 | 48% | 0.478 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 174.3 | 179.1 | -104.7 | 0 | 0 | 0 | 111.6 | V96 T97 V98 H102 M103 I104 | V96-F100 VanDerWaalsContact O-CB 3.24Å; V96-F100 WeakPolarHBondContact O-CB 3.22Å; V96-F100 PolarHBondContact O-N 2.87Å; T97-F100 PolarHBondContact O-N 2.89Å; V98-F100 VanDerWaalsContact C-N 3.33Å; V98-F100 PolarHBondContact O-N 2.84Å; F100-H102 VanDerWaalsContact C-N 3.32Å; F100-H102 PolarHBondContact O-N 3.5Å; F100-M103 HydrophobicContact CD2-CE 3.69Å; F100-M103 HydrophobicContact CE2-CE 3.68Å; F100-M103 WeakPolarHBondContact O-CB 3.37Å; F100-M103 PolarHBondContact O-N 3.32Å; F100-I104 HydrophobicContact CD1-CD1 3.78Å; F100-I104 HydrophobicContact CE1-CD1 3.32Å; F100-I104 HydrophobicContact CE1-CG1 4.36Å; F100-I104 HydrophobicContact CE2-CD1 4.46Å; F100-I104 HydrophobicContact CZ-CD1 3.71Å; F100-I104 HydrophobicContact CZ-CG1 4.41Å; F100-I104 WeakPolarHBondContact O-CG1 3.37Å; F100-I104 PolarHBondContact O-N 3.13Å |
| 101 | F | 93.6 | Very high | 90.8 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 40% | 0.395 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 173.2 | -79.8 | -64.2 | 0 | 0 | 0 | 112.6 | I19 Q23 T97 V98 I104 G105 | I19-F101 HydrophobicContact CG2-CE2 4.14Å; Q23-F101 HydrophobicContact CG-CD2 4.49Å; T97-F101 HydrophobicContact CG2-CD2 3.84Å; T97-F101 HydrophobicContact CG2-CE2 3.53Å; T97-F101 WeakPolarHBondContact O-CD2 3.25Å; T97-F101 PolarHBondContact O-N 2.86Å; T97-F101 VanDerWaalsContact O-N 3.07Å; V98-F101 PolarHBondContact O-N 3.5Å; F101-I104 PolarHBondContact O-N 2.89Å; F101-G105 PolarHBondContact O-N 3.03Å |
| 102 | H | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 173.8 | -177.1 | 60.7 | 0 | 0 | 0 | 111.6 | Y26 Y27 I50 F70 V98 H99 F100 I104 G105 C106 N123 | Y26-H102 HydrophobicContact CE1-CB 4.3Å; Y26-H102 AromaticContact CE1-ND1 3.94Å; Y27-H102 AromaticContact CE1-ND1 4Å; Y27-H102 WeakPolarHBondContact OH-CA 3.33Å; I50-H102 PolarHBondContact O-CE1 2.6Å; F70-H102 AromaticContact CE1-NE2 3.65Å; F70-H102 AromaticContact CZ-NE2 3.9Å; V98-H102 PolarHBondContact O-N 3.4Å; H99-H102 PolarHBondContact O-N 3.37Å; F100-H102 VanDerWaalsContact C-N 3.32Å; F100-H102 PolarHBondContact O-N 3.5Å; H102-I104 VanDerWaalsContact C-N 3.34Å; H102-I104 PolarHBondContact O-N 3.02Å; H102-G105 PolarHBondContact O-N 3.24Å; H102-G105 VanDerWaalsContact O-N 3.12Å; H102-C106 VanDerWaalsContact CE1-SG 3.58Å; H102-C106 PolarHBondContact O-N 3.21Å; H102-C106 PolarHBondContact O-SG 3.46Å; H102-N123 PolarHBondContact CD2-OD1 2.9Å |
| 103 | M | 90.7 | Very high | 89.6 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 17% | 0.172 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 173.5 | -177.3 | -167.5 | 72.8 | 0 | 0 | 112 | H99 F100 G105 C106 W107 W119 W120 | H99-M103 WeakPolarHBondContact O-CB 3.39Å; H99-M103 PolarHBondContact O-N 3.07Å; F100-M103 HydrophobicContact CD2-CE 3.69Å; F100-M103 HydrophobicContact CE2-CE 3.68Å; F100-M103 WeakPolarHBondContact O-CB 3.37Å; F100-M103 PolarHBondContact O-N 3.32Å; M103-G105 VanDerWaalsContact C-N 3.34Å; M103-G105 PolarHBondContact O-N 3.27Å; M103-C106 PolarHBondContact O-N 3.24Å; M103-W107 WeakPolarHBondContact O-CB 3.39Å; M103-W107 PolarHBondContact O-N 3.38Å; M103-W119 HydrophobicContact CB-CH2 3.89Å; M103-W119 HydrophobicContact CG-CH2 3.88Å; M103-W119 HydrophobicContact CG-CZ3 4.47Å; M103-W120 HydrophobicContact SD-CH2 3.86Å |
| 104 | I | 90.5 | Very high | 88.8 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.2 | -69.6 | 168 | 0 | 0 | 0 | 110.7 | F100 F101 H102 C106 W107 I108 | F100-I104 HydrophobicContact CD1-CD1 3.78Å; F100-I104 HydrophobicContact CE1-CD1 3.32Å; F100-I104 HydrophobicContact CE1-CG1 4.36Å; F100-I104 HydrophobicContact CE2-CD1 4.46Å; F100-I104 HydrophobicContact CZ-CD1 3.71Å; F100-I104 HydrophobicContact CZ-CG1 4.41Å; F100-I104 WeakPolarHBondContact O-CG1 3.37Å; F100-I104 PolarHBondContact O-N 3.13Å; F101-I104 PolarHBondContact O-N 2.89Å; H102-I104 VanDerWaalsContact C-N 3.34Å; H102-I104 PolarHBondContact O-N 3.02Å; I104-C106 PolarHBondContact O-N 3.12Å; I104-W107 PolarHBondContact O-N 3.22Å; I104-I108 HydrophobicContact CG2-CD1 3.68Å; I104-I108 HydrophobicContact CG2-CG1 4.32Å; I104-I108 WeakPolarHBondContact O-CG1 3.24Å; I104-I108 PolarHBondContact O-N 3.34Å |
| 105 | G | 86.7 | Confident | 88 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 19% | 0.186 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F101 H102 M103 W107 I108 Y109 | F101-G105 PolarHBondContact O-N 3.03Å; H102-G105 PolarHBondContact O-N 3.24Å; H102-G105 VanDerWaalsContact O-N 3.12Å; M103-G105 VanDerWaalsContact C-N 3.34Å; M103-G105 PolarHBondContact O-N 3.27Å; G105-W107 VanDerWaalsContact C-N 3.34Å; G105-W107 PolarHBondContact O-N 2.62Å; G105-I108 PolarHBondContact O-N 3.2Å; G105-Y109 WeakPolarHBondContact O-CB 3.28Å; G105-Y109 PolarHBondContact O-N 3.34Å |
| 106 | C | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.6 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | H102 M103 I104 Y109 N110 W119 | H102-C106 VanDerWaalsContact CE1-SG 3.58Å; H102-C106 PolarHBondContact O-N 3.21Å; H102-C106 PolarHBondContact O-SG 3.46Å; M103-C106 PolarHBondContact O-N 3.24Å; I104-C106 PolarHBondContact O-N 3.12Å; C106-Y109 PolarHBondContact O-N 3.44Å; C106-N110 PolarHBondContact O-N 2.9Å; C106-N110 VanDerWaalsContact O-N 3.08Å; C106-N110 PolarHBondContact O-ND2 3.45Å; C106-W119 HydrophobicContact CB-CZ2 4.21Å |
| 107 | W | 88.1 | Confident | 87 | Confident | 129 Ų | 129 | 61.8 Ų | 61.8 | 49% | 0.489 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 177 | -175.1 | 6.9 | 0 | 0 | 0 | 111.5 | M103 I104 G105 Y109 A111 F113 | M103-W107 WeakPolarHBondContact O-CB 3.39Å; M103-W107 PolarHBondContact O-N 3.38Å; I104-W107 PolarHBondContact O-N 3.22Å; G105-W107 VanDerWaalsContact C-N 3.34Å; G105-W107 PolarHBondContact O-N 2.62Å; W107-Y109 VanDerWaalsContact C-N 3.32Å; W107-Y109 PolarHBondContact O-N 3.41Å; W107-A111 WeakPolarHBondContact O-CA 3.35Å; W107-A111 PolarHBondContact O-N 3.36Å; W107-F113 HydrophobicContact CD2-CD2 4.41Å |
| 108 | I | 87.6 | Confident | 86.5 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 68% | 0.677 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 177.9 | -66.1 | 168.8 | 0 | 0 | 0 | 110.8 | I104 G105 | I104-I108 HydrophobicContact CG2-CD1 3.68Å; I104-I108 HydrophobicContact CG2-CG1 4.32Å; I104-I108 WeakPolarHBondContact O-CG1 3.24Å; I104-I108 PolarHBondContact O-N 3.34Å; G105-I108 PolarHBondContact O-N 3.2Å |
| 109 | Y | 86.4 | Confident | 86.3 | Confident | 101 Ų | 101 | 61 Ų | 61 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | -177.7 | -172.7 | -96.8 | 0 | 0 | 0 | 113.1 | D48 F51 G105 C106 W107 | D48-Y109 WeakPolarHBondContact OD1-CE1 3.39Å; D48-Y109 PolarHBondContact OD1-OH 2.84Å; F51-Y109 HydrophobicContact CB-CD1 3.55Å; F51-Y109 HydrophobicContact CB-CD2 4.05Å; F51-Y109 HydrophobicContact CB-CE1 4.12Å; F51-Y109 HydrophobicContact CB-CG 3.51Å; F51-Y109 HydrophobicContact CD2-CD2 4.41Å; F51-Y109 HydrophobicContact CG-CD2 4.37Å; F51-Y109 HydrophobicContact CG-CG 4.21Å; G105-Y109 WeakPolarHBondContact O-CB 3.28Å; G105-Y109 PolarHBondContact O-N 3.34Å; C106-Y109 PolarHBondContact O-N 3.44Å; W107-Y109 VanDerWaalsContact C-N 3.32Å; W107-Y109 PolarHBondContact O-N 3.41Å |
| 110 | N | 83.6 | Confident | 86.1 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 15% | 0.15 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -90.2 | -4.5 | -176.5 | -61.8 | -87.6 | 0 | 0 | 0 | 113.1 | F51 Y53 C106 H112 | F51-N110 PolarHBondContact O-ND2 2.93Å; Y53-N110 HydrophobicContact CD1-CB 3.94Å; Y53-N110 HydrophobicContact CE1-CB 3.32Å; Y53-N110 VanDerWaalsContact CE1-CG 3.43Å; C106-N110 PolarHBondContact O-N 2.9Å; C106-N110 VanDerWaalsContact O-N 3.08Å; C106-N110 PolarHBondContact O-ND2 3.45Å; N110-H112 PolarHBondContact O-N 3.47Å; N110-H112 PolarHBondContact O-ND1 3.27Å |
| 111 | A | 82.6 | Confident | 85.9 | Confident | 78 Ų | 78 | 64 Ų | 64 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 55 | -0.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | W107 | W107-A111 WeakPolarHBondContact O-CA 3.35Å; W107-A111 PolarHBondContact O-N 3.36Å |
| 112 | H | 81 | Confident | 85.8 | Confident | 125 Ų | 125 | 60.3 Ų | 60.3 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -125.3 | 149.8 | -178.4 | -65.1 | 84.6 | 0 | 0 | 0 | 109.2 | N110 | N110-H112 PolarHBondContact O-N 3.47Å; N110-H112 PolarHBondContact O-ND1 3.27Å |
| 113 | F | 75.8 | Confident | 85.9 | Confident | 110 Ų | 110 | 60.6 Ų | 60.6 | 48% | 0.482 | 32% | 0.321 | S | S | . | . | trans | -66.8 | 134 | 175.9 | -170.6 | -98.7 | 0 | 0 | 0 | 109.8 | W107 A115 W120 | W107-F113 HydrophobicContact CD2-CD2 4.41Å; F113-A115 PolarHBondContact O-N 3.37Å; F113-W120 AromaticContact CE1-CZ2 3.75Å; F113-W120 HydrophobicContact CE1-CZ2 3.75Å; F113-W120 HydrophobicContact CZ-CH2 4.13Å; F113-W120 AromaticContact CZ-CZ2 3.65Å; F113-W120 HydrophobicContact CZ-CZ2 3.65Å | ||
| 114 | P | 76.4 | Confident | 86 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -63.1 | 101.3 | -179.1 | 23.5 | -31.9 | 0 | 0 | 0 | 110.3 | Y53 W119 W120 | Y53-P114 HydrophobicContact CD1-CB 4Å; Y53-P114 HydrophobicContact CG-CB 4.26Å; P114-W119 HydrophobicContact CB-CD2 4.21Å; P114-W119 HydrophobicContact CB-CE3 3.95Å; P114-W119 HydrophobicContact CB-CZ3 4.24Å; P114-W119 HydrophobicContact CG-CE3 4.25Å; P114-W119 HydrophobicContact CG-CH2 4.35Å; P114-W119 HydrophobicContact CG-CZ3 4.02Å; P114-W120 HydrophobicContact CG-CZ2 4.24Å; P114-W120 PolarHBondContact O-NE1 3.31Å | ||
| 115 | A | 77.3 | Confident | 86.3 | Confident | 87 Ų | 87 | 62.6 Ų | 62.6 | 72% | 0.719 | 34% | 0.342 | S | S | * | . | trans | -91.8 | -10.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F113 L117 | F113-A115 PolarHBondContact O-N 3.37Å; A115-L117 PolarHBondContact O-N 2.87Å | ||
| 116 | A | 84 | Confident | 86.6 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | trans | -70.3 | 115.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y53 S118 W119 W120 | Y53-A116 HydrophobicContact CD2-CB 4Å; A116-S118 VanDerWaalsContact C-N 3.28Å; A116-S118 PolarHBondContact O-N 2.97Å; A116-W119 HydrophobicContact CB-CB 4.19Å; A116-W119 WeakPolarHBondContact O-CB 3.43Å; A116-W119 PolarHBondContact O-N 3.44Å; A116-W120 VanDerWaalsContact O-CD1 3.29Å; A116-W120 PolarHBondContact O-N 3.2Å | ||
| 117 | L | 84.3 | Confident | 87 | Confident | 125 Ų | 125 | 64.4 Ų | 64.4 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.3 | -36.4 | -179.8 | -175.7 | 66 | 0 | 0 | 0 | 112.6 | A115 W119 W120 L121 | A115-L117 PolarHBondContact O-N 2.87Å; L117-W119 VanDerWaalsContact C-N 3.3Å; L117-W119 PolarHBondContact O-N 2.93Å; L117-W120 PolarHBondContact O-N 3.17Å; L117-L121 HydrophobicContact CG-CD1 4.2Å; L117-L121 HydrophobicContact CG-CG 4.34Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 3.38Å |
| 118 | S | 85.4 | Confident | 87.4 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 177.3 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | L56 A116 W120 L121 V122 | L56-S118 WeakPolarHBondContact O-CB 3.28Å; L56-S118 PolarHBondContact O-OG 2.86Å; A116-S118 VanDerWaalsContact C-N 3.28Å; A116-S118 PolarHBondContact O-N 2.97Å; S118-W120 PolarHBondContact O-N 3.41Å; S118-L121 PolarHBondContact O-N 3.35Å; S118-V122 VanDerWaalsContact O-CG2 3.24Å; S118-V122 WeakPolarHBondContact O-CG2 3.31Å; S118-V122 PolarHBondContact O-N 2.98Å |
| 119 | W | 89.5 | Confident | 87.8 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.1 | -176.7 | 91.6 | 0 | 0 | 0 | 111.3 | M103 C106 P114 A116 L117 V122 N123 | M103-W119 HydrophobicContact CB-CH2 3.89Å; M103-W119 HydrophobicContact CG-CH2 3.88Å; M103-W119 HydrophobicContact CG-CZ3 4.47Å; C106-W119 HydrophobicContact CB-CZ2 4.21Å; P114-W119 HydrophobicContact CB-CD2 4.21Å; P114-W119 HydrophobicContact CB-CE3 3.95Å; P114-W119 HydrophobicContact CB-CZ3 4.24Å; P114-W119 HydrophobicContact CG-CE3 4.25Å; P114-W119 HydrophobicContact CG-CH2 4.35Å; P114-W119 HydrophobicContact CG-CZ3 4.02Å; A116-W119 HydrophobicContact CB-CB 4.19Å; A116-W119 WeakPolarHBondContact O-CB 3.43Å; A116-W119 PolarHBondContact O-N 3.44Å; L117-W119 VanDerWaalsContact C-N 3.3Å; L117-W119 PolarHBondContact O-N 2.93Å; W119-V122 PolarHBondContact O-N 3.41Å; W119-N123 VanDerWaalsContact CD2-ND2 3.35Å; W119-N123 WeakPolarHBondContact CZ2-ND2 3.24Å; W119-N123 PolarHBondContact NE1-ND2 3.26Å; W119-N123 WeakPolarHBondContact O-CB 3.16Å; W119-N123 PolarHBondContact O-N 3.01Å; W119-N123 PolarHBondContact O-ND2 2.78Å |
| 120 | W | 90 | Very high | 88.3 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 176.2 | -74.9 | 101.4 | 0 | 0 | 0 | 112.2 | M103 F113 P114 A116 L117 S118 V122 N123 V124 | M103-W120 HydrophobicContact SD-CH2 3.86Å; F113-W120 AromaticContact CE1-CZ2 3.75Å; F113-W120 HydrophobicContact CE1-CZ2 3.75Å; F113-W120 HydrophobicContact CZ-CH2 4.13Å; F113-W120 AromaticContact CZ-CZ2 3.65Å; F113-W120 HydrophobicContact CZ-CZ2 3.65Å; P114-W120 HydrophobicContact CG-CZ2 4.24Å; P114-W120 PolarHBondContact O-NE1 3.31Å; A116-W120 VanDerWaalsContact O-CD1 3.29Å; A116-W120 PolarHBondContact O-N 3.2Å; L117-W120 PolarHBondContact O-N 3.17Å; S118-W120 PolarHBondContact O-N 3.41Å; W120-V122 VanDerWaalsContact C-N 3.33Å; W120-V122 PolarHBondContact O-N 3.46Å; W120-N123 PolarHBondContact O-N 3.38Å; W120-V124 WeakPolarHBondContact O-CB 3.35Å; W120-V124 VanDerWaalsContact O-CG2 3.25Å; W120-V124 WeakPolarHBondContact O-CG2 3.5Å; W120-V124 PolarHBondContact O-N 3.21Å |
| 121 | L | 91.2 | Very high | 88.8 | Confident | 97 Ų | 97 | 52 Ų | 52 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 179.4 | -70.2 | 174.6 | 0 | 0 | 0 | 111.6 | L117 S118 A125 | L117-L121 HydrophobicContact CG-CD1 4.2Å; L117-L121 HydrophobicContact CG-CG 4.34Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 3.38Å; S118-L121 PolarHBondContact O-N 3.35Å; L121-A125 WeakPolarHBondContact O-CB 3.42Å; L121-A125 PolarHBondContact O-N 3.37Å |
| 122 | V | 91.6 | Very high | 89.5 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 179.4 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | L56 M67 F70 S118 W119 W120 A125 C126 | L56-V122 HydrophobicContact CD2-CB 3.89Å; L56-V122 HydrophobicContact CD2-CG1 3.73Å; L56-V122 HydrophobicContact CD2-CG2 4.17Å; M67-V122 HydrophobicContact CG-CG1 4.29Å; M67-V122 HydrophobicContact CG-CG2 3.64Å; M67-V122 HydrophobicContact SD-CG2 3.47Å; M67-V122 WeakPolarHBondContact SD-CG2 3.28Å; F70-V122 HydrophobicContact CB-CG1 4.19Å; S118-V122 VanDerWaalsContact O-CG2 3.24Å; S118-V122 WeakPolarHBondContact O-CG2 3.31Å; S118-V122 PolarHBondContact O-N 2.98Å; W119-V122 PolarHBondContact O-N 3.41Å; W120-V122 VanDerWaalsContact C-N 3.33Å; W120-V122 PolarHBondContact O-N 3.46Å; V122-A125 PolarHBondContact O-N 3.49Å; V122-C126 WeakPolarHBondContact O-CB 3.33Å; V122-C126 PolarHBondContact O-N 3.26Å; V122-C126 PolarHBondContact O-SG 3.42Å |
| 123 | N | 92.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.032 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | -179.7 | -82.3 | -84.2 | 0 | 0 | 0 | 112.4 | H102 W119 W120 C126 M127 | H102-N123 PolarHBondContact CD2-OD1 2.9Å; W119-N123 VanDerWaalsContact CD2-ND2 3.35Å; W119-N123 WeakPolarHBondContact CZ2-ND2 3.24Å; W119-N123 PolarHBondContact NE1-ND2 3.26Å; W119-N123 WeakPolarHBondContact O-CB 3.16Å; W119-N123 PolarHBondContact O-N 3.01Å; W119-N123 PolarHBondContact O-ND2 2.78Å; W120-N123 PolarHBondContact O-N 3.38Å; N123-C126 PolarHBondContact O-N 2.94Å; N123-M127 WeakPolarHBondContact O-CB 3.24Å; N123-M127 PolarHBondContact O-N 3.5Å |
| 124 | V | 94.3 | Very high | 91 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.7 | W120 M127 A128 | W120-V124 WeakPolarHBondContact O-CB 3.35Å; W120-V124 VanDerWaalsContact O-CG2 3.25Å; W120-V124 WeakPolarHBondContact O-CG2 3.5Å; W120-V124 PolarHBondContact O-N 3.21Å; V124-M127 PolarHBondContact O-N 2.86Å; V124-A128 WeakPolarHBondContact O-CB 3.28Å; V124-A128 PolarHBondContact O-N 2.94Å |
| 125 | A | 95 | Very high | 91.9 | Very high | 46 Ų | 46 | 48.4 Ų | 48.4 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L121 V122 A128 L129 | L121-A125 WeakPolarHBondContact O-CB 3.42Å; L121-A125 PolarHBondContact O-N 3.37Å; V122-A125 PolarHBondContact O-N 3.49Å; A125-A128 PolarHBondContact O-N 2.92Å; A125-L129 WeakPolarHBondContact O-CB 3.09Å; A125-L129 VanDerWaalsContact O-CG 3.28Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 3.28Å |
| 126 | C | 95 | Very high | 92.6 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | V122 N123 L129 M130 | V122-C126 WeakPolarHBondContact O-CB 3.33Å; V122-C126 PolarHBondContact O-N 3.26Å; V122-C126 PolarHBondContact O-SG 3.42Å; N123-C126 PolarHBondContact O-N 2.94Å; C126-L129 PolarHBondContact O-N 2.91Å; C126-M130 VanDerWaalsContact O-CB 3.23Å; C126-M130 WeakPolarHBondContact O-CB 3.37Å; C126-M130 PolarHBondContact O-N 2.99Å |
| 127 | M | 95.6 | Very high | 93 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 175.2 | -172.9 | -165.5 | -68.5 | 0 | 0 | 111 | T95 V96 H99 N123 V124 M130 A131 | T95-M127 HydrophobicContact CG2-CB 4.45Å; T95-M127 HydrophobicContact CG2-CG 3.81Å; T95-M127 WeakPolarHBondContact CG2-O 3.25Å; V96-M127 HydrophobicContact CG2-SD 3.99Å; H99-M127 HydrophobicContact CB-CE 3.63Å; N123-M127 WeakPolarHBondContact O-CB 3.24Å; N123-M127 PolarHBondContact O-N 3.5Å; V124-M127 PolarHBondContact O-N 2.86Å; M127-M130 PolarHBondContact O-N 3.27Å; M127-A131 VanDerWaalsContact O-CB 3.24Å; M127-A131 WeakPolarHBondContact O-CB 3.38Å; M127-A131 PolarHBondContact O-N 2.98Å |
| 128 | A | 96.3 | Very high | 93.4 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V124 A125 A131 V132 | V124-A128 WeakPolarHBondContact O-CB 3.28Å; V124-A128 PolarHBondContact O-N 2.94Å; A125-A128 PolarHBondContact O-N 2.92Å; A128-A131 PolarHBondContact O-N 3.32Å; A128-V132 WeakPolarHBondContact O-CB 3.2Å; A128-V132 VanDerWaalsContact O-CG2 3.25Å; A128-V132 WeakPolarHBondContact O-CG2 3.48Å; A128-V132 PolarHBondContact O-N 3.05Å |
| 129 | L | 96.2 | Very high | 93.6 | Very high | 67 Ų | 67 | 48 Ų | 48 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -50 | 177.3 | -76.2 | 170.8 | 0 | 0 | 0 | 111.6 | I71 A125 C126 A131 I133 | I71-L129 HydrophobicContact CG2-CD1 4.27Å; A125-L129 WeakPolarHBondContact O-CB 3.09Å; A125-L129 VanDerWaalsContact O-CG 3.28Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 3.28Å; C126-L129 PolarHBondContact O-N 2.91Å; L129-A131 PolarHBondContact O-N 3.5Å; L129-I133 HydrophobicContact CD2-CD1 4.44Å; L129-I133 VanDerWaalsContact O-CB 3.28Å; L129-I133 WeakPolarHBondContact O-CB 3.47Å; L129-I133 VanDerWaalsContact O-CG1 3.24Å; L129-I133 WeakPolarHBondContact O-CG1 3.35Å; L129-I133 PolarHBondContact O-N 3.35Å |
| 130 | M | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 179.1 | 176.7 | 175.7 | 167.9 | 0 | 0 | 111.7 | M22 C77 L81 T95 V98 C126 M127 G134 | M22-M130 HydrophobicContact CE-CE 3.48Å; M22-M130 VanDerWaalsContact CE-CE 3.48Å; C77-M130 HydrophobicContact CB-CE 3.65Å; C77-M130 HydrophobicContact CB-CG 4.15Å; C77-M130 HydrophobicContact CB-SD 3.45Å; C77-M130 WeakPolarHBondContact CB-SD 3.32Å; L81-M130 HydrophobicContact CD1-CE 3.64Å; L81-M130 HydrophobicContact CD1-CG 3.76Å; L81-M130 HydrophobicContact CD2-CE 3.93Å; L81-M130 HydrophobicContact CG-CE 3.75Å; T95-M130 HydrophobicContact CG2-CB 3.82Å; T95-M130 HydrophobicContact CG2-CE 4.29Å; T95-M130 HydrophobicContact CG2-CG 3.7Å; T95-M130 HydrophobicContact CG2-SD 3.76Å; V98-M130 HydrophobicContact CG2-CE 4.42Å; C126-M130 VanDerWaalsContact O-CB 3.23Å; C126-M130 WeakPolarHBondContact O-CB 3.37Å; C126-M130 PolarHBondContact O-N 2.99Å; M127-M130 PolarHBondContact O-N 3.27Å; M130-G134 WeakPolarHBondContact O-CA 3.48Å; M130-G134 PolarHBondContact O-N 3.46Å |
| 131 | A | 95.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -51.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T95 M127 A128 L129 G134 E135 | T95-A131 HydrophobicContact CG2-CB 4.1Å; M127-A131 VanDerWaalsContact O-CB 3.24Å; M127-A131 WeakPolarHBondContact O-CB 3.38Å; M127-A131 PolarHBondContact O-N 2.98Å; A128-A131 PolarHBondContact O-N 3.32Å; L129-A131 PolarHBondContact O-N 3.5Å; A131-G134 PolarHBondContact O-N 2.9Å; A131-E135 WeakPolarHBondContact O-CB 3.49Å; A131-E135 PolarHBondContact O-N 2.71Å |
| 132 | V | 95.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 58% | 0.576 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.7 | -45.9 | -176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | A128 Y136 | A128-V132 WeakPolarHBondContact O-CB 3.2Å; A128-V132 VanDerWaalsContact O-CG2 3.25Å; A128-V132 WeakPolarHBondContact O-CG2 3.48Å; A128-V132 PolarHBondContact O-N 3.05Å; V132-Y136 WeakPolarHBondContact O-CB 3.36Å; V132-Y136 PolarHBondContact O-N 3.31Å |
| 133 | I | 95.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 28% | 0.277 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.5 | -44.1 | -179.5 | -63.7 | 170.6 | 0 | 0 | 0 | 110.2 | L75 A78 L129 Y136 L137 | L75-I133 HydrophobicContact CD2-CD1 3.33Å; A78-I133 HydrophobicContact CB-CB 3.95Å; A78-I133 HydrophobicContact CB-CG2 3.78Å; L129-I133 HydrophobicContact CD2-CD1 4.44Å; L129-I133 VanDerWaalsContact O-CB 3.28Å; L129-I133 WeakPolarHBondContact O-CB 3.47Å; L129-I133 VanDerWaalsContact O-CG1 3.24Å; L129-I133 WeakPolarHBondContact O-CG1 3.35Å; L129-I133 PolarHBondContact O-N 3.35Å; I133-Y136 PolarHBondContact O-N 3.38Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 HydrophobicContact CG2-CG 4.32Å; I133-L137 WeakPolarHBondContact O-CB 3.29Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.37Å; I133-L137 PolarHBondContact O-N 3.15Å |
| 134 | G | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M130 A131 L137 C138 | M130-G134 WeakPolarHBondContact O-CA 3.48Å; M130-G134 PolarHBondContact O-N 3.46Å; A131-G134 PolarHBondContact O-N 2.9Å; G134-L137 PolarHBondContact O-N 3.42Å; G134-C138 WeakPolarHBondContact O-CB 3.36Å; G134-C138 PolarHBondContact O-N 2.89Å; G134-C138 PolarHBondContact O-SG 3.28Å |
| 135 | E | 94.4 | Very high | 90.6 | Very high | 87 Ų | 87 | 63.8 Ų | 63.8 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 176.4 | -177.4 | 176.4 | -166.3 | 0 | 0 | 111.4 | C91 A131 L137 C138 M139 | C91-E135 HydrophobicContact CB-CB 4.34Å; A131-E135 WeakPolarHBondContact O-CB 3.49Å; A131-E135 PolarHBondContact O-N 2.71Å; E135-L137 PolarHBondContact O-N 3.02Å; E135-C138 PolarHBondContact O-N 2.92Å; E135-M139 VanDerWaalsContact O-CB 3.3Å; E135-M139 WeakPolarHBondContact O-CB 3.46Å; E135-M139 PolarHBondContact O-N 2.82Å |
| 136 | Y | 92.9 | Very high | 89.1 | Confident | 122 Ų | 122 | 66.9 Ų | 66.9 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 178.7 | 174.7 | -99.3 | 0 | 0 | 0 | 112.1 | V132 I133 R140 | V132-Y136 WeakPolarHBondContact O-CB 3.36Å; V132-Y136 PolarHBondContact O-N 3.31Å; I133-Y136 PolarHBondContact O-N 3.38Å; Y136-R140 WeakPolarHBondContact O-CB 3.17Å; Y136-R140 PolarHBondContact O-N 2.8Å |
| 137 | L | 92.1 | Very high | 87.4 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 179.4 | -69.3 | 175 | 0 | 0 | 0 | 112.1 | L79 W82 I133 G134 E135 T141 | L79-L137 HydrophobicContact CD2-CD1 3.95Å; W82-L137 HydrophobicContact CB-CB 3.94Å; W82-L137 HydrophobicContact CB-CD1 4.22Å; W82-L137 HydrophobicContact CD2-CB 4.38Å; W82-L137 HydrophobicContact CG-CB 3.72Å; W82-L137 HydrophobicContact CG-CD1 4.36Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 HydrophobicContact CG2-CG 4.32Å; I133-L137 WeakPolarHBondContact O-CB 3.29Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.37Å; I133-L137 PolarHBondContact O-N 3.15Å; G134-L137 PolarHBondContact O-N 3.42Å; E135-L137 PolarHBondContact O-N 3.02Å; L137-T141 PolarHBondContact O-N 3.44Å; L137-T141 VanDerWaalsContact O-N 3.12Å; L137-T141 PolarHBondContact O-OG1 2.99Å |
| 138 | C | 91.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 175.2 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | C91 G134 E135 R140 T141 E142 | C91-C138 PolarHBondContact SG-SG 3.24Å; G134-C138 WeakPolarHBondContact O-CB 3.36Å; G134-C138 PolarHBondContact O-N 2.89Å; G134-C138 PolarHBondContact O-SG 3.28Å; E135-C138 PolarHBondContact O-N 2.92Å; C138-R140 VanDerWaalsContact C-N 3.34Å; C138-R140 PolarHBondContact O-N 3.25Å; C138-T141 PolarHBondContact O-N 3.31Å; C138-T141 VanDerWaalsContact O-N 3.17Å; C138-T141 PolarHBondContact O-OG1 2.65Å; C138-E142 WeakPolarHBondContact O-CB 3.3Å; C138-E142 PolarHBondContact O-N 3.41Å |
| 139 | M | 90.3 | Very high | 83.9 | Confident | 92 Ų | 92 | 80.1 Ų | 80.1 | 45% | 0.453 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 179.9 | -173.8 | -179.5 | 72.9 | 0 | 0 | 111.3 | E135 T141 E142 L143 | E135-M139 VanDerWaalsContact O-CB 3.3Å; E135-M139 WeakPolarHBondContact O-CB 3.46Å; E135-M139 PolarHBondContact O-N 2.82Å; M139-T141 VanDerWaalsContact C-N 3.27Å; M139-T141 PolarHBondContact O-N 3.22Å; M139-E142 PolarHBondContact O-N 3.49Å; M139-L143 HydrophobicContact CG-CD1 4.01Å; M139-L143 HydrophobicContact CG-CG 4.4Å; M139-L143 WeakPolarHBondContact O-CB 3.2Å; M139-L143 VanDerWaalsContact O-CG 3.27Å; M139-L143 WeakPolarHBondContact O-CG 3.42Å; M139-L143 PolarHBondContact O-N 3.19Å |
| 140 | R | 88.5 | Confident | 82.2 | Confident | 120 Ų | 120 | 81.8 Ų | 81.8 | 45% | 0.453 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 178.1 | -169.2 | 177.2 | -172 | -167.8 | 3.2 | 112.4 | Y136 C138 R144 | Y136-R140 WeakPolarHBondContact O-CB 3.17Å; Y136-R140 PolarHBondContact O-N 2.8Å; C138-R140 VanDerWaalsContact C-N 3.34Å; C138-R140 PolarHBondContact O-N 3.25Å; R140-R144 VanDerWaalsContact O-CG 3.3Å; R140-R144 WeakPolarHBondContact O-CG 3.39Å; R140-R144 PolarHBondContact O-N 3.5Å |
| 141 | T | 86.1 | Confident | 80.5 | Confident | 44 Ų | 44 | 84 Ų | 84 | 27% | 0.27 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -78.9 | -36.7 | 177.5 | 44.1 | 0 | 0 | 0 | 0 | 112.9 | W82 L137 C138 M139 R144 A145 | W82-T141 HydrophobicContact CZ2-CG2 4.01Å; W82-T141 PolarHBondContact NE1-OG1 3.15Å; L137-T141 PolarHBondContact O-N 3.44Å; L137-T141 VanDerWaalsContact O-N 3.12Å; L137-T141 PolarHBondContact O-OG1 2.99Å; C138-T141 PolarHBondContact O-N 3.31Å; C138-T141 VanDerWaalsContact O-N 3.17Å; C138-T141 PolarHBondContact O-OG1 2.65Å; M139-T141 VanDerWaalsContact C-N 3.27Å; M139-T141 PolarHBondContact O-N 3.22Å; T141-R144 PolarHBondContact O-N 3.21Å; T141-A145 PolarHBondContact O-N 3.21Å |
| 142 | E | 85.9 | Confident | 78.7 | Confident | 94 Ų | 94 | 89.4 Ų | 89.4 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 172.5 | -171.2 | 175.5 | 176.8 | 0 | 0 | 111.4 | C138 M139 R144 A145 | C138-E142 WeakPolarHBondContact O-CB 3.3Å; C138-E142 PolarHBondContact O-N 3.41Å; M139-E142 PolarHBondContact O-N 3.49Å; E142-R144 VanDerWaalsContact C-N 3.35Å; E142-R144 PolarHBondContact O-N 2.86Å; E142-A145 PolarHBondContact O-N 3.41Å |
| 143 | L | 82.1 | Confident | 76.8 | Confident | 109 Ų | 109 | 93.7 Ų | 93.7 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66 | -32.4 | 178.9 | -70.5 | 171.7 | 0 | 0 | 0 | 113.5 | M139 A145 I146 | M139-L143 HydrophobicContact CG-CD1 4.01Å; M139-L143 HydrophobicContact CG-CG 4.4Å; M139-L143 WeakPolarHBondContact O-CB 3.2Å; M139-L143 VanDerWaalsContact O-CG 3.27Å; M139-L143 WeakPolarHBondContact O-CG 3.42Å; M139-L143 PolarHBondContact O-N 3.19Å; L143-A145 VanDerWaalsContact C-N 3.29Å; L143-A145 PolarHBondContact O-N 3.26Å; L143-I146 PolarHBondContact O-N 3.14Å |
| 144 | R | 76.9 | Confident | 74.9 | Confident | 170 Ų | 170 | 96.1 Ų | 96.1 | 64% | 0.642 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.1 | -23 | 178.3 | -79 | 174.7 | 175.6 | -174.2 | -2.1 | 113.5 | R140 T141 E142 I146 | R140-R144 VanDerWaalsContact O-CG 3.3Å; R140-R144 WeakPolarHBondContact O-CG 3.39Å; R140-R144 PolarHBondContact O-N 3.5Å; T141-R144 PolarHBondContact O-N 3.21Å; E142-R144 VanDerWaalsContact C-N 3.35Å; E142-R144 PolarHBondContact O-N 2.86Å; R144-I146 PolarHBondContact O-N 3.39Å |
| 145 | A | 67.3 | Low | 73.2 | Confident | 80 Ų | 80 | 103.3 Ų | 103.3 | 66% | 0.661 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -9.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T141 E142 L143 P147 | T141-A145 PolarHBondContact O-N 3.21Å; E142-A145 PolarHBondContact O-N 3.41Å; L143-A145 VanDerWaalsContact C-N 3.29Å; L143-A145 PolarHBondContact O-N 3.26Å; A145-P147 WeakPolarHBondContact O-CD 3.35Å |
| 146 | I | 63.5 | Low | 71.3 | Confident | 111 Ų | 111 | 110.4 Ų | 110.4 | 57% | 0.569 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -93.1 | 104.5 | 176.2 | -52.7 | 173.1 | 0 | 0 | 0 | 108.1 | L143 R144 V148 | L143-I146 PolarHBondContact O-N 3.14Å; R144-I146 PolarHBondContact O-N 3.39Å; I146-V148 PolarHBondContact O-N 3.48Å; I146-V148 VanDerWaalsContact O-N 3.09Å |
| 147 | P | 58.3 | Low | 70.2 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | trans | -66.6 | 113.4 | 170.1 | 26.8 | -31.2 | 0 | 0 | 0 | 108.1 | A145 N149 | A145-P147 WeakPolarHBondContact O-CD 3.35Å; P147-N149 PolarHBondContact O-N 3.25Å | ||
| 148 | V | 61.1 | Low | 69.1 | Low | 128 Ų | 128 | 113.5 Ų | 113.5 | 78% | 0.776 | 63% | 0.628 | S | S | * | * | trans | -71.3 | 78.3 | 164.3 | -172.4 | 0 | 0 | 0 | 0 | 106.4 | I146 S150 | I146-V148 PolarHBondContact O-N 3.48Å; I146-V148 VanDerWaalsContact O-N 3.09Å; V148-S150 PolarHBondContact O-N 3.33Å | ||
| 149 | N | 57.1 | Low | 67.9 | Low | 145 Ų | 145 | 119.8 Ų | 119.8 | 78% | 0.775 | 66% | 0.663 | S | S | * | * | trans | -65.3 | 95.4 | 168.3 | -167.4 | 29.9 | 0 | 0 | 0 | 106 | P147 G151 | P147-N149 PolarHBondContact O-N 3.25Å; N149-G151 PolarHBondContact O-N 3.07Å | ||
| 150 | S | 61.5 | Low | 66.5 | Low | 103 Ų | 103 | 121.5 Ų | 121.5 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | trans | -61.1 | 89.6 | 166.8 | -53.9 | 0 | 0 | 0 | 0 | 105.9 | V148 | V148-S150 PolarHBondContact O-N 3.33Š| ||
| 151 | G | 60.3 | Low | 65.2 | Low | 45 Ų | 45 | 121.6 Ų | 121.6 | 46% | 0.464 | 69% | 0.689 | S | S | . | * | trans | -52.2 | 145.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | N149 K153 | N149-G151 PolarHBondContact O-N 3.07Å; G151-K153 PolarHBondContact O-N 2.83Å; G151-K153 VanDerWaalsContact O-N 3.08Å | ||
| 152 | P | 57.2 | Low | 63.8 | Low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -52 | 123.1 | -177.6 | -21 | 30.2 | 0 | 0 | 0 | 109.1 | S154 | P152-S154 VanDerWaalsContact C-N 3.31Å; P152-S154 PolarHBondContact O-N 2.92Å | ||
| 153 | K | 55.3 | Low | 62.2 | Low | 185 Ų | 185 | 129.1 Ų | 129.1 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -62.3 | 101.2 | 167.5 | -68.7 | -171.6 | -175 | 179.5 | 0 | 106.3 | G151 N155 | G151-K153 PolarHBondContact O-N 2.83Å; G151-K153 VanDerWaalsContact O-N 3.08Å; K153-N155 PolarHBondContact O-N 3.43Å; K153-N155 PolarHBondContact O-ND2 2.95Å | ||
| 154 | S | 57.2 | Low | 60.7 | Low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -66.9 | 92.2 | 166.3 | 54.7 | 0 | 0 | 0 | 0 | 106.8 | P152 L156 | P152-S154 VanDerWaalsContact C-N 3.31Å; P152-S154 PolarHBondContact O-N 2.92Å; S154-L156 PolarHBondContact O-N 3.48Å | ||
| 155 | N | 57 | Low | 59.3 | Low | 151 Ų | 151 | 127.3 Ų | 127.3 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 104.5 | 162.6 | -61.8 | -69.2 | 0 | 0 | 0 | 105.8 | K153 | K153-N155 PolarHBondContact O-N 3.43Å; K153-N155 PolarHBondContact O-ND2 2.95Å | ||
| 156 | L | 56 | Low | 58.6 | Low | 237 Ų | 237 | 131.6 Ų | 131.6 | 100% | 1.241 | 77% | 0.767 | S | S | * | * | trans | -81.7 | 0 | 160.9 | -91.3 | 152.8 | 0 | 0 | 0 | 108.5 | S154 | S154-L156 PolarHBondContact O-N 3.48Š|
Retrieved 156 of 156 residues in 72.7 ms
(Link to these results)