| 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 | 35.9 | Very low | 54.4 | Low | 238 Ų | 238 | 109.4 Ų | 109.4 | 100% | 1.172 | 61% | 0.613 | S | S | * | * | 0 | 117.5 | 0 | -67.7 | 150 | 117.9 | 0 | 0 | 106.6 | |||||
| 2 | S | 39.6 | Very low | 57 | Low | 84 Ų | 84 | 103 Ų | 103 | 59% | 0.587 | 59% | 0.59 | S | S | * | * | cis | -148.6 | 120.7 | 11.9 | -67.3 | 0 | 0 | 0 | 0 | 108 | L4 | S2-L4 PolarHBondContact O-N 3.27Š| ||
| 3 | C | 48.1 | Very low | 59.5 | Low | 41 Ų | 41 | 95.5 Ų | 95.5 | 28% | 0.277 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 7.6 | 168.8 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | R83 | C3-R83 PolarHBondContact O-NE 3.34Å; C3-R83 PolarHBondContact O-NH1 2.95Å; C3-R83 PolarHBondContact O-NH2 2.95Å |
| 4 | L | 51.6 | Low | 61.8 | Low | 135 Ų | 135 | 92.4 Ų | 92.4 | 71% | 0.707 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -10.9 | 179 | -88.6 | 110 | 0 | 0 | 0 | 114.4 | S2 | S2-L4 PolarHBondContact O-N 3.27Š|
| 5 | G | 43 | Very low | 63.8 | Low | 63 Ų | 63 | 92.7 Ų | 92.7 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -82.9 | -18.3 | -156.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 6 | K | 47.4 | Very low | 65.7 | Low | 205 Ų | 205 | 87 Ų | 87 | 89% | 0.891 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -166.6 | 21.8 | -174.7 | -117.2 | 164.1 | -174.2 | 177.1 | 0 | 116.7 | ||
| 7 | G | 50.8 | Low | 67.4 | Low | 17 Ų | 17 | 82.9 Ų | 82.9 | 18% | 0.175 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 127.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | W9 E86 | G7-W9 PolarHBondContact O-N 2.69Å; G7-E86 WeakPolarHBondContact CA-OE2 3.48Å |
| 8 | G | 58.6 | Low | 69 | Low | 70 Ų | 70 | 83.8 Ų | 83.8 | 72% | 0.722 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 134.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 9 | W | 65.6 | Low | 70.4 | Confident | 206 Ų | 206 | 82.3 Ų | 82.3 | 78% | 0.78 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 138.7 | 179.6 | -70.4 | 61.1 | 0 | 0 | 0 | 109.2 | G7 L11 | G7-W9 PolarHBondContact O-N 2.69Å; W9-L11 PolarHBondContact O-N 3.21Å |
| 10 | P | 75.4 | Confident | 71.6 | Confident | 20 Ų | 20 | 78.2 Ų | 78.2 | 13% | 0.13 | 44% | 0.444 | C | S | . | . | trans | -73.4 | 75.2 | 175.8 | 31.6 | -34.4 | 0 | 0 | 0 | 109.3 | G12 S13 V14 F79 | P10-G12 PolarHBondContact O-N 2.98Å; P10-G12 VanDerWaalsContact O-N 3.16Å; P10-S13 PolarHBondContact O-N 3.05Å; P10-V14 PolarHBondContact O-N 2.67Å; P10-V14 VanDerWaalsContact O-N 3.15Å; P10-F79 HydrophobicContact CG-CB 4.22Å; P10-F79 HydrophobicContact CG-CD2 3.63Å; P10-F79 HydrophobicContact CG-CG 4.41Å | ||
| 11 | L | 82.4 | Confident | 72.8 | Confident | 124 Ų | 124 | 78.6 Ų | 78.6 | 65% | 0.649 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -52.1 | -39.8 | -177.2 | -75.1 | 165.7 | 0 | 0 | 0 | 110.9 | W9 S13 V14 I15 | W9-L11 PolarHBondContact O-N 3.21Å; L11-S13 PolarHBondContact O-N 2.97Å; L11-V14 PolarHBondContact O-N 3.09Å; L11-I15 WeakPolarHBondContact O-CB 3.05Å; L11-I15 WeakPolarHBondContact O-CD1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.19Å |
| 12 | G | 85.6 | Confident | 75.7 | Confident | 33 Ų | 33 | 71.5 Ų | 71.5 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P10 A16 | P10-G12 PolarHBondContact O-N 2.98Å; P10-G12 VanDerWaalsContact O-N 3.16Å; G12-A16 WeakPolarHBondContact O-CB 3.4Å; G12-A16 PolarHBondContact O-N 3.34Å |
| 13 | S | 89.7 | Confident | 78.4 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 4% | 0.035 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.4 | -33.7 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | P10 L11 L17 | P10-S13 PolarHBondContact O-N 3.05Å; L11-S13 PolarHBondContact O-N 2.97Å; S13-L17 WeakPolarHBondContact O-CB 2.99Å; S13-L17 PolarHBondContact O-N 3.41Å |
| 14 | V | 91 | Very high | 80.7 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 32% | 0.321 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.5 | -44.1 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | P10 L11 A16 L17 L18 | P10-V14 PolarHBondContact O-N 2.67Å; P10-V14 VanDerWaalsContact O-N 3.15Å; L11-V14 PolarHBondContact O-N 3.09Å; V14-A16 VanDerWaalsContact C-N 3.33Å; V14-A16 PolarHBondContact O-N 3.06Å; V14-L17 WeakPolarHBondContact O-CB 3.4Å; V14-L17 PolarHBondContact O-N 3.21Å; V14-L18 HydrophobicContact CG1-CD1 4.35Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.44Å |
| 15 | I | 92.4 | Very high | 82.7 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.7 | -67 | 164.1 | 0 | 0 | 0 | 109.9 | L11 L17 L18 V19 | L11-I15 WeakPolarHBondContact O-CB 3.05Å; L11-I15 WeakPolarHBondContact O-CD1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.19Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 3.39Å; I15-L18 PolarHBondContact O-N 2.92Å; I15-V19 HydrophobicContact CG2-CG2 4.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 2.66Å |
| 16 | A | 93.5 | Very high | 85.2 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G12 V14 C20 H211 F212 | G12-A16 WeakPolarHBondContact O-CB 3.4Å; G12-A16 PolarHBondContact O-N 3.34Å; V14-A16 VanDerWaalsContact C-N 3.33Å; V14-A16 PolarHBondContact O-N 3.06Å; A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.22Å; A16-H211 HydrophobicContact CB-CB 3.77Å; A16-F212 HydrophobicContact CB-CD1 4.24Å; A16-F212 HydrophobicContact CB-CD2 3.8Å; A16-F212 HydrophobicContact CB-CE1 4.13Å; A16-F212 HydrophobicContact CB-CE2 3.68Å; A16-F212 HydrophobicContact CB-CG 4.08Å; A16-F212 HydrophobicContact CB-CZ 3.85Å |
| 17 | L | 95.1 | Very high | 87.5 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 175.5 | -177.2 | 67.7 | 0 | 0 | 0 | 111.4 | S13 V14 I15 V19 C20 W21 F72 C75 F212 | S13-L17 WeakPolarHBondContact O-CB 2.99Å; S13-L17 PolarHBondContact O-N 3.41Å; V14-L17 WeakPolarHBondContact O-CB 3.4Å; V14-L17 PolarHBondContact O-N 3.21Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 3.39Å; L17-V19 PolarHBondContact O-N 3.33Å; L17-C20 PolarHBondContact O-N 2.89Å; L17-W21 HydrophobicContact CD1-CD2 4.41Å; L17-W21 HydrophobicContact CD1-CG 4.46Å; L17-W21 HydrophobicContact CD1-CZ2 4.39Å; L17-W21 HydrophobicContact CG-CD2 4.37Å; L17-W21 WeakPolarHBondContact O-CB 3.36Å; L17-W21 PolarHBondContact O-N 3.13Å; L17-F72 HydrophobicContact CD1-CB 4.4Å; L17-F72 HydrophobicContact CD2-CD2 4.12Å; L17-C75 HydrophobicContact CB-CB 4.42Å; L17-C75 HydrophobicContact CD1-CB 4.33Å; L17-C75 HydrophobicContact CD2-CB 4.18Å; L17-F212 HydrophobicContact CB-CZ 3.96Å; L17-F212 HydrophobicContact CD1-CZ 4.41Å |
| 18 | L | 95.9 | Very high | 89.5 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | -179.1 | -68.7 | 173.6 | 0 | 0 | 0 | 111.5 | V14 I15 W21 V22 | V14-L18 HydrophobicContact CG1-CD1 4.35Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.44Å; I15-L18 PolarHBondContact O-N 2.92Å; L18-W21 PolarHBondContact O-N 3.29Å; L18-V22 WeakPolarHBondContact O-CB 3.12Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.48Å; L18-V22 PolarHBondContact O-N 3.26Å |
| 19 | V | 95.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 55 Ų | 55 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 178.1 | 174.4 | 0 | 0 | 0 | 0 | 111 | I15 L17 G23 A204 | I15-V19 HydrophobicContact CG2-CG2 4.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 2.66Å; L17-V19 PolarHBondContact O-N 3.33Å; V19-G23 PolarHBondContact O-N 3.26Å; V19-A204 HydrophobicContact CG1-CB 4.22Å; V19-A204 VanDerWaalsContact CG1-O 3.31Å; V19-A204 WeakPolarHBondContact CG1-O 3.42Å |
| 20 | C | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 174 | -85.5 | 0 | 0 | 0 | 0 | 111.9 | A16 L17 G23 I24 T71 G208 | A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.22Å; L17-C20 PolarHBondContact O-N 2.89Å; C20-G23 PolarHBondContact O-N 3.2Å; C20-I24 HydrophobicContact CB-CD1 4.44Å; C20-I24 WeakPolarHBondContact O-CB 3.43Å; C20-I24 WeakPolarHBondContact O-CD1 3.37Å; C20-I24 WeakPolarHBondContact O-CG1 2.96Å; C20-I24 PolarHBondContact O-N 3.31Å; C20-T71 HydrophobicContact CB-CG2 4.1Å; C20-G208 VanDerWaalsContact SG-CA 3.54Å |
| 21 | W | 96.5 | Very high | 93.1 | Very high | 87 Ų | 87 | 48.2 Ų | 48.2 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | -177.4 | -84.7 | 14.2 | 0 | 0 | 0 | 112.9 | L17 L18 T25 M68 T71 F72 | L17-W21 HydrophobicContact CD1-CD2 4.41Å; L17-W21 HydrophobicContact CD1-CG 4.46Å; L17-W21 HydrophobicContact CD1-CZ2 4.39Å; L17-W21 HydrophobicContact CG-CD2 4.37Å; L17-W21 WeakPolarHBondContact O-CB 3.36Å; L17-W21 PolarHBondContact O-N 3.13Å; L18-W21 PolarHBondContact O-N 3.29Å; W21-T25 VanDerWaalsContact O-CB 3.28Å; W21-T25 WeakPolarHBondContact O-CB 3.3Å; W21-T25 PolarHBondContact O-N 3.24Å; W21-T25 PolarHBondContact O-OG1 3.3Å; W21-M68 HydrophobicContact CB-CE 3.75Å; W21-M68 HydrophobicContact CB-SD 3.89Å; W21-M68 VanDerWaalsContact CD1-CE 3.49Å; W21-M68 HydrophobicContact CD2-CE 3.38Å; W21-M68 HydrophobicContact CD2-SD 4.18Å; W21-M68 HydrophobicContact CE3-CE 4.01Å; W21-M68 HydrophobicContact CG-CE 3.27Å; W21-M68 HydrophobicContact CG-SD 3.5Å; W21-M68 VanDerWaalsContact CG-SD 3.5Å; W21-M68 HydrophobicContact CZ2-CE 4.39Å; W21-M68 PolarHBondContact NE1-O 3.37Å; W21-T71 PolarHBondContact NE1-OG1 3.04Å; W21-F72 HydrophobicContact CH2-CD2 4.5Å; W21-F72 HydrophobicContact CZ2-CB 4.22Å; W21-F72 HydrophobicContact CZ2-CD2 4.17Å |
| 22 | V | 96.6 | Very high | 93.5 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61 | -47 | 173.2 | 172.6 | 0 | 0 | 0 | 0 | 110 | L18 T25 V26 | L18-V22 WeakPolarHBondContact O-CB 3.12Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.48Å; L18-V22 PolarHBondContact O-N 3.26Å; V22-T25 PolarHBondContact O-N 3.21Å; V22-V26 HydrophobicContact CG1-CG2 4.37Å; V22-V26 WeakPolarHBondContact O-CB 3.03Å; V22-V26 VanDerWaalsContact O-CG2 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 2.99Å; V22-V26 PolarHBondContact O-N 3.4Å |
| 23 | G | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V19 C20 T25 V26 F27 G201 V205 | V19-G23 PolarHBondContact O-N 3.26Å; C20-G23 PolarHBondContact O-N 3.2Å; G23-T25 VanDerWaalsContact C-N 3.34Å; G23-T25 PolarHBondContact O-N 3.36Å; G23-V26 PolarHBondContact O-N 3.11Å; G23-F27 VanDerWaalsContact O-CB 3.3Å; G23-F27 WeakPolarHBondContact O-CB 2.92Å; G23-F27 PolarHBondContact O-N 3.23Å; G23-G201 WeakPolarHBondContact CA-O 3.29Å; G23-V205 VanDerWaalsContact C-CG2 3.48Å |
| 24 | I | 95.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 178.6 | -66 | 157.6 | 0 | 0 | 0 | 110 | C20 F27 C28 M67 M68 W121 V205 | C20-I24 HydrophobicContact CB-CD1 4.44Å; C20-I24 WeakPolarHBondContact O-CB 3.43Å; C20-I24 WeakPolarHBondContact O-CD1 3.37Å; C20-I24 WeakPolarHBondContact O-CG1 2.96Å; C20-I24 PolarHBondContact O-N 3.31Å; I24-F27 PolarHBondContact O-N 2.95Å; I24-C28 VanDerWaalsContact O-CB 3.28Å; I24-C28 WeakPolarHBondContact O-CB 3.11Å; I24-C28 PolarHBondContact O-N 3.27Å; I24-C28 PolarHBondContact O-SG 2.87Å; I24-C28 VanDerWaalsContact O-SG 3.35Å; I24-M67 HydrophobicContact CD1-CB 3.99Å; I24-M67 HydrophobicContact CD1-CG 3.43Å; I24-M67 VanDerWaalsContact CD1-CG 3.43Å; I24-M67 HydrophobicContact CG1-CB 4.47Å; I24-M67 HydrophobicContact CG1-CG 3.9Å; I24-M68 HydrophobicContact CB-SD 3.9Å; I24-M68 HydrophobicContact CD1-CG 4.28Å; I24-M68 HydrophobicContact CD1-SD 3.79Å; I24-M68 HydrophobicContact CG1-SD 4.47Å; I24-M68 HydrophobicContact CG2-CG 3.96Å; I24-M68 HydrophobicContact CG2-SD 3.94Å; I24-W121 HydrophobicContact CG1-CZ2 4.19Å; I24-V205 HydrophobicContact CG1-CG1 4.49Å; I24-V205 HydrophobicContact CG1-CG2 3.75Å |
| 25 | T | 95 | Very high | 93.3 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 39% | 0.387 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.8 | -44.3 | -176.7 | -57 | 0 | 0 | 0 | 0 | 110.9 | W21 V22 G23 M29 | W21-T25 VanDerWaalsContact O-CB 3.28Å; W21-T25 WeakPolarHBondContact O-CB 3.3Å; W21-T25 PolarHBondContact O-N 3.24Å; W21-T25 PolarHBondContact O-OG1 3.3Å; V22-T25 PolarHBondContact O-N 3.21Å; G23-T25 VanDerWaalsContact C-N 3.34Å; G23-T25 PolarHBondContact O-N 3.36Å; T25-M29 HydrophobicContact CG2-CE 4.01Å; T25-M29 HydrophobicContact CG2-SD 4.36Å; T25-M29 WeakPolarHBondContact O-CB 3.34Å; T25-M29 VanDerWaalsContact O-CG 3.3Å; T25-M29 WeakPolarHBondContact O-CG 3.3Å; T25-M29 PolarHBondContact O-N 2.8Å |
| 26 | V | 95.1 | Very high | 93 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 28% | 0.279 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -47 | 174.5 | 172 | 0 | 0 | 0 | 0 | 110.7 | V22 G23 K30 | V22-V26 HydrophobicContact CG1-CG2 4.37Å; V22-V26 WeakPolarHBondContact O-CB 3.03Å; V22-V26 VanDerWaalsContact O-CG2 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 2.99Å; V22-V26 PolarHBondContact O-N 3.4Å; G23-V26 PolarHBondContact O-N 3.11Å; V26-K30 HydrophobicContact CG1-CG 4.42Å; V26-K30 WeakPolarHBondContact O-CB 3.47Å; V26-K30 WeakPolarHBondContact O-CG 3.5Å; V26-K30 PolarHBondContact O-N 2.03Å; V26-K30 VanDerWaalsContact O-N 3.08Å |
| 27 | F | 94.7 | Very high | 92.5 | Very high | 27 Ų | 27 | 44.1 Ų | 44.1 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 179.2 | 178.3 | -99.4 | 0 | 0 | 0 | 112.1 | G23 I24 K30 A31 L60 W121 I124 I128 A198 | G23-F27 VanDerWaalsContact O-CB 3.3Å; G23-F27 WeakPolarHBondContact O-CB 2.92Å; G23-F27 PolarHBondContact O-N 3.23Å; I24-F27 PolarHBondContact O-N 2.95Å; F27-K30 PolarHBondContact O-N 3.34Å; F27-A31 VanDerWaalsContact O-CB 3.25Å; F27-A31 WeakPolarHBondContact O-CB 3.42Å; F27-A31 PolarHBondContact O-N 3.38Å; F27-L60 HydrophobicContact CE1-CD2 4.5Å; F27-W121 HydrophobicContact CB-CH2 4.28Å; F27-W121 HydrophobicContact CB-CZ3 4.42Å; F27-W121 AromaticContact CD1-CH2 3.76Å; F27-W121 HydrophobicContact CD1-CH2 3.76Å; F27-W121 HydrophobicContact CD1-CZ3 4.06Å; F27-W121 HydrophobicContact CD2-CZ3 4.43Å; F27-W121 HydrophobicContact CE1-CH2 4.35Å; F27-W121 HydrophobicContact CE1-CZ3 4.49Å; F27-W121 HydrophobicContact CG-CH2 4.05Å; F27-W121 HydrophobicContact CG-CZ3 4.03Å; F27-I124 HydrophobicContact CE2-CG2 3.96Å; F27-I124 HydrophobicContact CZ-CG2 3.68Å; F27-I128 HydrophobicContact CD2-CD1 4.18Å; F27-I128 HydrophobicContact CE2-CD1 3.61Å; F27-I128 HydrophobicContact CE2-CG1 4.36Å; F27-A198 HydrophobicContact CD2-CB 4.05Å; F27-A198 HydrophobicContact CE2-CB 4.31Å |
| 28 | C | 93.5 | Very high | 91.7 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | -179.1 | -75.4 | 0 | 0 | 0 | 0 | 112.4 | I24 Y32 | I24-C28 VanDerWaalsContact O-CB 3.28Å; I24-C28 WeakPolarHBondContact O-CB 3.11Å; I24-C28 PolarHBondContact O-N 3.27Å; I24-C28 PolarHBondContact O-SG 2.87Å; I24-C28 VanDerWaalsContact O-SG 3.35Å; C28-Y32 VanDerWaalsContact O-CB 3.3Å; C28-Y32 WeakPolarHBondContact O-CB 3.42Å; C28-Y32 PolarHBondContact O-N 2.9Å |
| 29 | M | 92.8 | Very high | 90.8 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 50% | 0.502 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 177.1 | -72.3 | -167.4 | -57.6 | 0 | 0 | 111.2 | T25 Y32 D33 | T25-M29 HydrophobicContact CG2-CE 4.01Å; T25-M29 HydrophobicContact CG2-SD 4.36Å; T25-M29 WeakPolarHBondContact O-CB 3.34Å; T25-M29 VanDerWaalsContact O-CG 3.3Å; T25-M29 WeakPolarHBondContact O-CG 3.3Å; T25-M29 PolarHBondContact O-N 2.8Å; M29-Y32 PolarHBondContact O-N 3.49Å; M29-D33 VanDerWaalsContact O-CG 3.23Å; M29-D33 PolarHBondContact O-N 3.07Å |
| 30 | K | 92.7 | Very high | 89.8 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.3 | -33.2 | -177 | -61.4 | -66.8 | 172.7 | -154 | 0 | 113.2 | V26 F27 D33 G34 S197 A198 | V26-K30 HydrophobicContact CG1-CG 4.42Å; V26-K30 WeakPolarHBondContact O-CB 3.47Å; V26-K30 WeakPolarHBondContact O-CG 3.5Å; V26-K30 PolarHBondContact O-N 2.03Å; V26-K30 VanDerWaalsContact O-N 3.08Å; F27-K30 PolarHBondContact O-N 3.34Å; K30-D33 IonicContact NZ-OD2 2.72Å; K30-G34 PolarHBondContact O-N 2.88Å; K30-S197 WeakPolarHBondContact CD-OG 3.21Å; K30-S197 WeakPolarHBondContact CG-OG 3.47Å; K30-A198 HydrophobicContact CB-CB 4.49Å |
| 31 | A | 90.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F27 G34 V35 L60 | F27-A31 VanDerWaalsContact O-CB 3.25Å; F27-A31 WeakPolarHBondContact O-CB 3.42Å; F27-A31 PolarHBondContact O-N 3.38Å; A31-G34 PolarHBondContact O-N 3.35Å; A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.42Å; A31-L60 HydrophobicContact CB-CD1 3.9Å; A31-L60 HydrophobicContact CB-CD2 4.21Å |
| 32 | Y | 90.8 | Very high | 86.9 | Confident | 92 Ų | 92 | 48 Ų | 48 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -50.3 | 177.3 | -173 | -81 | 0 | 0 | 0 | 111.7 | C28 M29 G34 V35 D36 K57 L61 | C28-Y32 VanDerWaalsContact O-CB 3.3Å; C28-Y32 WeakPolarHBondContact O-CB 3.42Å; C28-Y32 PolarHBondContact O-N 2.9Å; M29-Y32 PolarHBondContact O-N 3.49Å; Y32-G34 PolarHBondContact O-N 3.44Å; Y32-V35 PolarHBondContact O-N 2.88Å; Y32-D36 WeakPolarHBondContact O-CB 3.21Å; Y32-D36 PolarHBondContact O-N 3.04Å; Y32-K57 HydrophobicContact CD2-CB 4.11Å; Y32-K57 HydrophobicContact CD2-CD 4.44Å; Y32-K57 HydrophobicContact CD2-CG 4.13Å; Y32-K57 HydrophobicContact CE2-CB 3.87Å; Y32-K57 HydrophobicContact CE2-CD 3.92Å; Y32-K57 HydrophobicContact CE2-CG 4.01Å; Y32-L61 HydrophobicContact CD2-CD1 4.48Å; Y32-L61 HydrophobicContact CE2-CD1 4.33Å |
| 33 | D | 89.6 | Confident | 85.3 | Confident | 56 Ų | 56 | 47 Ų | 47 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.4 | -44.2 | 176.2 | -68.5 | -18.7 | 0 | 0 | 0 | 110.5 | M29 K30 D36 S37 W194 | M29-D33 VanDerWaalsContact O-CG 3.23Å; M29-D33 PolarHBondContact O-N 3.07Å; K30-D33 IonicContact NZ-OD2 2.72Å; D33-D36 PolarHBondContact O-N 3.31Å; D33-S37 PolarHBondContact O-N 3.38Å; D33-S37 PolarHBondContact O-OG 3.02Å; D33-W194 HydrophobicContact CB-CD2 4.31Å; D33-W194 HydrophobicContact CB-CE3 4.14Å; D33-W194 HydrophobicContact CB-CH2 3.78Å; D33-W194 HydrophobicContact CB-CZ2 4.03Å; D33-W194 HydrophobicContact CB-CZ3 3.89Å; D33-W194 WeakPolarHBondContact O-CH2 3.4Å; D33-W194 WeakPolarHBondContact O-CZ3 3.47Å |
| 34 | G | 87 | Confident | 83.5 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.7 | -52.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K30 A31 Y32 D36 S37 I38 W194 | K30-G34 PolarHBondContact O-N 2.88Å; A31-G34 PolarHBondContact O-N 3.35Å; Y32-G34 PolarHBondContact O-N 3.44Å; G34-D36 VanDerWaalsContact C-N 3.3Å; G34-D36 PolarHBondContact O-N 3.08Å; G34-S37 PolarHBondContact O-N 3.26Å; G34-I38 WeakPolarHBondContact O-CG1 3.34Å; G34-I38 PolarHBondContact O-N 3.02Å; G34-I38 VanDerWaalsContact O-N 3.09Å; G34-W194 VanDerWaalsContact CA-CE3 3.47Å; G34-W194 VanDerWaalsContact CA-CZ3 3.49Å |
| 35 | V | 85.3 | Confident | 81.6 | Confident | 24 Ų | 24 | 55 Ų | 55 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 111 | A31 Y32 I38 E39 T53 V56 K57 L60 | A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.42Å; Y32-V35 PolarHBondContact O-N 2.88Å; V35-I38 PolarHBondContact O-N 3.39Å; V35-E39 PolarHBondContact O-N 3.42Å; V35-T53 HydrophobicContact CG1-CG2 4.04Å; V35-V56 HydrophobicContact CG2-CG1 4.22Å; V35-K57 HydrophobicContact CB-CG 4.08Å; V35-K57 HydrophobicContact CG1-CD 4.32Å; V35-K57 HydrophobicContact CG1-CG 3.71Å; V35-L60 HydrophobicContact CG2-CD1 4.29Å |
| 36 | D | 85.7 | Confident | 79.7 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 177.2 | -164.9 | 58.1 | 0 | 0 | 0 | 112.7 | Y32 D33 G34 E39 R40 K57 | Y32-D36 WeakPolarHBondContact O-CB 3.21Å; Y32-D36 PolarHBondContact O-N 3.04Å; D33-D36 PolarHBondContact O-N 3.31Å; G34-D36 VanDerWaalsContact C-N 3.3Å; G34-D36 PolarHBondContact O-N 3.08Å; D36-E39 PolarHBondContact O-N 3.47Å; D36-R40 WeakPolarHBondContact O-CG 3.4Å; D36-R40 PolarHBondContact O-N 2.03Å; D36-R40 VanDerWaalsContact O-N 3.13Å; D36-R40 IonicContact OD2-CZ 2.69Å; D36-R40 IonicContact OD2-NE 2.67Å; D36-R40 PolarHBondContact OD2-NE 2.89Å; D36-R40 VanDerWaalsContact OD2-NE 3.09Å; D36-R40 IonicContact OD2-NH2 3.14Å; D36-R40 PolarHBondContact OD2-NH2 3.09Å; D36-K57 IonicContact OD1-NZ 2.68Å; D36-K57 PolarHBondContact OD1-NZ 2.93Å |
| 37 | S | 82.3 | Confident | 77.9 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | D33 G34 E39 R40 L41 W194 | D33-S37 PolarHBondContact O-N 3.38Å; D33-S37 PolarHBondContact O-OG 3.02Å; G34-S37 PolarHBondContact O-N 3.26Å; S37-E39 PolarHBondContact O-N 3.35Å; S37-R40 PolarHBondContact O-N 3.23Å; S37-L41 WeakPolarHBondContact O-CD1 3.49Å; S37-L41 PolarHBondContact O-N 3.46Å; S37-W194 WeakPolarHBondContact OG-CH2 3.5Å; S37-W194 WeakPolarHBondContact OG-CZ3 3.43Å |
| 38 | I | 78.7 | Confident | 76.2 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.7 | -68 | 166.8 | 0 | 0 | 0 | 110.2 | G34 V35 L41 A42 L191 | G34-I38 WeakPolarHBondContact O-CG1 3.34Å; G34-I38 PolarHBondContact O-N 3.02Å; G34-I38 VanDerWaalsContact O-N 3.09Å; V35-I38 PolarHBondContact O-N 3.39Å; I38-L41 PolarHBondContact O-N 2.99Å; I38-A42 WeakPolarHBondContact O-CB 3.29Å; I38-A42 PolarHBondContact O-N 3.41Å; I38-L191 HydrophobicContact CD1-CD2 4.4Å; I38-L191 HydrophobicContact CG1-CD2 4.33Å |
| 39 | E | 78.2 | Confident | 74.6 | Confident | 56 Ų | 56 | 69 Ų | 69 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.7 | -173.5 | 174 | 176.2 | 0 | 0 | 112.5 | V35 D36 S37 L41 A42 S43 T53 K57 | V35-E39 PolarHBondContact O-N 3.42Å; D36-E39 PolarHBondContact O-N 3.47Å; S37-E39 PolarHBondContact O-N 3.35Å; E39-L41 PolarHBondContact O-N 3.45Å; E39-A42 PolarHBondContact O-N 2.9Å; E39-S43 PolarHBondContact O-N 3.33Å; E39-T53 HydrophobicContact CB-CG2 4.47Å; E39-K57 WeakPolarHBondContact OE2-CE 3.4Å; E39-K57 IonicContact OE2-NZ 3.09Å; E39-K57 PolarHBondContact OE2-NZ 3.02Å |
| 40 | R | 73.4 | Confident | 73.2 | Confident | 168 Ų | 168 | 68.9 Ų | 68.9 | 63% | 0.634 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.8 | -25.4 | 178.3 | -67.1 | 176.1 | -165.6 | -174.7 | 2.6 | 113.7 | D36 S37 S43 | D36-R40 WeakPolarHBondContact O-CG 3.4Å; D36-R40 PolarHBondContact O-N 2.03Å; D36-R40 VanDerWaalsContact O-N 3.13Å; D36-R40 IonicContact OD2-CZ 2.69Å; D36-R40 IonicContact OD2-NE 2.67Å; D36-R40 PolarHBondContact OD2-NE 2.89Å; D36-R40 VanDerWaalsContact OD2-NE 3.09Å; D36-R40 IonicContact OD2-NH2 3.14Å; D36-R40 PolarHBondContact OD2-NH2 3.09Å; S37-R40 PolarHBondContact O-N 3.23Å; R40-S43 PolarHBondContact O-OG 2.94Å |
| 41 | L | 66.8 | Low | 72.1 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -94 | -27 | 174 | -77.1 | 94.2 | 0 | 0 | 0 | 113.1 | S37 I38 E39 S43 D44 V45 K183 L187 | S37-L41 WeakPolarHBondContact O-CD1 3.49Å; S37-L41 PolarHBondContact O-N 3.46Å; I38-L41 PolarHBondContact O-N 2.99Å; E39-L41 PolarHBondContact O-N 3.45Å; L41-S43 PolarHBondContact O-N 2.68Å; L41-D44 PolarHBondContact O-N 2.99Å; L41-D44 VanDerWaalsContact O-N 3.11Å; L41-V45 PolarHBondContact O-N 3.38Å; L41-K183 HydrophobicContact CD2-CB 4.48Å; L41-L187 HydrophobicContact CD1-CD1 3.46Å; L41-L187 VanDerWaalsContact CD1-CD1 3.46Å; L41-L187 HydrophobicContact CD2-CB 3.94Å; L41-L187 HydrophobicContact CD2-CD1 4Å; L41-L187 HydrophobicContact CD2-CD2 4.1Å; L41-L187 HydrophobicContact CD2-CG 4.23Å; L41-L187 HydrophobicContact CG-CD1 4.25Å |
| 42 | A | 64.8 | Low | 71.3 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.7 | -32.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I38 E39 D44 V45 F46 A47 L49 | I38-A42 WeakPolarHBondContact O-CB 3.29Å; I38-A42 PolarHBondContact O-N 3.41Å; E39-A42 PolarHBondContact O-N 2.9Å; A42-D44 PolarHBondContact O-N 3.34Å; A42-V45 PolarHBondContact O-N 3.31Å; A42-F46 CarbonylContact O-C 3.04Å; A42-F46 WeakPolarHBondContact O-CA 3.5Å; A42-F46 PolarHBondContact O-N 3.04Å; A42-A47 PolarHBondContact O-N 3.07Å; A42-L49 HydrophobicContact CB-CB 4.4Å |
| 43 | S | 63.1 | Low | 70.6 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.2 | -26.3 | 173.4 | 44.9 | 0 | 0 | 0 | 0 | 113.7 | E39 R40 L41 | E39-S43 PolarHBondContact O-N 3.33Å; R40-S43 PolarHBondContact O-OG 2.94Å; L41-S43 PolarHBondContact O-N 2.68Å |
| 44 | D | 58.3 | Low | 70.1 | Confident | 104 Ų | 104 | 72.6 Ų | 72.6 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -94 | -26.1 | -179.6 | -79.6 | -0.5 | 0 | 0 | 0 | 113.7 | L41 A42 K183 | L41-D44 PolarHBondContact O-N 2.99Å; L41-D44 VanDerWaalsContact O-N 3.11Å; A42-D44 PolarHBondContact O-N 3.34Å; D44-K183 IonicContact OD2-NZ 3.74Å; D44-K183 PolarHBondContact OD2-NZ 3.21Å |
| 45 | V | 55.9 | Low | 70 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 42% | 0.418 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -130.2 | -30.2 | -167.3 | -165.6 | 0 | 0 | 0 | 0 | 113.9 | L41 A42 | L41-V45 PolarHBondContact O-N 3.38Å; A42-V45 PolarHBondContact O-N 3.31Å |
| 46 | F | 54 | Low | 70.1 | Confident | 112 Ų | 112 | 79 Ų | 79 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | trans | -145.5 | 77.6 | -174.2 | -68.9 | -75.6 | 0 | 0 | 0 | 111.9 | A42 F48 L49 | A42-F46 CarbonylContact O-C 3.04Å; A42-F46 WeakPolarHBondContact O-CA 3.5Å; A42-F46 PolarHBondContact O-N 3.04Å; F46-F48 PolarHBondContact O-N 3.19Å; F46-L49 HydrophobicContact CB-CD1 3.76Å; F46-L49 HydrophobicContact CG-CD1 4.48Å; F46-L49 PolarHBondContact O-N 2.99Å | ||
| 47 | A | 57.3 | Low | 70.2 | Confident | 77 Ų | 77 | 78.3 Ų | 78.3 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -54.2 | -19.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A42 L49 | A42-A47 PolarHBondContact O-N 3.07Å; A47-L49 PolarHBondContact O-N 3.36Å |
| 48 | F | 59.7 | Low | 70.6 | Confident | 189 Ų | 189 | 83.3 Ų | 83.3 | 83% | 0.829 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -69.3 | -25 | -178.5 | -163.2 | -95.6 | 0 | 0 | 0 | 114.4 | F46 P51 | F46-F48 PolarHBondContact O-N 3.19Å; F48-P51 WeakPolarHBondContact O-CD 3.3Å |
| 49 | L | 59.3 | Low | 71.2 | Confident | 78 Ų | 78 | 82.5 Ų | 82.5 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -82.4 | -20 | -178.9 | -79.7 | 104.5 | 0 | 0 | 0 | 113.9 | A42 F46 A47 P51 W52 T53 | A42-L49 HydrophobicContact CB-CB 4.4Å; F46-L49 HydrophobicContact CB-CD1 3.76Å; F46-L49 HydrophobicContact CG-CD1 4.48Å; F46-L49 PolarHBondContact O-N 2.99Å; A47-L49 PolarHBondContact O-N 3.36Å; L49-P51 VanDerWaalsContact C-CD 3.45Å; L49-W52 PolarHBondContact O-N 2.89Å; L49-T53 PolarHBondContact O-N 3.04Å |
| 50 | Q | 64.2 | Low | 71.7 | Confident | 98 Ų | 98 | 81.7 Ų | 81.7 | 46% | 0.458 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.6 | -37.2 | -170.7 | -159.7 | 172.7 | -39 | 0 | 0 | 115.7 | W52 T53 | Q50-W52 VanDerWaalsContact C-N 3.27Å; Q50-W52 PolarHBondContact O-N 2.75Å; Q50-T53 PolarHBondContact O-OG1 2.99Å |
| 51 | P | 69.9 | Low | 72.6 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 58% | 0.584 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -76.5 | -10.9 | -178.8 | 28.2 | -33.3 | 0 | 0 | 0 | 114.3 | F48 L49 K55 | F48-P51 WeakPolarHBondContact O-CD 3.3Å; L49-P51 VanDerWaalsContact C-CD 3.45Å; P51-K55 PolarHBondContact O-NZ 3.42Å |
| 52 | W | 73.5 | Confident | 73.9 | Confident | 169 Ų | 169 | 81 Ų | 81 | 64% | 0.64 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -101.5 | -30.3 | -177.4 | -168.5 | 67.7 | 0 | 0 | 0 | 113.1 | L49 Q50 G54 K55 V56 | L49-W52 PolarHBondContact O-N 2.89Å; Q50-W52 VanDerWaalsContact C-N 3.27Å; Q50-W52 PolarHBondContact O-N 2.75Å; W52-G54 VanDerWaalsContact C-N 3.34Å; W52-G54 PolarHBondContact O-N 3.17Å; W52-K55 WeakPolarHBondContact O-CB 3.42Å; W52-K55 PolarHBondContact O-N 2.99Å; W52-V56 HydrophobicContact CD2-CG2 3.52Å; W52-V56 VanDerWaalsContact CE2-CG2 3.5Å; W52-V56 HydrophobicContact CE3-CG2 3.51Å; W52-V56 HydrophobicContact CG-CG2 4.32Å; W52-V56 HydrophobicContact CH2-CG2 3.5Å; W52-V56 VanDerWaalsContact CH2-CG2 3.5Å; W52-V56 HydrophobicContact CZ2-CG2 3.5Å; W52-V56 HydrophobicContact CZ3-CG2 3.51Å; W52-V56 WeakPolarHBondContact O-CG2 3.13Å; W52-V56 PolarHBondContact O-N 3.25Å; W52-V56 VanDerWaalsContact O-N 3.1Å |
| 53 | T | 75.9 | Confident | 75.3 | Confident | 7 Ų | 7 | 86 Ų | 86 | 4% | 0.043 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -57.2 | -42.6 | -178.4 | 42.6 | 0 | 0 | 0 | 0 | 113 | V35 E39 L49 Q50 K55 V56 K57 | V35-T53 HydrophobicContact CG1-CG2 4.04Å; E39-T53 HydrophobicContact CB-CG2 4.47Å; L49-T53 PolarHBondContact O-N 3.04Å; Q50-T53 PolarHBondContact O-OG1 2.99Å; T53-K55 VanDerWaalsContact C-N 3.31Å; T53-K55 PolarHBondContact O-N 3.32Å; T53-V56 PolarHBondContact O-N 3.2Å; T53-K57 WeakPolarHBondContact O-CG 3.15Å; T53-K57 PolarHBondContact O-N 3.03Å |
| 54 | G | 78.4 | Confident | 76.7 | Confident | 43 Ų | 43 | 83 Ų | 83 | 44% | 0.443 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W52 L58 | W52-G54 VanDerWaalsContact C-N 3.34Å; W52-G54 PolarHBondContact O-N 3.17Å; G54-L58 PolarHBondContact O-N 3.44Å |
| 55 | K | 85.6 | Confident | 78.4 | Confident | 140 Ų | 140 | 80.1 Ų | 80.1 | 61% | 0.609 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.4 | -38.9 | 177.5 | -58.8 | -167.9 | -174.6 | 80.4 | 0 | 111.5 | P51 W52 T53 L58 A59 | P51-K55 PolarHBondContact O-NZ 3.42Å; W52-K55 WeakPolarHBondContact O-CB 3.42Å; W52-K55 PolarHBondContact O-N 2.99Å; T53-K55 VanDerWaalsContact C-N 3.31Å; T53-K55 PolarHBondContact O-N 3.32Å; K55-L58 PolarHBondContact O-N 3.18Å; K55-A59 WeakPolarHBondContact O-CB 3.21Å; K55-A59 PolarHBondContact O-N 3.36Å |
| 56 | V | 87.1 | Confident | 80.3 | Confident | 31 Ų | 31 | 81.9 Ų | 81.9 | 19% | 0.188 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 178.2 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | V35 W52 T53 L58 A59 L60 | V35-V56 HydrophobicContact CG2-CG1 4.22Å; W52-V56 HydrophobicContact CD2-CG2 3.52Å; W52-V56 VanDerWaalsContact CE2-CG2 3.5Å; W52-V56 HydrophobicContact CE3-CG2 3.51Å; W52-V56 HydrophobicContact CG-CG2 4.32Å; W52-V56 HydrophobicContact CH2-CG2 3.5Å; W52-V56 VanDerWaalsContact CH2-CG2 3.5Å; W52-V56 HydrophobicContact CZ2-CG2 3.5Å; W52-V56 HydrophobicContact CZ3-CG2 3.51Å; W52-V56 WeakPolarHBondContact O-CG2 3.13Å; W52-V56 PolarHBondContact O-N 3.25Å; W52-V56 VanDerWaalsContact O-N 3.1Å; T53-V56 PolarHBondContact O-N 3.2Å; V56-L58 PolarHBondContact O-N 3.48Å; V56-A59 PolarHBondContact O-N 3.2Å; V56-L60 HydrophobicContact CG1-CD1 4.12Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 3.04Å |
| 57 | K | 88.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 9% | 0.087 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 176.4 | -72.8 | 177 | 174 | 173.3 | 0 | 111.7 | Y32 V35 D36 E39 T53 L60 L61 | Y32-K57 HydrophobicContact CD2-CB 4.11Å; Y32-K57 HydrophobicContact CD2-CD 4.44Å; Y32-K57 HydrophobicContact CD2-CG 4.13Å; Y32-K57 HydrophobicContact CE2-CB 3.87Å; Y32-K57 HydrophobicContact CE2-CD 3.92Å; Y32-K57 HydrophobicContact CE2-CG 4.01Å; V35-K57 HydrophobicContact CB-CG 4.08Å; V35-K57 HydrophobicContact CG1-CD 4.32Å; V35-K57 HydrophobicContact CG1-CG 3.71Å; D36-K57 IonicContact OD1-NZ 2.68Å; D36-K57 PolarHBondContact OD1-NZ 2.93Å; E39-K57 WeakPolarHBondContact OE2-CE 3.4Å; E39-K57 IonicContact OE2-NZ 3.09Å; E39-K57 PolarHBondContact OE2-NZ 3.02Å; T53-K57 WeakPolarHBondContact O-CG 3.15Å; T53-K57 PolarHBondContact O-N 3.03Å; K57-L60 PolarHBondContact O-N 3.22Å; K57-L61 PolarHBondContact O-N 3.26Å |
| 58 | L | 89.5 | Confident | 84.1 | Confident | 114 Ų | 114 | 75.6 Ų | 75.6 | 60% | 0.597 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 177.7 | -175.9 | 64.4 | 0 | 0 | 0 | 111.5 | G54 K55 V56 L60 L61 V62 | G54-L58 PolarHBondContact O-N 3.44Å; K55-L58 PolarHBondContact O-N 3.18Å; V56-L58 PolarHBondContact O-N 3.48Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 2.69Å; L58-L61 PolarHBondContact O-N 2.92Å; L58-V62 HydrophobicContact CD1-CG2 4.4Å; L58-V62 HydrophobicContact CG-CG2 4.46Å; L58-V62 WeakPolarHBondContact O-CG2 3.17Å; L58-V62 PolarHBondContact O-N 2.87Å |
| 59 | A | 91.2 | Very high | 85.8 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K55 V56 L61 V62 L63 | K55-A59 WeakPolarHBondContact O-CB 3.21Å; K55-A59 PolarHBondContact O-N 3.36Å; V56-A59 PolarHBondContact O-N 3.2Å; A59-L61 PolarHBondContact O-N 3.35Å; A59-V62 PolarHBondContact O-N 3.36Å; A59-L63 WeakPolarHBondContact O-CB 2.98Å; A59-L63 VanDerWaalsContact O-CG 3.23Å; A59-L63 WeakPolarHBondContact O-CG 3.41Å; A59-L63 PolarHBondContact O-N 3.02Å |
| 60 | L | 90 | Very high | 87.4 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 20% | 0.199 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 176.3 | -79.8 | 166.7 | 0 | 0 | 0 | 112.4 | F27 A31 V35 V56 K57 L58 G64 | F27-L60 HydrophobicContact CE1-CD2 4.5Å; A31-L60 HydrophobicContact CB-CD1 3.9Å; A31-L60 HydrophobicContact CB-CD2 4.21Å; V35-L60 HydrophobicContact CG2-CD1 4.29Å; V56-L60 HydrophobicContact CG1-CD1 4.12Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 3.04Å; K57-L60 PolarHBondContact O-N 3.22Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 2.69Å; L60-G64 PolarHBondContact O-N 2.99Å |
| 61 | L | 91.6 | Very high | 88.9 | Confident | 108 Ų | 108 | 62.5 Ų | 62.5 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 177 | -100.7 | 160.8 | 0 | 0 | 0 | 112.1 | Y32 K57 L58 A59 G64 G65 | Y32-L61 HydrophobicContact CD2-CD1 4.48Å; Y32-L61 HydrophobicContact CE2-CD1 4.33Å; K57-L61 PolarHBondContact O-N 3.26Å; L58-L61 PolarHBondContact O-N 2.92Å; A59-L61 PolarHBondContact O-N 3.35Å; L61-G64 PolarHBondContact O-N 2.86Å; L61-G65 PolarHBondContact O-N 2.9Å |
| 62 | V | 94.3 | Very high | 90.1 | Very high | 91 Ų | 91 | 62.8 Ų | 62.8 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.9 | -45.7 | -180 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L58 A59 G65 L66 | L58-V62 HydrophobicContact CD1-CG2 4.4Å; L58-V62 HydrophobicContact CG-CG2 4.46Å; L58-V62 WeakPolarHBondContact O-CG2 3.17Å; L58-V62 PolarHBondContact O-N 2.87Å; A59-V62 PolarHBondContact O-N 3.36Å; V62-G65 PolarHBondContact O-N 2.97Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 PolarHBondContact O-N 3.08Å |
| 63 | L | 93.2 | Very high | 91 | Very high | 112 Ų | 112 | 56.2 Ų | 56.2 | 59% | 0.586 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.6 | -39.4 | 177.5 | -69.5 | 172.7 | 0 | 0 | 0 | 111.6 | A59 L66 M67 | A59-L63 WeakPolarHBondContact O-CB 2.98Å; A59-L63 VanDerWaalsContact O-CG 3.23Å; A59-L63 WeakPolarHBondContact O-CG 3.41Å; A59-L63 PolarHBondContact O-N 3.02Å; L63-L66 PolarHBondContact O-N 2.78Å; L63-M67 WeakPolarHBondContact O-CB 3.45Å; L63-M67 PolarHBondContact O-N 3.44Å |
| 64 | G | 93.1 | Very high | 91.8 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L60 L61 L66 M67 M68 | L60-G64 PolarHBondContact O-N 2.99Å; L61-G64 PolarHBondContact O-N 2.86Å; G64-L66 PolarHBondContact O-N 3.27Å; G64-M67 WeakPolarHBondContact O-CB 3.36Å; G64-M67 PolarHBondContact O-N 3.47Å; G64-M68 VanDerWaalsContact O-CG 3.27Å; G64-M68 WeakPolarHBondContact O-CG 3.34Å; G64-M68 PolarHBondContact O-N 3.17Å |
| 65 | G | 95 | Very high | 92.5 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L61 V62 M67 M68 A69 | L61-G65 PolarHBondContact O-N 2.9Å; V62-G65 PolarHBondContact O-N 2.97Å; G65-M67 VanDerWaalsContact C-N 3.3Å; G65-M67 PolarHBondContact O-N 3.28Å; G65-M68 PolarHBondContact O-N 3.48Å; G65-A69 PolarHBondContact O-N 3.1Å |
| 66 | L | 95.5 | Very high | 92.7 | Very high | 107 Ų | 107 | 51 Ų | 51 | 56% | 0.56 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 174.8 | -176.1 | 64.4 | 0 | 0 | 0 | 111.3 | V62 L63 G64 A69 T70 | V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 PolarHBondContact O-N 3.08Å; L63-L66 PolarHBondContact O-N 2.78Å; G64-L66 PolarHBondContact O-N 3.27Å; L66-A69 PolarHBondContact O-N 3.32Å; L66-T70 HydrophobicContact CD1-CG2 4.42Å; L66-T70 HydrophobicContact CG-CG2 4.47Å; L66-T70 VanDerWaalsContact O-CG2 3.32Å; L66-T70 WeakPolarHBondContact O-CG2 3.3Å; L66-T70 PolarHBondContact O-N 2.96Å; L66-T70 PolarHBondContact O-OG1 2.99Å |
| 67 | M | 94.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.9 | -167 | 68 | -169.8 | 0 | 0 | 112.6 | I24 L63 G64 G65 A69 T70 T71 L117 W121 V205 L209 | I24-M67 HydrophobicContact CD1-CB 3.99Å; I24-M67 HydrophobicContact CD1-CG 3.43Å; I24-M67 VanDerWaalsContact CD1-CG 3.43Å; I24-M67 HydrophobicContact CG1-CB 4.47Å; I24-M67 HydrophobicContact CG1-CG 3.9Å; L63-M67 WeakPolarHBondContact O-CB 3.45Å; L63-M67 PolarHBondContact O-N 3.44Å; G64-M67 WeakPolarHBondContact O-CB 3.36Å; G64-M67 PolarHBondContact O-N 3.47Å; G65-M67 VanDerWaalsContact C-N 3.3Å; G65-M67 PolarHBondContact O-N 3.28Å; M67-A69 VanDerWaalsContact C-N 3.34Å; M67-T70 WeakPolarHBondContact CA-OG1 3.36Å; M67-T70 PolarHBondContact O-OG1 2.94Å; M67-T71 HydrophobicContact CE-CG2 3.99Å; M67-T71 WeakPolarHBondContact O-CB 3.43Å; M67-T71 WeakPolarHBondContact O-CG2 3.35Å; M67-T71 PolarHBondContact O-N 3.46Å; M67-T71 PolarHBondContact O-OG1 3.27Å; M67-L117 HydrophobicContact CE-CB 4.27Å; M67-L117 HydrophobicContact CE-CD1 3.95Å; M67-L117 HydrophobicContact CE-CG 4.48Å; M67-L117 HydrophobicContact SD-CD1 3.94Å; M67-L117 HydrophobicContact SD-CD2 3.91Å; M67-L117 HydrophobicContact SD-CG 4.41Å; M67-W121 HydrophobicContact CG-CZ2 4.35Å; M67-V205 HydrophobicContact CE-CG1 4.2Å; M67-L209 HydrophobicContact CE-CD1 3.77Å; M67-L209 HydrophobicContact CE-CD2 3.68Å; M67-L209 HydrophobicContact CE-CG 4.1Å |
| 68 | M | 95.5 | Very high | 92.8 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 174.7 | -65.1 | -75.7 | -74.9 | 0 | 0 | 111.1 | W21 I24 G64 G65 T71 F72 | W21-M68 HydrophobicContact CB-CE 3.75Å; W21-M68 HydrophobicContact CB-SD 3.89Å; W21-M68 VanDerWaalsContact CD1-CE 3.49Å; W21-M68 HydrophobicContact CD2-CE 3.38Å; W21-M68 HydrophobicContact CD2-SD 4.18Å; W21-M68 HydrophobicContact CE3-CE 4.01Å; W21-M68 HydrophobicContact CG-CE 3.27Å; W21-M68 HydrophobicContact CG-SD 3.5Å; W21-M68 VanDerWaalsContact CG-SD 3.5Å; W21-M68 HydrophobicContact CZ2-CE 4.39Å; W21-M68 PolarHBondContact NE1-O 3.37Å; I24-M68 HydrophobicContact CB-SD 3.9Å; I24-M68 HydrophobicContact CD1-CG 4.28Å; I24-M68 HydrophobicContact CD1-SD 3.79Å; I24-M68 HydrophobicContact CG1-SD 4.47Å; I24-M68 HydrophobicContact CG2-CG 3.96Å; I24-M68 HydrophobicContact CG2-SD 3.94Å; G64-M68 VanDerWaalsContact O-CG 3.27Å; G64-M68 WeakPolarHBondContact O-CG 3.34Å; G64-M68 PolarHBondContact O-N 3.17Å; G65-M68 PolarHBondContact O-N 3.48Å; M68-T71 PolarHBondContact O-OG1 3.12Å; M68-F72 WeakPolarHBondContact O-CB 3.31Å; M68-F72 PolarHBondContact O-N 2.91Å |
| 69 | A | 96 | Very high | 92.6 | Very high | 59 Ų | 59 | 45.8 Ų | 45.8 | 49% | 0.488 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G65 L66 M67 F72 A73 | G65-A69 PolarHBondContact O-N 3.1Å; L66-A69 PolarHBondContact O-N 3.32Å; M67-A69 VanDerWaalsContact C-N 3.34Å; A69-F72 PolarHBondContact O-N 3.24Å; A69-A73 WeakPolarHBondContact O-CB 3.28Å; A69-A73 PolarHBondContact O-N 3.49Å |
| 70 | T | 94.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 178.2 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | L66 M67 F72 A73 M74 | L66-T70 HydrophobicContact CD1-CG2 4.42Å; L66-T70 HydrophobicContact CG-CG2 4.47Å; L66-T70 VanDerWaalsContact O-CG2 3.32Å; L66-T70 WeakPolarHBondContact O-CG2 3.3Å; L66-T70 PolarHBondContact O-N 2.96Å; L66-T70 PolarHBondContact O-OG1 2.99Å; M67-T70 WeakPolarHBondContact CA-OG1 3.36Å; M67-T70 PolarHBondContact O-OG1 2.94Å; T70-F72 VanDerWaalsContact C-N 3.33Å; T70-F72 PolarHBondContact O-N 3.47Å; T70-A73 PolarHBondContact O-N 2.76Å; T70-M74 VanDerWaalsContact O-CG 3.3Å; T70-M74 WeakPolarHBondContact O-CG 3.28Å; T70-M74 PolarHBondContact O-N 2.99Å |
| 71 | T | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | C20 W21 M67 M68 M74 C75 L209 | C20-T71 HydrophobicContact CB-CG2 4.1Å; W21-T71 PolarHBondContact NE1-OG1 3.04Å; M67-T71 HydrophobicContact CE-CG2 3.99Å; M67-T71 WeakPolarHBondContact O-CB 3.43Å; M67-T71 WeakPolarHBondContact O-CG2 3.35Å; M67-T71 PolarHBondContact O-N 3.46Å; M67-T71 PolarHBondContact O-OG1 3.27Å; M68-T71 PolarHBondContact O-OG1 3.12Å; T71-M74 WeakPolarHBondContact O-CB 3.48Å; T71-M74 PolarHBondContact O-N 3.37Å; T71-C75 PolarHBondContact O-N 3.08Å; T71-L209 HydrophobicContact CG2-CD2 4.48Å |
| 72 | F | 95.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 41 Ų | 41 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 171.4 | -175.8 | -107.2 | 0 | 0 | 0 | 112.1 | L17 W21 M68 A69 T70 M74 C75 L76 | L17-F72 HydrophobicContact CD1-CB 4.4Å; L17-F72 HydrophobicContact CD2-CD2 4.12Å; W21-F72 HydrophobicContact CH2-CD2 4.5Å; W21-F72 HydrophobicContact CZ2-CB 4.22Å; W21-F72 HydrophobicContact CZ2-CD2 4.17Å; M68-F72 WeakPolarHBondContact O-CB 3.31Å; M68-F72 PolarHBondContact O-N 2.91Å; A69-F72 PolarHBondContact O-N 3.24Å; T70-F72 VanDerWaalsContact C-N 3.33Å; T70-F72 PolarHBondContact O-N 3.47Å; F72-M74 VanDerWaalsContact C-N 3.32Å; F72-M74 PolarHBondContact O-N 2.98Å; F72-C75 WeakPolarHBondContact O-CB 3.09Å; F72-C75 PolarHBondContact O-N 2.94Å; F72-C75 VanDerWaalsContact O-N 3.14Å; F72-L76 HydrophobicContact CD1-CD1 4.02Å; F72-L76 HydrophobicContact CD1-CG 4.4Å; F72-L76 HydrophobicContact CE1-CD1 3.6Å; F72-L76 HydrophobicContact CE1-CD2 4.46Å; F72-L76 HydrophobicContact CE1-CG 4.08Å; F72-L76 HydrophobicContact CZ-CD1 4.18Å; F72-L76 HydrophobicContact CZ-CD2 4.22Å; F72-L76 HydrophobicContact CZ-CG 4.27Å; F72-L76 PolarHBondContact O-N 3.39Å |
| 73 | A | 93.7 | Very high | 90.8 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 26% | 0.256 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A69 T70 C75 L76 V77 F110 | A69-A73 WeakPolarHBondContact O-CB 3.28Å; A69-A73 PolarHBondContact O-N 3.49Å; T70-A73 PolarHBondContact O-N 2.76Å; A73-C75 VanDerWaalsContact C-N 3.34Å; A73-C75 PolarHBondContact O-N 3.48Å; A73-L76 PolarHBondContact O-N 3.08Å; A73-V77 WeakPolarHBondContact O-CG2 3.49Å; A73-V77 PolarHBondContact O-N 3.33Å; A73-F110 HydrophobicContact CB-CE1 4.07Å; A73-F110 HydrophobicContact CB-CZ 4.38Å |
| 74 | M | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 173.3 | -72.5 | 171 | -179.7 | 0 | 0 | 111.8 | T70 T71 F72 V77 G78 F110 L113 T114 L117 F212 | T70-M74 VanDerWaalsContact O-CG 3.3Å; T70-M74 WeakPolarHBondContact O-CG 3.28Å; T70-M74 PolarHBondContact O-N 2.99Å; T71-M74 WeakPolarHBondContact O-CB 3.48Å; T71-M74 PolarHBondContact O-N 3.37Å; F72-M74 VanDerWaalsContact C-N 3.32Å; F72-M74 PolarHBondContact O-N 2.98Å; M74-V77 PolarHBondContact O-N 2.76Å; M74-G78 PolarHBondContact O-N 3.38Å; M74-F110 HydrophobicContact CE-CD1 4.44Å; M74-F110 HydrophobicContact CG-CD1 3.61Å; M74-F110 HydrophobicContact CG-CE1 4.27Å; M74-L113 HydrophobicContact CE-CB 4.16Å; M74-L113 HydrophobicContact CE-CD2 3.77Å; M74-L113 HydrophobicContact CE-CG 3.72Å; M74-T114 VanDerWaalsContact CE-OG1 3.24Å; M74-T114 WeakPolarHBondContact CE-OG1 3.23Å; M74-T114 PolarHBondContact SD-OG1 3.13Å; M74-T114 VanDerWaalsContact SD-OG1 3.32Å; M74-L117 HydrophobicContact CE-CD1 3.72Å; M74-F212 HydrophobicContact CB-CD1 4.19Å; M74-F212 HydrophobicContact CB-CE1 4.23Å |
| 75 | C | 92.5 | Very high | 89.3 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 9% | 0.088 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.9 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | L17 T71 F72 A73 G78 F79 F212 | L17-C75 HydrophobicContact CB-CB 4.42Å; L17-C75 HydrophobicContact CD1-CB 4.33Å; L17-C75 HydrophobicContact CD2-CB 4.18Å; T71-C75 PolarHBondContact O-N 3.08Å; F72-C75 WeakPolarHBondContact O-CB 3.09Å; F72-C75 PolarHBondContact O-N 2.94Å; F72-C75 VanDerWaalsContact O-N 3.14Å; A73-C75 VanDerWaalsContact C-N 3.34Å; A73-C75 PolarHBondContact O-N 3.48Å; C75-G78 PolarHBondContact O-N 2.91Å; C75-F79 PolarHBondContact O-N 3.45Å; C75-F212 HydrophobicContact CB-CE1 4.1Å; C75-F212 HydrophobicContact CB-CZ 4.25Å |
| 76 | L | 90.7 | Very high | 88.4 | Confident | 68 Ų | 68 | 36.8 Ų | 36.8 | 36% | 0.356 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.4 | -69.2 | 179.8 | 0 | 0 | 0 | 111.9 | F72 A73 G78 F79 F80 | F72-L76 HydrophobicContact CD1-CD1 4.02Å; F72-L76 HydrophobicContact CD1-CG 4.4Å; F72-L76 HydrophobicContact CE1-CD1 3.6Å; F72-L76 HydrophobicContact CE1-CD2 4.46Å; F72-L76 HydrophobicContact CE1-CG 4.08Å; F72-L76 HydrophobicContact CZ-CD1 4.18Å; F72-L76 HydrophobicContact CZ-CD2 4.22Å; F72-L76 HydrophobicContact CZ-CG 4.27Å; F72-L76 PolarHBondContact O-N 3.39Å; A73-L76 PolarHBondContact O-N 3.08Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 2.87Å; L76-F79 WeakPolarHBondContact O-CB 3.34Å; L76-F79 PolarHBondContact O-N 3.34Å; L76-F80 HydrophobicContact CB-CD2 4.4Å; L76-F80 HydrophobicContact CB-CE2 4.2Å; L76-F80 WeakPolarHBondContact O-CD2 3.38Å; L76-F80 WeakPolarHBondContact O-CG 3.03Å; L76-F80 PolarHBondContact O-N 3.36Å |
| 77 | V | 89.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | A73 M74 F79 F80 A81 F110 L216 | A73-V77 WeakPolarHBondContact O-CG2 3.49Å; A73-V77 PolarHBondContact O-N 3.33Å; M74-V77 PolarHBondContact O-N 2.76Å; V77-F79 VanDerWaalsContact C-N 3.35Å; V77-F79 PolarHBondContact O-N 2.93Å; V77-F80 PolarHBondContact O-N 3.47Å; V77-A81 VanDerWaalsContact O-CB 3.23Å; V77-A81 WeakPolarHBondContact O-CB 3.28Å; V77-A81 PolarHBondContact O-N 3.13Å; V77-F110 HydrophobicContact CB-CD2 4.29Å; V77-F110 HydrophobicContact CG1-CD2 4.07Å; V77-F110 HydrophobicContact CG1-CG 4.47Å; V77-F110 HydrophobicContact CG2-CD2 3.76Å; V77-F110 HydrophobicContact CG2-CE2 3.57Å; V77-F110 HydrophobicContact CG2-CG 4.35Å; V77-F110 HydrophobicContact CG2-CZ 3.97Å; V77-L216 HydrophobicContact CG1-CD2 4.49Å |
| 78 | G | 87.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.7 | -47.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M74 C75 L76 A81 T82 | M74-G78 PolarHBondContact O-N 3.38Å; C75-G78 PolarHBondContact O-N 2.91Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 2.87Å; G78-A81 PolarHBondContact O-N 2.98Å; G78-T82 PolarHBondContact O-N 2.86Å; G78-T82 PolarHBondContact O-OG1 3.45Å |
| 79 | F | 85.1 | Confident | 84.9 | Confident | 50 Ų | 50 | 36.1 Ų | 36.1 | 22% | 0.219 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 177.1 | -178.2 | -94.8 | 0 | 0 | 0 | 112.9 | P10 C75 L76 V77 R83 | P10-F79 HydrophobicContact CG-CB 4.22Å; P10-F79 HydrophobicContact CG-CD2 3.63Å; P10-F79 HydrophobicContact CG-CG 4.41Å; C75-F79 PolarHBondContact O-N 3.45Å; L76-F79 WeakPolarHBondContact O-CB 3.34Å; L76-F79 PolarHBondContact O-N 3.34Å; V77-F79 VanDerWaalsContact C-N 3.35Å; V77-F79 PolarHBondContact O-N 2.93Å; F79-R83 VanDerWaalsContact CE1-CZ 3.47Å; F79-R83 WeakPolarHBondContact O-CG 3.39Å; F79-R83 PolarHBondContact O-N 3.05Å; F79-R83 VanDerWaalsContact O-N 3.07Å |
| 80 | F | 84.8 | Confident | 83.8 | Confident | 42 Ų | 42 | 37.4 Ų | 37.4 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 177.3 | -71.2 | -56.7 | 0 | 0 | 0 | 112.4 | L76 V77 R83 N84 L101 | L76-F80 HydrophobicContact CB-CD2 4.4Å; L76-F80 HydrophobicContact CB-CE2 4.2Å; L76-F80 WeakPolarHBondContact O-CD2 3.38Å; L76-F80 WeakPolarHBondContact O-CG 3.03Å; L76-F80 PolarHBondContact O-N 3.36Å; V77-F80 PolarHBondContact O-N 3.47Å; F80-R83 PolarHBondContact O-N 3.13Å; F80-N84 VanDerWaalsContact O-CB 3.3Å; F80-N84 WeakPolarHBondContact O-CB 3.34Å; F80-N84 PolarHBondContact O-N 3.36Å; F80-L101 HydrophobicContact CB-CB 4.33Å; F80-L101 HydrophobicContact CD2-CB 4.14Å; F80-L101 HydrophobicContact CD2-CD2 4.23Å; F80-L101 HydrophobicContact CE2-CD2 4.41Å; F80-L101 HydrophobicContact CG-CB 4.4Å |
| 81 | A | 84.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V77 G78 R83 N84 L85 N219 | V77-A81 VanDerWaalsContact O-CB 3.23Å; V77-A81 WeakPolarHBondContact O-CB 3.28Å; V77-A81 PolarHBondContact O-N 3.13Å; G78-A81 PolarHBondContact O-N 2.98Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 3.3Å; A81-N84 PolarHBondContact O-N 2.91Å; A81-L85 PolarHBondContact O-N 3.19Å; A81-N219 HydrophobicContact CB-CB 4.09Å |
| 82 | T | 84.2 | Confident | 81 | Confident | 49 Ų | 49 | 47.4 Ų | 47.4 | 30% | 0.301 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 176.7 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | G78 L85 E86 | G78-T82 PolarHBondContact O-N 2.86Å; G78-T82 PolarHBondContact O-OG1 3.45Å; T82-L85 VanDerWaalsContact O-CB 3.31Å; T82-L85 WeakPolarHBondContact O-CB 3.45Å; T82-L85 PolarHBondContact O-N 3.26Å; T82-E86 PolarHBondContact O-N 3Å; T82-E86 VanDerWaalsContact O-N 3.08Å |
| 83 | R | 76.2 | Confident | 79.3 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 177.5 | -76.7 | -169 | 168.6 | -170.9 | -1.7 | 114.1 | C3 F79 F80 A81 L85 E86 C87 | C3-R83 PolarHBondContact O-NE 3.34Å; C3-R83 PolarHBondContact O-NH1 2.95Å; C3-R83 PolarHBondContact O-NH2 2.95Å; F79-R83 VanDerWaalsContact CE1-CZ 3.47Å; F79-R83 WeakPolarHBondContact O-CG 3.39Å; F79-R83 PolarHBondContact O-N 3.05Å; F79-R83 VanDerWaalsContact O-N 3.07Å; F80-R83 PolarHBondContact O-N 3.13Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 3.3Å; R83-L85 PolarHBondContact O-N 3.41Å; R83-E86 PolarHBondContact O-N 3.35Å; R83-C87 PolarHBondContact O-N 2.83Å; R83-C87 PolarHBondContact O-SG 3.5Å |
| 84 | N | 77.2 | Confident | 77.8 | Confident | 20 Ų | 20 | 48 Ų | 48 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 174.8 | -171.5 | 38 | 0 | 0 | 0 | 110.3 | F80 A81 C87 A88 G102 | F80-N84 VanDerWaalsContact O-CB 3.3Å; F80-N84 WeakPolarHBondContact O-CB 3.34Å; F80-N84 PolarHBondContact O-N 3.36Å; A81-N84 PolarHBondContact O-N 2.91Å; N84-C87 PolarHBondContact O-N 2.81Å; N84-A88 WeakPolarHBondContact O-CB 3.49Å; N84-A88 PolarHBondContact O-N 2.8Å; N84-G102 PolarHBondContact ND2-O 2.97Å; N84-G102 VanDerWaalsContact ND2-O 3.16Å |
| 85 | L | 77.2 | Confident | 76.5 | Confident | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.131 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 175.3 | -149 | 85.6 | 0 | 0 | 0 | 112.2 | A81 T82 R83 C87 A88 Y89 H222 V223 A226 | A81-L85 PolarHBondContact O-N 3.19Å; T82-L85 VanDerWaalsContact O-CB 3.31Å; T82-L85 WeakPolarHBondContact O-CB 3.45Å; T82-L85 PolarHBondContact O-N 3.26Å; R83-L85 PolarHBondContact O-N 3.41Å; L85-C87 VanDerWaalsContact C-N 3.33Å; L85-C87 PolarHBondContact O-N 3.28Å; L85-A88 WeakPolarHBondContact O-CB 3.38Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-A88 VanDerWaalsContact O-N 3.15Å; L85-Y89 HydrophobicContact CD1-CE2 4.5Å; L85-Y89 HydrophobicContact CD2-CD2 4.43Å; L85-Y89 HydrophobicContact CD2-CE2 3.91Å; L85-Y89 HydrophobicContact CG-CD2 4.14Å; L85-Y89 HydrophobicContact CG-CE2 3.8Å; L85-Y89 VanDerWaalsContact O-CD2 3.25Å; L85-Y89 WeakPolarHBondContact O-CD2 3.33Å; L85-Y89 PolarHBondContact O-N 3.48Å; L85-Y89 VanDerWaalsContact O-N 3.07Å; L85-H222 VanDerWaalsContact CD1-C 3.46Å; L85-H222 HydrophobicContact CD1-CB 3.75Å; L85-H222 HydrophobicContact CD2-CB 3.63Å; L85-H222 HydrophobicContact CG-CB 4.33Å; L85-V223 HydrophobicContact CD1-CB 4.35Å; L85-V223 HydrophobicContact CD1-CG2 3.76Å; L85-A226 HydrophobicContact CD1-CB 3.95Å |
| 86 | E | 75.8 | Confident | 74.9 | Confident | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 177.8 | -168.9 | -175.4 | 167 | 0 | 0 | 112 | G7 T82 R83 A88 Y89 T90 | G7-E86 WeakPolarHBondContact CA-OE2 3.48Å; T82-E86 PolarHBondContact O-N 3Å; T82-E86 VanDerWaalsContact O-N 3.08Å; R83-E86 PolarHBondContact O-N 3.35Å; E86-A88 VanDerWaalsContact C-N 3.34Å; E86-A88 PolarHBondContact O-N 3.39Å; E86-Y89 PolarHBondContact O-N 3.44Å; E86-T90 WeakPolarHBondContact O-CB 3.27Å; E86-T90 WeakPolarHBondContact O-CG2 3.28Å; E86-T90 PolarHBondContact O-N 2.93Å; E86-T90 PolarHBondContact O-OG1 3.48Å |
| 87 | C | 71.8 | Confident | 73.5 | Confident | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 175.6 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | R83 N84 L85 G91 R92 | R83-C87 PolarHBondContact O-N 2.83Å; R83-C87 PolarHBondContact O-SG 3.5Å; N84-C87 PolarHBondContact O-N 2.81Å; L85-C87 VanDerWaalsContact C-N 3.33Å; L85-C87 PolarHBondContact O-N 3.28Å; C87-G91 PolarHBondContact O-N 2.96Å; C87-R92 PolarHBondContact O-N 3.49Å |
| 88 | A | 71 | Confident | 72.2 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N84 L85 E86 A226 Q230 | N84-A88 WeakPolarHBondContact O-CB 3.49Å; N84-A88 PolarHBondContact O-N 2.8Å; L85-A88 WeakPolarHBondContact O-CB 3.38Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-A88 VanDerWaalsContact O-N 3.15Å; E86-A88 VanDerWaalsContact C-N 3.34Å; E86-A88 PolarHBondContact O-N 3.39Å; A88-A226 HydrophobicContact CB-CB 4.36Å; A88-Q230 PolarHBondContact O-NE2 2.78Å |
| 89 | Y | 70.6 | Confident | 71.1 | Confident | 115 Ų | 115 | 58.3 Ų | 58.3 | 45% | 0.451 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -75.8 | -35 | 177.1 | -77 | -71.3 | 0 | 0 | 0 | 113.5 | L85 E86 G91 A226 Y229 | L85-Y89 HydrophobicContact CD1-CE2 4.5Å; L85-Y89 HydrophobicContact CD2-CD2 4.43Å; L85-Y89 HydrophobicContact CD2-CE2 3.91Å; L85-Y89 HydrophobicContact CG-CD2 4.14Å; L85-Y89 HydrophobicContact CG-CE2 3.8Å; L85-Y89 VanDerWaalsContact O-CD2 3.25Å; L85-Y89 WeakPolarHBondContact O-CD2 3.33Å; L85-Y89 PolarHBondContact O-N 3.48Å; L85-Y89 VanDerWaalsContact O-N 3.07Å; E86-Y89 PolarHBondContact O-N 3.44Å; Y89-G91 VanDerWaalsContact C-N 3.34Å; Y89-A226 HydrophobicContact CE2-CB 3.97Å; Y89-Y229 HydrophobicContact CD1-CD1 4.43Å; Y89-Y229 HydrophobicContact CE1-CD1 4.29Å |
| 90 | T | 71.5 | Confident | 70.2 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -84.9 | -5.8 | -179 | 54.8 | 0 | 0 | 0 | 0 | 114 | E86 R92 | E86-T90 WeakPolarHBondContact O-CB 3.27Å; E86-T90 WeakPolarHBondContact O-CG2 3.28Å; E86-T90 PolarHBondContact O-N 2.93Å; E86-T90 PolarHBondContact O-OG1 3.48Å; T90-R92 PolarHBondContact O-N 3.44Å |
| 91 | G | 66 | Low | 69.4 | Low | 64 Ų | 64 | 66.4 Ų | 66.4 | 66% | 0.66 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 14.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C87 Y89 | C87-G91 PolarHBondContact O-N 2.96Å; Y89-G91 VanDerWaalsContact C-N 3.34Å |
| 92 | R | 64.9 | Low | 68.6 | Low | 177 Ų | 177 | 66.4 Ų | 66.4 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 143.5 | 176.6 | -72.9 | -168.8 | -171.4 | -173.3 | 4.4 | 110.7 | C87 T90 S94 | C87-R92 PolarHBondContact O-N 3.49Å; T90-R92 PolarHBondContact O-N 3.44Å; R92-S94 PolarHBondContact O-N 3.47Å; R92-S94 VanDerWaalsContact O-N 3.09Å |
| 93 | P | 59.9 | Low | 68.1 | Low | 111 Ų | 111 | 64.1 Ų | 64.1 | 72% | 0.721 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 117 | 174.8 | 24 | -31.8 | 0 | 0 | 0 | 109.7 | ||
| 94 | S | 60.7 | Low | 68.2 | Low | 29 Ų | 29 | 66 Ų | 66 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 140.6 | 175.5 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | R92 | R92-S94 PolarHBondContact O-N 3.47Å; R92-S94 VanDerWaalsContact O-N 3.09Å |
| 95 | S | 64.6 | Low | 68.6 | Low | 62 Ų | 62 | 68.2 Ų | 68.2 | 43% | 0.434 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 140.1 | 172 | -65.1 | 0 | 0 | 0 | 0 | 109.4 | L97 C98 S99 | S95-L97 PolarHBondContact O-N 3.3Å; S95-C98 WeakPolarHBondContact O-CB 3.25Å; S95-C98 PolarHBondContact O-N 2.94Å; S95-S99 PolarHBondContact O-N 3.37Å; S95-S99 VanDerWaalsContact O-N 3.16Å |
| 96 | C | 59.5 | Low | 69 | Low | 97 Ų | 97 | 67.9 Ų | 67.9 | 66% | 0.655 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -52.5 | -34.5 | -175.3 | -163.3 | 0 | 0 | 0 | 0 | 112.6 | S99 R100 | C96-S99 PolarHBondContact O-N 3.01Å; C96-R100 PolarHBondContact O-N 2.99Å |
| 97 | L | 62 | Low | 69.6 | Low | 111 Ų | 111 | 64 Ų | 64 | 58% | 0.581 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 176.3 | -140.8 | 78.2 | 0 | 0 | 0 | 113.3 | S95 S99 R100 L101 | S95-L97 PolarHBondContact O-N 3.3Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.44Å; L97-R100 PolarHBondContact O-N 2.86Å; L97-L101 HydrophobicContact CG-CD1 4.01Å; L97-L101 PolarHBondContact O-N 2.82Å |
| 98 | C | 62.1 | Low | 70.4 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | S95 G102 | S95-C98 WeakPolarHBondContact O-CB 3.25Å; S95-C98 PolarHBondContact O-N 2.94Å; C98-G102 WeakPolarHBondContact O-CA 3.4Å; C98-G102 PolarHBondContact O-N 2.96Å |
| 99 | S | 63 | Low | 71.5 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 16% | 0.161 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.3 | -37.7 | 177.8 | -158.9 | 0 | 0 | 0 | 0 | 112 | S95 C96 L97 G103 | S95-S99 PolarHBondContact O-N 3.37Å; S95-S99 VanDerWaalsContact O-N 3.16Å; C96-S99 PolarHBondContact O-N 3.01Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.44Å; S99-G103 PolarHBondContact O-N 3.25Å |
| 100 | R | 68 | Low | 72.5 | Confident | 197 Ų | 197 | 66 Ų | 66 | 74% | 0.743 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72 | -55.1 | 176.1 | -94.1 | -178.3 | 160.6 | 170.1 | -5 | 113.1 | C96 L97 G103 | C96-R100 PolarHBondContact O-N 2.99Å; L97-R100 PolarHBondContact O-N 2.86Å; R100-G103 PolarHBondContact O-N 3.35Å |
| 101 | L | 67.4 | Low | 73.4 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -79 | -28.4 | -176.5 | -82.4 | 98 | 0 | 0 | 0 | 113.5 | F80 L97 G103 A106 | F80-L101 HydrophobicContact CB-CB 4.33Å; F80-L101 HydrophobicContact CD2-CB 4.14Å; F80-L101 HydrophobicContact CD2-CD2 4.23Å; F80-L101 HydrophobicContact CE2-CD2 4.41Å; F80-L101 HydrophobicContact CG-CB 4.4Å; L97-L101 HydrophobicContact CG-CD1 4.01Å; L97-L101 PolarHBondContact O-N 2.82Å; L101-G103 PolarHBondContact O-N 2.97Å; L101-A106 VanDerWaalsContact O-CB 3.26Å; L101-A106 WeakPolarHBondContact O-CB 2.94Å |
| 102 | G | 67.1 | Low | 74.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 13.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N84 C98 | N84-G102 PolarHBondContact ND2-O 2.97Å; N84-G102 VanDerWaalsContact ND2-O 3.16Å; C98-G102 WeakPolarHBondContact O-CA 3.4Å; C98-G102 PolarHBondContact O-N 2.96Å |
| 103 | G | 73.4 | Confident | 76.2 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -72.8 | 160.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S99 R100 L101 V105 A106 C107 | S99-G103 PolarHBondContact O-N 3.25Å; R100-G103 PolarHBondContact O-N 3.35Å; L101-G103 PolarHBondContact O-N 2.97Å; G103-V105 VanDerWaalsContact C-N 3.32Å; G103-V105 PolarHBondContact O-N 3.23Å; G103-A106 PolarHBondContact O-N 2.89Å; G103-C107 PolarHBondContact O-N 3.42Å; G103-C107 VanDerWaalsContact O-N 3.1Å |
| 104 | R | 79.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 57 Ų | 57 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | -178 | -171.5 | 173.9 | 179.2 | -159.3 | -7.4 | 113.1 | A108 F220 V223 | R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 2.9Å; R104-F220 HydrophobicContact CG-CD2 3.76Å; R104-F220 HydrophobicContact CG-CE2 3.42Å; R104-F220 VanDerWaalsContact CG-CE2 3.42Å; R104-F220 HydrophobicContact CG-CZ 4.32Å; R104-V223 HydrophobicContact CB-CG1 4.18Å |
| 105 | V | 83.9 | Confident | 79.4 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | G103 A108 L109 N264 | G103-V105 VanDerWaalsContact C-N 3.32Å; G103-V105 PolarHBondContact O-N 3.23Å; V105-A108 PolarHBondContact O-N 3.47Å; V105-L109 HydrophobicContact CG1-CD1 3.92Å; V105-L109 HydrophobicContact CG1-CG 4.25Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.46Å; V105-L109 PolarHBondContact O-N 2.89Å; V105-N264 HydrophobicContact CG2-CB 3.65Å; V105-N264 WeakPolarHBondContact CG2-ND2 3.45Å |
| 106 | A | 87.2 | Confident | 80.9 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L101 G103 A108 L109 F110 | L101-A106 VanDerWaalsContact O-CB 3.26Å; L101-A106 WeakPolarHBondContact O-CB 2.94Å; G103-A106 PolarHBondContact O-N 2.89Å; A106-A108 VanDerWaalsContact C-N 3.31Å; A106-A108 PolarHBondContact O-N 3.05Å; A106-L109 PolarHBondContact O-N 3.27Å; A106-F110 WeakPolarHBondContact O-CD2 3.42Å; A106-F110 PolarHBondContact O-N 3.48Å |
| 107 | C | 87.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 175.3 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | G103 W111 F220 | G103-C107 PolarHBondContact O-N 3.42Å; G103-C107 VanDerWaalsContact O-N 3.1Å; C107-W111 WeakPolarHBondContact O-CB 3.4Å; C107-W111 PolarHBondContact O-N 3.38Å; C107-F220 HydrophobicContact CB-CB 4.39Å |
| 108 | A | 89.4 | Confident | 84.1 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R104 V105 A106 W111 V112 F220 | R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 2.9Å; V105-A108 PolarHBondContact O-N 3.47Å; A106-A108 VanDerWaalsContact C-N 3.31Å; A106-A108 PolarHBondContact O-N 3.05Å; A108-W111 WeakPolarHBondContact O-CB 3.38Å; A108-W111 PolarHBondContact O-N 3.43Å; A108-V112 WeakPolarHBondContact O-CG2 3.46Å; A108-V112 PolarHBondContact O-N 2.81Å; A108-F220 HydrophobicContact CB-CD2 4.13Å; A108-F220 HydrophobicContact CB-CE2 3.86Å |
| 109 | L | 92.5 | Very high | 85.7 | Confident | 115 Ų | 115 | 60 Ų | 60 | 60% | 0.602 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63 | -47.3 | 178.6 | -72.2 | 172.5 | 0 | 0 | 0 | 111.6 | V105 A106 W111 V112 L113 | V105-L109 HydrophobicContact CG1-CD1 3.92Å; V105-L109 HydrophobicContact CG1-CG 4.25Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.46Å; V105-L109 PolarHBondContact O-N 2.89Å; A106-L109 PolarHBondContact O-N 3.27Å; L109-W111 VanDerWaalsContact C-N 3.3Å; L109-W111 PolarHBondContact O-N 2.98Å; L109-V112 PolarHBondContact O-N 3.39Å; L109-L113 WeakPolarHBondContact O-CB 3.32Å; L109-L113 PolarHBondContact O-N 3.27Å |
| 110 | F | 92.7 | Very high | 87.3 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.1 | -29.9 | 177.2 | -81.8 | -82.4 | 0 | 0 | 0 | 112.5 | A73 M74 V77 A106 L113 T114 L216 | A73-F110 HydrophobicContact CB-CE1 4.07Å; A73-F110 HydrophobicContact CB-CZ 4.38Å; M74-F110 HydrophobicContact CE-CD1 4.44Å; M74-F110 HydrophobicContact CG-CD1 3.61Å; M74-F110 HydrophobicContact CG-CE1 4.27Å; V77-F110 HydrophobicContact CB-CD2 4.29Å; V77-F110 HydrophobicContact CG1-CD2 4.07Å; V77-F110 HydrophobicContact CG1-CG 4.47Å; V77-F110 HydrophobicContact CG2-CD2 3.76Å; V77-F110 HydrophobicContact CG2-CE2 3.57Å; V77-F110 HydrophobicContact CG2-CG 4.35Å; V77-F110 HydrophobicContact CG2-CZ 3.97Å; A106-F110 WeakPolarHBondContact O-CD2 3.42Å; A106-F110 PolarHBondContact O-N 3.48Å; F110-L113 HydrophobicContact CD1-CD2 4.2Å; F110-L113 HydrophobicContact CE1-CD2 4.37Å; F110-L113 PolarHBondContact O-N 3.07Å; F110-T114 WeakPolarHBondContact O-CB 3.45Å; F110-T114 PolarHBondContact O-N 3.44Å; F110-T114 PolarHBondContact O-OG1 3.41Å; F110-L216 HydrophobicContact CB-CD1 4.2Å; F110-L216 HydrophobicContact CB-CD2 4.47Å |
| 111 | W | 91.2 | Very high | 88.6 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 36% | 0.356 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 173.1 | -175.7 | 43.9 | 0 | 0 | 0 | 111.4 | C107 A108 L109 L113 T114 Y115 N213 L216 A217 | C107-W111 WeakPolarHBondContact O-CB 3.4Å; C107-W111 PolarHBondContact O-N 3.38Å; A108-W111 WeakPolarHBondContact O-CB 3.38Å; A108-W111 PolarHBondContact O-N 3.43Å; L109-W111 VanDerWaalsContact C-N 3.3Å; L109-W111 PolarHBondContact O-N 2.98Å; W111-L113 VanDerWaalsContact C-N 3.35Å; W111-L113 PolarHBondContact O-N 3.03Å; W111-T114 PolarHBondContact O-N 3.34Å; W111-Y115 PolarHBondContact O-N 2.95Å; W111-N213 PolarHBondContact NE1-OD1 3.03Å; W111-L216 HydrophobicContact CB-CB 4.26Å; W111-A217 HydrophobicContact CZ2-CB 4.44Å |
| 112 | V | 93.7 | Very high | 90 | Very high | 87 Ų | 87 | 55.1 Ų | 55.1 | 53% | 0.527 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | A108 L109 T114 Y115 V116 | A108-V112 WeakPolarHBondContact O-CG2 3.46Å; A108-V112 PolarHBondContact O-N 2.81Å; L109-V112 PolarHBondContact O-N 3.39Å; V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 PolarHBondContact O-N 2.92Å; V112-Y115 WeakPolarHBondContact O-CB 3.39Å; V112-Y115 PolarHBondContact O-N 3.2Å; V112-Y115 VanDerWaalsContact O-N 3.17Å; V112-V116 WeakPolarHBondContact O-CG2 3.11Å; V112-V116 PolarHBondContact O-N 2.99Å |
| 113 | L | 94.5 | Very high | 91.3 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 177 | -178.9 | 62.8 | 0 | 0 | 0 | 112 | M74 L109 F110 W111 Y115 V116 L117 | M74-L113 HydrophobicContact CE-CB 4.16Å; M74-L113 HydrophobicContact CE-CD2 3.77Å; M74-L113 HydrophobicContact CE-CG 3.72Å; L109-L113 WeakPolarHBondContact O-CB 3.32Å; L109-L113 PolarHBondContact O-N 3.27Å; F110-L113 HydrophobicContact CD1-CD2 4.2Å; F110-L113 HydrophobicContact CE1-CD2 4.37Å; F110-L113 PolarHBondContact O-N 3.07Å; W111-L113 VanDerWaalsContact C-N 3.35Å; W111-L113 PolarHBondContact O-N 3.03Å; L113-Y115 VanDerWaalsContact C-N 3.28Å; L113-Y115 PolarHBondContact O-N 3.03Å; L113-V116 PolarHBondContact O-N 3.24Å; L113-L117 HydrophobicContact CG-CD1 4.29Å; L113-L117 WeakPolarHBondContact O-CG 3.5Å; L113-L117 PolarHBondContact O-N 3.14Å |
| 114 | T | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 177 | -54.3 | 0 | 0 | 0 | 0 | 111 | M74 F110 W111 V112 L117 N118 L209 F212 N213 L216 | M74-T114 VanDerWaalsContact CE-OG1 3.24Å; M74-T114 WeakPolarHBondContact CE-OG1 3.23Å; M74-T114 PolarHBondContact SD-OG1 3.13Å; M74-T114 VanDerWaalsContact SD-OG1 3.32Å; F110-T114 WeakPolarHBondContact O-CB 3.45Å; F110-T114 PolarHBondContact O-N 3.44Å; F110-T114 PolarHBondContact O-OG1 3.41Å; W111-T114 PolarHBondContact O-N 3.34Å; V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 PolarHBondContact O-N 2.92Å; T114-L117 PolarHBondContact O-N 3.37Å; T114-N118 WeakPolarHBondContact O-CB 3.44Å; T114-N118 PolarHBondContact O-N 2.86Å; T114-L209 HydrophobicContact CG2-CB 4.39Å; T114-L209 HydrophobicContact CG2-CD2 4.09Å; T114-L209 VanDerWaalsContact CG2-O 3.32Å; T114-L209 WeakPolarHBondContact CG2-O 3.38Å; T114-F212 HydrophobicContact CG2-CB 3.98Å; T114-N213 HydrophobicContact CG2-CB 4.22Å; T114-L216 WeakPolarHBondContact OG1-CD1 3.05Å |
| 115 | Y | 94.2 | Very high | 93 | Very high | 139 Ų | 139 | 57.3 Ų | 57.3 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 177.6 | -161.2 | -97.6 | 0 | 0 | 0 | 112.3 | W111 V112 L113 L117 N118 I119 | W111-Y115 PolarHBondContact O-N 2.95Å; V112-Y115 WeakPolarHBondContact O-CB 3.39Å; V112-Y115 PolarHBondContact O-N 3.2Å; V112-Y115 VanDerWaalsContact O-N 3.17Å; L113-Y115 VanDerWaalsContact C-N 3.28Å; L113-Y115 PolarHBondContact O-N 3.03Å; Y115-L117 PolarHBondContact O-N 2.99Å; Y115-N118 WeakPolarHBondContact O-CB 3.49Å; Y115-N118 PolarHBondContact O-N 3.32Å; Y115-I119 HydrophobicContact CD1-CD1 3.88Å; Y115-I119 HydrophobicContact CE1-CD1 3.76Å; Y115-I119 HydrophobicContact CE1-CG1 4.44Å; Y115-I119 WeakPolarHBondContact O-CG1 3.31Å; Y115-I119 PolarHBondContact O-N 3.29Å; Y115-I119 VanDerWaalsContact O-N 3.09Å |
| 116 | V | 95.4 | Very high | 93.6 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111 | V112 L113 N118 I119 C120 | V112-V116 WeakPolarHBondContact O-CG2 3.11Å; V112-V116 PolarHBondContact O-N 2.99Å; L113-V116 PolarHBondContact O-N 3.24Å; V116-N118 VanDerWaalsContact C-N 3.3Å; V116-N118 PolarHBondContact O-N 2.89Å; V116-I119 PolarHBondContact O-N 3.42Å; V116-C120 PolarHBondContact O-N 2.94Å; V116-C120 PolarHBondContact O-SG 3.39Å; V116-C120 VanDerWaalsContact O-SG 3.38Å |
| 117 | L | 94.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 62.1 Ų | 62.1 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.7 | -70.1 | 173.6 | 0 | 0 | 0 | 111.7 | M67 M74 L113 T114 Y115 I119 C120 W121 L209 | M67-L117 HydrophobicContact CE-CB 4.27Å; M67-L117 HydrophobicContact CE-CD1 3.95Å; M67-L117 HydrophobicContact CE-CG 4.48Å; M67-L117 HydrophobicContact SD-CD1 3.94Å; M67-L117 HydrophobicContact SD-CD2 3.91Å; M67-L117 HydrophobicContact SD-CG 4.41Å; M74-L117 HydrophobicContact CE-CD1 3.72Å; L113-L117 HydrophobicContact CG-CD1 4.29Å; L113-L117 WeakPolarHBondContact O-CG 3.5Å; L113-L117 PolarHBondContact O-N 3.14Å; T114-L117 PolarHBondContact O-N 3.37Å; Y115-L117 PolarHBondContact O-N 2.99Å; L117-I119 VanDerWaalsContact C-N 3.33Å; L117-I119 PolarHBondContact O-N 2.9Å; L117-C120 PolarHBondContact O-N 3.06Å; L117-W121 VanDerWaalsContact O-CD1 3.25Å; L117-W121 PolarHBondContact O-N 3.16Å; L117-L209 HydrophobicContact CB-CD1 4.16Å; L117-L209 HydrophobicContact CB-CD2 4.44Å |
| 118 | N | 95.2 | Very high | 94.2 | Very high | 26 Ų | 26 | 62.6 Ų | 62.6 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 177.3 | -155.6 | -25 | 0 | 0 | 0 | 111.1 | T114 Y115 V116 C120 W121 L122 L206 S210 | T114-N118 WeakPolarHBondContact O-CB 3.44Å; T114-N118 PolarHBondContact O-N 2.86Å; Y115-N118 WeakPolarHBondContact O-CB 3.49Å; Y115-N118 PolarHBondContact O-N 3.32Å; V116-N118 VanDerWaalsContact C-N 3.3Å; V116-N118 PolarHBondContact O-N 2.89Å; N118-C120 PolarHBondContact O-N 3.32Å; N118-W121 PolarHBondContact O-N 3Å; N118-L122 WeakPolarHBondContact O-CB 3.38Å; N118-L122 PolarHBondContact O-N 3.31Å; N118-L206 WeakPolarHBondContact OD1-CD2 3.26Å; N118-S210 PolarHBondContact ND2-OG 3.25Å |
| 119 | I | 95.6 | Very high | 94.5 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.7 | -65.3 | 169.9 | 0 | 0 | 0 | 111.4 | Y115 V116 L117 W121 L122 G123 | Y115-I119 HydrophobicContact CD1-CD1 3.88Å; Y115-I119 HydrophobicContact CE1-CD1 3.76Å; Y115-I119 HydrophobicContact CE1-CG1 4.44Å; Y115-I119 WeakPolarHBondContact O-CG1 3.31Å; Y115-I119 PolarHBondContact O-N 3.29Å; Y115-I119 VanDerWaalsContact O-N 3.09Å; V116-I119 PolarHBondContact O-N 3.42Å; L117-I119 VanDerWaalsContact C-N 3.33Å; L117-I119 PolarHBondContact O-N 2.9Å; I119-W121 PolarHBondContact O-N 2.92Å; I119-L122 WeakPolarHBondContact O-CB 3.42Å; I119-L122 PolarHBondContact O-N 3.18Å; I119-G123 PolarHBondContact O-N 3.02Å |
| 120 | C | 95.4 | Very high | 94.5 | Very high | 69 Ų | 69 | 63.8 Ų | 63.8 | 47% | 0.466 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 177.5 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | V116 L117 N118 L122 G123 I124 | V116-C120 PolarHBondContact O-N 2.94Å; V116-C120 PolarHBondContact O-SG 3.39Å; V116-C120 VanDerWaalsContact O-SG 3.38Å; L117-C120 PolarHBondContact O-N 3.06Å; N118-C120 PolarHBondContact O-N 3.32Å; C120-L122 VanDerWaalsContact C-N 3.31Å; C120-L122 PolarHBondContact O-N 3.39Å; C120-G123 PolarHBondContact O-N 3.21Å; C120-I124 WeakPolarHBondContact O-CG1 3.37Å; C120-I124 PolarHBondContact O-N 2.91Å |
| 121 | W | 95.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.4 | -30.9 | 177.1 | -83.4 | 92.1 | 0 | 0 | 0 | 112.7 | I24 F27 M67 L117 N118 I119 G123 I124 L125 C202 V205 L206 L209 | I24-W121 HydrophobicContact CG1-CZ2 4.19Å; F27-W121 HydrophobicContact CB-CH2 4.28Å; F27-W121 HydrophobicContact CB-CZ3 4.42Å; F27-W121 AromaticContact CD1-CH2 3.76Å; F27-W121 HydrophobicContact CD1-CH2 3.76Å; F27-W121 HydrophobicContact CD1-CZ3 4.06Å; F27-W121 HydrophobicContact CD2-CZ3 4.43Å; F27-W121 HydrophobicContact CE1-CH2 4.35Å; F27-W121 HydrophobicContact CE1-CZ3 4.49Å; F27-W121 HydrophobicContact CG-CH2 4.05Å; F27-W121 HydrophobicContact CG-CZ3 4.03Å; M67-W121 HydrophobicContact CG-CZ2 4.35Å; L117-W121 VanDerWaalsContact O-CD1 3.25Å; L117-W121 PolarHBondContact O-N 3.16Å; N118-W121 PolarHBondContact O-N 3Å; I119-W121 PolarHBondContact O-N 2.92Å; W121-G123 VanDerWaalsContact C-N 3.33Å; W121-I124 HydrophobicContact CD2-CD1 4.38Å; W121-I124 HydrophobicContact CE3-CD1 4.45Å; W121-I124 PolarHBondContact O-N 3.42Å; W121-L125 PolarHBondContact O-N 3.48Å; W121-C202 HydrophobicContact CE3-CB 4.37Å; W121-C202 HydrophobicContact CZ3-CB 4.29Å; W121-V205 HydrophobicContact CD2-CB 4.03Å; W121-V205 HydrophobicContact CD2-CG1 3.58Å; W121-V205 VanDerWaalsContact CE2-CG1 3.47Å; W121-V205 HydrophobicContact CE3-CB 3.92Å; W121-V205 HydrophobicContact CE3-CG1 4.02Å; W121-V205 HydrophobicContact CE3-CG2 4.35Å; W121-V205 HydrophobicContact CG-CG1 3.99Å; W121-V205 HydrophobicContact CH2-CB 4.18Å; W121-V205 HydrophobicContact CH2-CG1 4.22Å; W121-V205 HydrophobicContact CH2-CG2 3.75Å; W121-V205 HydrophobicContact CZ2-CB 4.28Å; W121-V205 HydrophobicContact CZ2-CG1 3.81Å; W121-V205 HydrophobicContact CZ2-CG2 4.07Å; W121-V205 HydrophobicContact CZ3-CB 4Å; W121-V205 HydrophobicContact CZ3-CG1 4.32Å; W121-V205 HydrophobicContact CZ3-CG2 3.91Å; W121-L206 HydrophobicContact CB-CD2 3.61Å; W121-L206 HydrophobicContact CB-CG 4.16Å; W121-L209 HydrophobicContact CG-CD1 4.21Å |
| 122 | L | 95.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 60.9 Ų | 60.9 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 171.7 | -148.3 | 91.8 | 0 | 0 | 0 | 111.2 | N118 I119 C120 L125 C126 L206 | N118-L122 WeakPolarHBondContact O-CB 3.38Å; N118-L122 PolarHBondContact O-N 3.31Å; I119-L122 WeakPolarHBondContact O-CB 3.42Å; I119-L122 PolarHBondContact O-N 3.18Å; C120-L122 VanDerWaalsContact C-N 3.31Å; C120-L122 PolarHBondContact O-N 3.39Å; L122-L125 WeakPolarHBondContact O-CB 3.17Å; L122-L125 PolarHBondContact O-N 2.96Å; L122-C126 PolarHBondContact O-N 2.91Å; L122-C126 PolarHBondContact O-SG 3.23Å; L122-C126 VanDerWaalsContact O-SG 3.33Å; L122-L206 HydrophobicContact CD1-CD1 4.46Å; L122-L206 HydrophobicContact CD1-CD2 4.26Å |
| 123 | G | 95.2 | Very high | 94.2 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | I119 C120 W121 C126 I127 | I119-G123 PolarHBondContact O-N 3.02Å; C120-G123 PolarHBondContact O-N 3.21Å; W121-G123 VanDerWaalsContact C-N 3.33Å; G123-C126 WeakPolarHBondContact O-CB 3.47Å; G123-C126 PolarHBondContact O-N 3.01Å; G123-I127 WeakPolarHBondContact O-CG1 3.3Å; G123-I127 PolarHBondContact O-N 3.24Å; G123-I127 VanDerWaalsContact O-N 3.14Å |
| 124 | I | 93.9 | Very high | 93.8 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 28% | 0.282 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 174.4 | -65 | 169.5 | 0 | 0 | 0 | 110.6 | F27 C120 W121 C126 I127 I128 | F27-I124 HydrophobicContact CE2-CG2 3.96Å; F27-I124 HydrophobicContact CZ-CG2 3.68Å; C120-I124 WeakPolarHBondContact O-CG1 3.37Å; C120-I124 PolarHBondContact O-N 2.91Å; W121-I124 HydrophobicContact CD2-CD1 4.38Å; W121-I124 HydrophobicContact CE3-CD1 4.45Å; W121-I124 PolarHBondContact O-N 3.42Å; I124-C126 VanDerWaalsContact C-N 3.31Å; I124-C126 PolarHBondContact O-N 3.01Å; I124-I127 PolarHBondContact O-N 3.24Å; I124-I127 VanDerWaalsContact O-N 3.14Å; I124-I128 HydrophobicContact CG2-CD1 3.93Å; I124-I128 HydrophobicContact CG2-CG1 4.36Å; I124-I128 WeakPolarHBondContact O-CG1 3.35Å; I124-I128 PolarHBondContact O-N 2.96Å |
| 125 | L | 95.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.4 | -46.2 | 175.9 | -178.7 | 68.2 | 0 | 0 | 0 | 111.3 | W121 L122 I127 I128 V129 L199 C202 L203 L206 | W121-L125 PolarHBondContact O-N 3.48Å; L122-L125 WeakPolarHBondContact O-CB 3.17Å; L122-L125 PolarHBondContact O-N 2.96Å; L125-I127 VanDerWaalsContact C-N 3.31Å; L125-I127 PolarHBondContact O-N 3.5Å; L125-I128 PolarHBondContact O-N 3.28Å; L125-V129 WeakPolarHBondContact O-CG2 3.36Å; L125-V129 PolarHBondContact O-N 3.36Å; L125-L199 HydrophobicContact CD1-CD1 3.49Å; L125-L199 VanDerWaalsContact CD1-CD1 3.49Å; L125-C202 HydrophobicContact CD1-CB 4.43Å; L125-L203 HydrophobicContact CD1-CD2 4.17Å; L125-L203 HydrophobicContact CD1-CG 4.46Å; L125-L203 HydrophobicContact CD2-CD2 4.33Å; L125-L206 HydrophobicContact CB-CD1 4.22Å; L125-L206 HydrophobicContact CD2-CD1 3.73Å; L125-L206 HydrophobicContact CG-CD1 4.43Å |
| 126 | C | 96.4 | Very high | 93.1 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.9 | -43.7 | 176.7 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | L122 G123 I124 V129 V130 | L122-C126 PolarHBondContact O-N 2.91Å; L122-C126 PolarHBondContact O-SG 3.23Å; L122-C126 VanDerWaalsContact O-SG 3.33Å; G123-C126 WeakPolarHBondContact O-CB 3.47Å; G123-C126 PolarHBondContact O-N 3.01Å; I124-C126 VanDerWaalsContact C-N 3.31Å; I124-C126 PolarHBondContact O-N 3.01Å; C126-V129 PolarHBondContact O-N 3.33Å; C126-V130 WeakPolarHBondContact O-CG2 3.42Å; C126-V130 PolarHBondContact O-N 3.29Å |
| 127 | I | 93.2 | Very high | 92.5 | Very high | 110 Ų | 110 | 58.2 Ų | 58.2 | 56% | 0.564 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 177.1 | -64.2 | 166.5 | 0 | 0 | 0 | 110.7 | G123 I124 L125 V129 V130 L131 | G123-I127 WeakPolarHBondContact O-CG1 3.3Å; G123-I127 PolarHBondContact O-N 3.24Å; G123-I127 VanDerWaalsContact O-N 3.14Å; I124-I127 PolarHBondContact O-N 3.24Å; I124-I127 VanDerWaalsContact O-N 3.14Å; L125-I127 VanDerWaalsContact C-N 3.31Å; L125-I127 PolarHBondContact O-N 3.5Å; I127-V129 VanDerWaalsContact C-N 3.33Å; I127-V129 PolarHBondContact O-N 3Å; I127-V130 PolarHBondContact O-N 3.38Å; I127-L131 HydrophobicContact CG2-CD1 4.25Å; I127-L131 WeakPolarHBondContact O-CG 3.3Å; I127-L131 PolarHBondContact O-N 2.96Å |
| 128 | I | 93.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 177.9 | -63.6 | 166.5 | 0 | 0 | 0 | 110.8 | F27 I124 L125 V130 L131 I132 L199 C202 | F27-I128 HydrophobicContact CD2-CD1 4.18Å; F27-I128 HydrophobicContact CE2-CD1 3.61Å; F27-I128 HydrophobicContact CE2-CG1 4.36Å; I124-I128 HydrophobicContact CG2-CD1 3.93Å; I124-I128 HydrophobicContact CG2-CG1 4.36Å; I124-I128 WeakPolarHBondContact O-CG1 3.35Å; I124-I128 PolarHBondContact O-N 2.96Å; L125-I128 PolarHBondContact O-N 3.28Å; I128-V130 VanDerWaalsContact C-N 3.3Å; I128-V130 PolarHBondContact O-N 2.9Å; I128-L131 PolarHBondContact O-N 2.84Å; I128-L131 VanDerWaalsContact O-N 3.13Å; I128-I132 HydrophobicContact CG2-CD1 3.79Å; I128-I132 HydrophobicContact CG2-CG1 4.29Å; I128-I132 WeakPolarHBondContact O-CG1 3.4Å; I128-I132 PolarHBondContact O-N 3.44Å; I128-L199 HydrophobicContact CG2-CB 4.12Å; I128-L199 HydrophobicContact CG2-CD1 4.17Å; I128-C202 HydrophobicContact CD1-CB 3.76Å |
| 129 | V | 95 | Very high | 90.9 | Very high | 75 Ų | 75 | 60 Ų | 60 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 178.2 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | L125 C126 I127 I132 S133 L199 | L125-V129 WeakPolarHBondContact O-CG2 3.36Å; L125-V129 PolarHBondContact O-N 3.36Å; C126-V129 PolarHBondContact O-N 3.33Å; I127-V129 VanDerWaalsContact C-N 3.33Å; I127-V129 PolarHBondContact O-N 3Å; V129-I132 PolarHBondContact O-N 3.41Å; V129-S133 WeakPolarHBondContact O-CB 3.33Å; V129-S133 PolarHBondContact O-N 3.23Å; V129-S133 PolarHBondContact O-OG 3.47Å; V129-L199 HydrophobicContact CG2-CD1 4.31Å |
| 130 | V | 92.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | 174.3 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | C126 I127 I128 S133 A134 | C126-V130 WeakPolarHBondContact O-CG2 3.42Å; C126-V130 PolarHBondContact O-N 3.29Å; I127-V130 PolarHBondContact O-N 3.38Å; I128-V130 VanDerWaalsContact C-N 3.3Å; I128-V130 PolarHBondContact O-N 2.9Å; V130-S133 WeakPolarHBondContact CA-OG 3.36Å; V130-S133 PolarHBondContact O-N 3.14Å; V130-S133 PolarHBondContact O-OG 2.95Å; V130-A134 WeakPolarHBondContact O-CB 3.35Å; V130-A134 PolarHBondContact O-N 3.26Å |
| 131 | L | 90.1 | Very high | 88.8 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 37% | 0.372 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 176.1 | -68 | 172.7 | 0 | 0 | 0 | 112 | I127 I128 N135 Y195 | I127-L131 HydrophobicContact CG2-CD1 4.25Å; I127-L131 WeakPolarHBondContact O-CG 3.3Å; I127-L131 PolarHBondContact O-N 2.96Å; I128-L131 PolarHBondContact O-N 2.84Å; I128-L131 VanDerWaalsContact O-N 3.13Å; L131-N135 WeakPolarHBondContact O-CB 3.45Å; L131-N135 PolarHBondContact O-N 2.99Å; L131-Y195 HydrophobicContact CB-CD1 4.23Å; L131-Y195 HydrophobicContact CB-CE1 4.01Å; L131-Y195 HydrophobicContact CD1-CE1 3.96Å; L131-Y195 HydrophobicContact CG-CE1 4.48Å |
| 132 | I | 91.9 | Very high | 87.6 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.3 | -69.2 | 171 | 0 | 0 | 0 | 110.3 | I128 V129 A134 N135 L136 W196 L199 | I128-I132 HydrophobicContact CG2-CD1 3.79Å; I128-I132 HydrophobicContact CG2-CG1 4.29Å; I128-I132 WeakPolarHBondContact O-CG1 3.4Å; I128-I132 PolarHBondContact O-N 3.44Å; V129-I132 PolarHBondContact O-N 3.41Å; I132-A134 PolarHBondContact O-N 3.39Å; I132-N135 WeakPolarHBondContact O-CB 3.42Å; I132-N135 PolarHBondContact O-N 2.87Å; I132-N135 VanDerWaalsContact O-N 3.13Å; I132-L136 HydrophobicContact CG2-CD1 3.98Å; I132-L136 HydrophobicContact CG2-CG 4.26Å; I132-L136 WeakPolarHBondContact O-CG 3.49Å; I132-L136 PolarHBondContact O-N 2.94Å; I132-W196 HydrophobicContact CG2-CH2 4.44Å; I132-W196 HydrophobicContact CG2-CZ2 4.15Å; I132-L199 HydrophobicContact CD1-CB 3.98Å; I132-L199 HydrophobicContact CD1-CD1 4.29Å; I132-L199 HydrophobicContact CD1-CD2 3.97Å; I132-L199 HydrophobicContact CD1-CG 4.31Å |
| 133 | S | 90.2 | Very high | 86.3 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 179.5 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | V129 V130 N135 L136 I137 | V129-S133 WeakPolarHBondContact O-CB 3.33Å; V129-S133 PolarHBondContact O-N 3.23Å; V129-S133 PolarHBondContact O-OG 3.47Å; V130-S133 WeakPolarHBondContact CA-OG 3.36Å; V130-S133 PolarHBondContact O-N 3.14Å; V130-S133 PolarHBondContact O-OG 2.95Å; S133-N135 VanDerWaalsContact C-N 3.32Å; S133-N135 PolarHBondContact O-N 3.41Å; S133-L136 PolarHBondContact O-N 3.47Å; S133-I137 VanDerWaalsContact O-CG1 3.3Å; S133-I137 WeakPolarHBondContact O-CG1 3.46Å; S133-I137 PolarHBondContact O-N 3.28Å |
| 134 | A | 86.5 | Confident | 84.5 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 28% | 0.281 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V130 I132 L136 I137 F138 | V130-A134 WeakPolarHBondContact O-CB 3.35Å; V130-A134 PolarHBondContact O-N 3.26Å; I132-A134 PolarHBondContact O-N 3.39Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.01Å; A134-I137 WeakPolarHBondContact O-CB 3.4Å; A134-I137 PolarHBondContact O-N 2.87Å; A134-I137 VanDerWaalsContact O-N 3.13Å; A134-F138 HydrophobicContact CB-CD2 4.45Å; A134-F138 HydrophobicContact CB-CE2 4.15Å; A134-F138 WeakPolarHBondContact O-CD2 3.47Å; A134-F138 PolarHBondContact O-N 3.01Å |
| 135 | N | 85.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.08 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 180 | -160.2 | 26.3 | 0 | 0 | 0 | 113 | L131 I132 S133 I137 F138 T139 T188 A192 Y195 | L131-N135 WeakPolarHBondContact O-CB 3.45Å; L131-N135 PolarHBondContact O-N 2.99Å; I132-N135 WeakPolarHBondContact O-CB 3.42Å; I132-N135 PolarHBondContact O-N 2.87Å; I132-N135 VanDerWaalsContact O-N 3.13Å; S133-N135 VanDerWaalsContact C-N 3.32Å; S133-N135 PolarHBondContact O-N 3.41Å; N135-I137 VanDerWaalsContact C-N 3.3Å; N135-I137 PolarHBondContact O-N 3.33Å; N135-F138 PolarHBondContact O-N 3.21Å; N135-T139 WeakPolarHBondContact O-CB 3.44Å; N135-T139 PolarHBondContact O-N 3.47Å; N135-T139 PolarHBondContact O-OG1 3.3Å; N135-T188 WeakPolarHBondContact OD1-CG2 3.32Å; N135-T188 PolarHBondContact OD1-O 3.39Å; N135-A192 WeakPolarHBondContact ND2-CA 3.11Å; N135-A192 VanDerWaalsContact ND2-CB 3.29Å; N135-A192 WeakPolarHBondContact ND2-CB 3.47Å; N135-Y195 HydrophobicContact CB-CD2 4.21Å; N135-Y195 HydrophobicContact CB-CE2 4.29Å |
| 136 | L | 87 | Confident | 79.8 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.8 | -33.5 | 174.5 | -70.6 | 173.6 | 0 | 0 | 0 | 112.1 | I132 S133 A134 P140 | I132-L136 HydrophobicContact CG2-CD1 3.98Å; I132-L136 HydrophobicContact CG2-CG 4.26Å; I132-L136 WeakPolarHBondContact O-CG 3.49Å; I132-L136 PolarHBondContact O-N 2.94Å; S133-L136 PolarHBondContact O-N 3.47Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.01Å; L136-P140 WeakPolarHBondContact O-CD 3.42Å |
| 137 | I | 83.8 | Confident | 77.3 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 53% | 0.528 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71 | -37.8 | 174.3 | -66 | 163.5 | 0 | 0 | 0 | 111.1 | S133 A134 N135 P140 | S133-I137 VanDerWaalsContact O-CG1 3.3Å; S133-I137 WeakPolarHBondContact O-CG1 3.46Å; S133-I137 PolarHBondContact O-N 3.28Å; A134-I137 WeakPolarHBondContact O-CB 3.4Å; A134-I137 PolarHBondContact O-N 2.87Å; A134-I137 VanDerWaalsContact O-N 3.13Å; N135-I137 VanDerWaalsContact C-N 3.3Å; N135-I137 PolarHBondContact O-N 3.33Å; I137-P140 WeakPolarHBondContact O-CD 3.32Å; I137-P140 WeakPolarHBondContact O-CG 3.19Å |
| 138 | F | 78 | Confident | 75.2 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 17% | 0.167 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -79.1 | -25.9 | 179.5 | -66.6 | -58.7 | 0 | 0 | 0 | 114.1 | A134 N135 I141 C142 F156 V159 F184 T188 | A134-F138 HydrophobicContact CB-CD2 4.45Å; A134-F138 HydrophobicContact CB-CE2 4.15Å; A134-F138 WeakPolarHBondContact O-CD2 3.47Å; A134-F138 PolarHBondContact O-N 3.01Å; N135-F138 PolarHBondContact O-N 3.21Å; F138-I141 HydrophobicContact CD1-CD1 4.16Å; F138-I141 WeakPolarHBondContact O-CB 3.43Å; F138-I141 PolarHBondContact O-N 2.92Å; F138-C142 PolarHBondContact O-N 3.46Å; F138-F156 HydrophobicContact CD1-CE1 4.37Å; F138-F156 AromaticContact CE1-CE1 3.89Å; F138-F156 HydrophobicContact CE1-CE1 3.89Å; F138-V159 HydrophobicContact CE1-CG1 4.2Å; F138-V159 HydrophobicContact CE1-CG2 3.77Å; F138-V159 HydrophobicContact CZ-CG1 3.93Å; F138-V159 HydrophobicContact CZ-CG2 4.22Å; F138-F184 HydrophobicContact CB-CE1 4.47Å; F138-F184 HydrophobicContact CD1-CE1 4.29Å; F138-F184 HydrophobicContact CD1-CZ 4.44Å; F138-F184 HydrophobicContact CG-CE1 4.34Å; F138-F184 HydrophobicContact CG-CZ 4.39Å; F138-T188 HydrophobicContact CB-CG2 3.97Å |
| 139 | T | 79.2 | Confident | 73 | Confident | 56 Ų | 56 | 78.2 Ų | 78.2 | 34% | 0.344 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -50.4 | 179.9 | -59.9 | 0 | 0 | 0 | 0 | 113.9 | N135 I141 C142 L143 | N135-T139 WeakPolarHBondContact O-CB 3.44Å; N135-T139 PolarHBondContact O-N 3.47Å; N135-T139 PolarHBondContact O-OG1 3.3Å; T139-I141 PolarHBondContact O-N 2.89Å; T139-C142 WeakPolarHBondContact O-CB 3.31Å; T139-C142 PolarHBondContact O-N 3.31Å; T139-L143 PolarHBondContact O-N 3.21Å |
| 140 | P | 74.4 | Confident | 70.8 | Confident | 84 Ų | 84 | 80.4 Ų | 80.4 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -65.1 | -25.3 | -179.6 | 25.3 | -35.1 | 0 | 0 | 0 | 113.5 | L136 I137 C142 L143 | L136-P140 WeakPolarHBondContact O-CD 3.42Å; I137-P140 WeakPolarHBondContact O-CD 3.32Å; I137-P140 WeakPolarHBondContact O-CG 3.19Å; P140-C142 PolarHBondContact O-N 3.39Å; P140-L143 PolarHBondContact O-N 3.45Å |
| 141 | I | 71.2 | Confident | 68.8 | Low | 63 Ų | 63 | 83.6 Ų | 83.6 | 32% | 0.323 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -67.7 | -29.1 | 174.7 | -63.6 | 169.5 | 0 | 0 | 0 | 110.7 | F138 T139 F154 | F138-I141 HydrophobicContact CD1-CD1 4.16Å; F138-I141 WeakPolarHBondContact O-CB 3.43Å; F138-I141 PolarHBondContact O-N 2.92Å; T139-I141 PolarHBondContact O-N 2.89Å; I141-F154 HydrophobicContact CB-CZ 4.4Å; I141-F154 HydrophobicContact CG2-CD1 4.18Å; I141-F154 HydrophobicContact CG2-CE1 3.46Å; I141-F154 VanDerWaalsContact CG2-CE1 3.46Å; I141-F154 HydrophobicContact CG2-CE2 3.94Å; I141-F154 HydrophobicContact CG2-CZ 3.34Å |
| 142 | C | 71.3 | Confident | 66.9 | Low | 13 Ų | 13 | 87.2 Ų | 87.2 | 9% | 0.088 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -94.2 | 4.8 | -177.7 | -72.3 | 0 | 0 | 0 | 0 | 114.9 | F138 T139 P140 C185 | F138-C142 PolarHBondContact O-N 3.46Å; T139-C142 WeakPolarHBondContact O-CB 3.31Å; T139-C142 PolarHBondContact O-N 3.31Å; P140-C142 PolarHBondContact O-N 3.39Å; C142-C185 WeakPolarHBondContact CA-SG 3.46Å; C142-C185 HydrophobicContact CB-CB 3.59Å; C142-C185 WeakPolarHBondContact CB-SG 3.32Å; C142-C185 WeakPolarHBondContact SG-CA 3.46Å; C142-C185 WeakPolarHBondContact SG-CB 3.28Å; C142-C185 CovalentContact SG-SG 2.03Å; C142-C185 PolarHBondContact SG-SG 3.39Å |
| 143 | L | 67.3 | Low | 65.3 | Low | 113 Ų | 113 | 89.9 Ų | 89.9 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -70.1 | 130.8 | 171.2 | -97.4 | 89.4 | 0 | 0 | 0 | 109.2 | T139 P140 Q145 | T139-L143 PolarHBondContact O-N 3.21Å; P140-L143 PolarHBondContact O-N 3.45Å; L143-Q145 PolarHBondContact O-N 3.05Å |
| 144 | P | 57.4 | Low | 63.7 | Low | 97 Ų | 97 | 91 Ų | 91 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | trans | -64.9 | 104.6 | 178.5 | 25.7 | -31.4 | 0 | 0 | 0 | 108.6 | L146 | P144-L146 VanDerWaalsContact C-N 3.32Å; P144-L146 PolarHBondContact O-N 3.19Å | ||
| 145 | Q | 52.7 | Low | 62.2 | Low | 132 Ų | 132 | 93.6 Ų | 93.6 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | trans | -71.1 | 99 | 160 | -71.2 | -149.9 | -33.4 | 0 | 0 | 106.2 | L143 G147 | L143-Q145 PolarHBondContact O-N 3.05Å; Q145-G147 PolarHBondContact O-N 3.02Å | ||
| 146 | L | 39.5 | Very low | 61 | Low | 172 Ų | 172 | 94.2 Ų | 94.2 | 90% | 0.901 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.7 | 113 | 174.3 | -88.2 | 84.3 | 0 | 0 | 0 | 109.5 | P144 | P144-L146 VanDerWaalsContact C-N 3.32Å; P144-L146 PolarHBondContact O-N 3.19Å |
| 147 | G | 44.1 | Very low | 59.5 | Low | 73 Ų | 73 | 92 Ų | 92 | 75% | 0.753 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.9 | -1.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | Q145 | Q145-G147 PolarHBondContact O-N 3.02Š|
| 148 | L | 48 | Very low | 58.2 | Low | 81 Ų | 81 | 93.4 Ų | 93.4 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | trans | -136.4 | 33.4 | -175.9 | -127.5 | 85.1 | 0 | 0 | 0 | 115.5 | S150 R152 | L148-S150 VanDerWaalsContact C-N 3.3Å; L148-S150 PolarHBondContact O-N 3.14Å; L148-R152 HydrophobicContact CD2-CG 3.88Å | ||
| 149 | E | 48.3 | Very low | 57.3 | Low | 160 Ų | 160 | 93 Ų | 93 | 75% | 0.748 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -22.7 | -176.2 | -80 | -101.2 | 112.2 | 0 | 0 | 114.5 | ||
| 150 | S | 47.4 | Very low | 56.1 | Low | 121 Ų | 121 | 91.3 Ų | 91.3 | 85% | 0.846 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -10 | -171.4 | 50.5 | 0 | 0 | 0 | 0 | 115.8 | L148 | L148-S150 VanDerWaalsContact C-N 3.3Å; L148-S150 PolarHBondContact O-N 3.14Å |
| 151 | E | 50.9 | Low | 55.1 | Low | 158 Ų | 158 | 90 Ų | 90 | 74% | 0.738 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | -13.4 | -174 | -74.4 | -159.1 | 152.3 | 0 | 0 | 116 | C153 | E151-C153 PolarHBondContact O-N 2.73Š|
| 152 | R | 50.2 | Low | 54.3 | Low | 147 Ų | 147 | 93.3 Ų | 93.3 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | trans | -92.6 | 92.3 | -178.6 | -62.1 | -151.1 | -163 | 155.1 | 13.1 | 112.2 | L148 F154 | L148-R152 HydrophobicContact CD2-CG 3.88Å; R152-F154 PolarHBondContact O-N 3.45Å | ||
| 153 | C | 58.5 | Low | 53.4 | Low | 71 Ų | 71 | 100.7 Ų | 100.7 | 48% | 0.48 | 54% | 0.543 | S | S | . | . | trans | -58.8 | 117 | 161.2 | -75.8 | 0 | 0 | 0 | 0 | 110.7 | E151 N155 I175 C177 | E151-C153 PolarHBondContact O-N 2.73Å; C153-N155 PolarHBondContact O-N 3.35Å; C153-I175 HydrophobicContact CB-CG2 3.79Å; C153-C177 VanDerWaalsContact CA-SG 3.59Å; C153-C177 HydrophobicContact CB-CB 4.17Å; C153-C177 WeakPolarHBondContact CB-SG 3.43Å; C153-C177 WeakPolarHBondContact SG-CB 3.36Å; C153-C177 CovalentContact SG-SG 2.03Å; C153-C177 PolarHBondContact SG-SG 3.42Å | ||
| 154 | F | 56.3 | Low | 52.9 | Low | 78 Ų | 78 | 96.4 Ų | 96.4 | 34% | 0.342 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 115.2 | -178 | -130.3 | -84.9 | 0 | 0 | 0 | 109.9 | I141 R152 F156 L174 I175 L176 V181 | I141-F154 HydrophobicContact CB-CZ 4.4Å; I141-F154 HydrophobicContact CG2-CD1 4.18Å; I141-F154 HydrophobicContact CG2-CE1 3.46Å; I141-F154 VanDerWaalsContact CG2-CE1 3.46Å; I141-F154 HydrophobicContact CG2-CE2 3.94Å; I141-F154 HydrophobicContact CG2-CZ 3.34Å; R152-F154 PolarHBondContact O-N 3.45Å; F154-F156 PolarHBondContact O-N 3.15Å; F154-L174 VanDerWaalsContact O-O 3.14Å; F154-I175 WeakPolarHBondContact O-CA 3.37Å; F154-L176 PolarHBondContact N-O 3.34Å; F154-L176 PolarHBondContact O-N 2.87Å; F154-L176 VanDerWaalsContact O-N 3.07Å; F154-V181 HydrophobicContact CB-CG2 4.43Å |
| 155 | N | 55.1 | Low | 52.9 | Low | 89 Ų | 89 | 95.2 Ų | 95.2 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 95.7 | -178.9 | -138.6 | -32.5 | 0 | 0 | 0 | 108.5 | C153 S157 I175 | C153-N155 PolarHBondContact O-N 3.35Å; N155-S157 PolarHBondContact O-N 3.38Å; N155-I175 HydrophobicContact CB-CG1 4.34Å; N155-I175 VanDerWaalsContact CG-CG1 3.47Å; N155-I175 WeakPolarHBondContact OD1-CG1 3.49Å |
| 156 | F | 60.2 | Low | 53 | Low | 28 Ų | 28 | 91.4 Ų | 91.4 | 12% | 0.123 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 12.8 | 174.2 | -87.3 | -93.1 | 0 | 0 | 0 | 113.1 | F138 F154 L158 V159 S160 L174 F184 | F138-F156 HydrophobicContact CD1-CE1 4.37Å; F138-F156 AromaticContact CE1-CE1 3.89Å; F138-F156 HydrophobicContact CE1-CE1 3.89Å; F154-F156 PolarHBondContact O-N 3.15Å; F156-L158 PolarHBondContact O-N 3.46Å; F156-L158 VanDerWaalsContact O-N 3.08Å; F156-V159 HydrophobicContact CD1-CB 3.83Å; F156-V159 HydrophobicContact CD1-CG1 4.11Å; F156-V159 HydrophobicContact CD1-CG2 3.88Å; F156-V159 HydrophobicContact CE1-CG2 4.39Å; F156-V159 PolarHBondContact O-N 3.05Å; F156-S160 WeakPolarHBondContact O-CB 3.31Å; F156-S160 PolarHBondContact O-N 3.16Å; F156-L174 HydrophobicContact CB-CB 3.91Å; F156-L174 WeakPolarHBondContact CB-O 3.4Å; F156-L174 PolarHBondContact N-O 3.32Å; F156-F184 HydrophobicContact CE1-CE1 4.48Å; F156-F184 HydrophobicContact CZ-CD1 4.25Å; F156-F184 HydrophobicContact CZ-CE1 4.05Å; F156-F184 HydrophobicContact CZ-CZ 4.49Å |
| 157 | S | 56.6 | Low | 53.6 | Low | 56 Ų | 56 | 88.4 Ų | 88.4 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -50.5 | -37.2 | -178.8 | -167.8 | 0 | 0 | 0 | 0 | 112.7 | N155 L161 | N155-S157 PolarHBondContact O-N 3.38Å; S157-L161 WeakPolarHBondContact O-CB 3.41Å; S157-L161 PolarHBondContact O-N 3.04Å |
| 158 | L | 56 | Low | 54.1 | Low | 132 Ų | 132 | 95.2 Ų | 95.2 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.3 | -41.2 | 177.3 | -157.4 | 81 | 0 | 0 | 0 | 113.1 | F156 L161 M162 | F156-L158 PolarHBondContact O-N 3.46Å; F156-L158 VanDerWaalsContact O-N 3.08Å; L158-L161 PolarHBondContact O-N 3.05Å; L158-M162 WeakPolarHBondContact O-CB 3.44Å; L158-M162 PolarHBondContact O-N 3.44Å |
| 159 | V | 58 | Low | 54.1 | Low | 29 Ų | 29 | 101.3 Ų | 101.3 | 18% | 0.176 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -73.4 | -38.4 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | F138 F156 M162 M163 | F138-V159 HydrophobicContact CE1-CG1 4.2Å; F138-V159 HydrophobicContact CE1-CG2 3.77Å; F138-V159 HydrophobicContact CZ-CG1 3.93Å; F138-V159 HydrophobicContact CZ-CG2 4.22Å; F156-V159 HydrophobicContact CD1-CB 3.83Å; F156-V159 HydrophobicContact CD1-CG1 4.11Å; F156-V159 HydrophobicContact CD1-CG2 3.88Å; F156-V159 HydrophobicContact CE1-CG2 4.39Å; F156-V159 PolarHBondContact O-N 3.05Å; V159-M162 PolarHBondContact O-N 3.39Å; V159-M163 WeakPolarHBondContact O-CB 3.36Å; V159-M163 WeakPolarHBondContact O-CG 3.4Å; V159-M163 PolarHBondContact O-N 3.47Å |
| 160 | S | 55.2 | Low | 53.9 | Low | 21 Ų | 21 | 96.7 Ų | 96.7 | 15% | 0.147 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 173.7 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | F156 M162 M163 A164 A171 V172 | F156-S160 WeakPolarHBondContact O-CB 3.31Å; F156-S160 PolarHBondContact O-N 3.16Å; S160-M162 VanDerWaalsContact C-N 3.32Å; S160-M162 PolarHBondContact O-N 3.23Å; S160-M163 PolarHBondContact O-N 3.29Å; S160-A164 WeakPolarHBondContact O-CB 3.33Å; S160-A164 PolarHBondContact O-N 2.94Å; S160-A171 VanDerWaalsContact OG-CA 3.28Å; S160-A171 WeakPolarHBondContact OG-CA 3.43Å; S160-V172 VanDerWaalsContact CB-O 3.31Å; S160-V172 WeakPolarHBondContact CB-O 3.49Å; S160-V172 PolarHBondContact OG-N 2.95Å; S160-V172 VanDerWaalsContact OG-N 3.08Å; S160-V172 PolarHBondContact OG-O 3.34Å |
| 161 | L | 53.2 | Low | 53.6 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 29% | 0.288 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 172.9 | -170.5 | 78.6 | 0 | 0 | 0 | 111.6 | S157 L158 A164 G165 G166 R168 A171 | S157-L161 WeakPolarHBondContact O-CB 3.41Å; S157-L161 PolarHBondContact O-N 3.04Å; L158-L161 PolarHBondContact O-N 3.05Å; L161-A164 PolarHBondContact O-N 3.26Å; L161-G165 PolarHBondContact O-N 3.24Å; L161-G166 PolarHBondContact O-N 2.73Å; L161-R168 HydrophobicContact CD1-CG 3.8Å; L161-A171 HydrophobicContact CD1-CB 4.49Å |
| 162 | M | 54.1 | Low | 53.4 | Low | 133 Ų | 133 | 89.1 Ų | 89.1 | 66% | 0.655 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.8 | -44.9 | 176.9 | -157.9 | -170.2 | -51.1 | 0 | 0 | 111.7 | L158 V159 S160 A164 G165 | L158-M162 WeakPolarHBondContact O-CB 3.44Å; L158-M162 PolarHBondContact O-N 3.44Å; V159-M162 PolarHBondContact O-N 3.39Å; S160-M162 VanDerWaalsContact C-N 3.32Å; S160-M162 PolarHBondContact O-N 3.23Å; M162-A164 VanDerWaalsContact C-N 3.31Å; M162-A164 PolarHBondContact O-N 2.95Å; M162-G165 PolarHBondContact O-N 2.94Å |
| 163 | M | 53.5 | Low | 53.2 | Low | 169 Ų | 169 | 85.7 Ų | 85.7 | 83% | 0.833 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.6 | -30.1 | 174.5 | -75.5 | -133 | -103 | 0 | 0 | 112.7 | V159 S160 G165 | V159-M163 WeakPolarHBondContact O-CB 3.36Å; V159-M163 WeakPolarHBondContact O-CG 3.4Å; V159-M163 PolarHBondContact O-N 3.47Å; S160-M163 PolarHBondContact O-N 3.29Å; M163-G165 PolarHBondContact O-N 3.49Å |
| 164 | A | 56.3 | Low | 52.9 | Low | 23 Ų | 23 | 85.6 Ų | 85.6 | 19% | 0.19 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 7.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S160 L161 M162 G166 N167 A170 A171 | S160-A164 WeakPolarHBondContact O-CB 3.33Å; S160-A164 PolarHBondContact O-N 2.94Å; L161-A164 PolarHBondContact O-N 3.26Å; M162-A164 VanDerWaalsContact C-N 3.31Å; M162-A164 PolarHBondContact O-N 2.95Å; A164-G166 PolarHBondContact O-N 3.29Å; A164-N167 VanDerWaalsContact O-CB 3.31Å; A164-N167 WeakPolarHBondContact O-CB 3.34Å; A164-N167 PolarHBondContact O-N 3.47Å; A164-A170 HydrophobicContact CB-CB 4.09Å; A164-A171 HydrophobicContact CB-CB 4.37Å |
| 165 | G | 56 | Low | 52.8 | Low | 71 Ų | 71 | 85.9 Ų | 85.9 | 73% | 0.732 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 31.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L161 M162 M163 N167 | L161-G165 PolarHBondContact O-N 3.24Å; M162-G165 PolarHBondContact O-N 2.94Å; M163-G165 PolarHBondContact O-N 3.49Å; G165-N167 VanDerWaalsContact C-N 3.32Å |
| 166 | G | 56.6 | Low | 52.8 | Low | 52 Ų | 52 | 83.2 Ų | 83.2 | 54% | 0.536 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -0.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | L161 A164 R168 | L161-G166 PolarHBondContact O-N 2.73Å; A164-G166 PolarHBondContact O-N 3.29Å; G166-R168 PolarHBondContact O-N 2.87Å |
| 167 | N | 52.2 | Low | 52.6 | Low | 109 Ų | 109 | 84.7 Ų | 84.7 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | trans | -85.7 | 96.7 | -176 | -131.8 | -15.3 | 0 | 0 | 0 | 111.2 | A164 G165 K169 A170 A171 | A164-N167 VanDerWaalsContact O-CB 3.31Å; A164-N167 WeakPolarHBondContact O-CB 3.34Å; A164-N167 PolarHBondContact O-N 3.47Å; G165-N167 VanDerWaalsContact C-N 3.32Å; N167-K169 PolarHBondContact O-N 3.35Å; N167-A170 PolarHBondContact O-N 3.38Å; N167-A171 PolarHBondContact O-N 2.96Å | ||
| 168 | R | 54.1 | Low | 53 | Low | 217 Ų | 217 | 84.5 Ų | 84.5 | 82% | 0.819 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25.5 | -176.5 | -81.2 | -174 | -176.9 | 171.8 | 1.6 | 115.1 | L161 G166 | L161-R168 HydrophobicContact CD1-CG 3.8Å; G166-R168 PolarHBondContact O-N 2.87Å |
| 169 | K | 47.2 | Very low | 53.2 | Low | 209 Ų | 209 | 84.1 Ų | 84.1 | 91% | 0.909 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -22.1 | -179.9 | -65.4 | -170.5 | 179.4 | -175.2 | 0 | 113.9 | N167 | N167-K169 PolarHBondContact O-N 3.35Š|
| 170 | A | 44.5 | Very low | 53.5 | Low | 63 Ų | 63 | 84.8 Ų | 84.8 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A164 N167 V172 | A164-A170 HydrophobicContact CB-CB 4.09Å; N167-A170 PolarHBondContact O-N 3.38Å; A170-V172 PolarHBondContact O-N 3.48Å |
| 171 | A | 41.7 | Very low | 53.9 | Low | 25 Ų | 25 | 85.2 Ų | 85.2 | 21% | 0.207 | 50% | 0.495 | C | S | . | . | trans | -72.5 | 98.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S160 L161 A164 N167 S173 | S160-A171 VanDerWaalsContact OG-CA 3.28Å; S160-A171 WeakPolarHBondContact OG-CA 3.43Å; L161-A171 HydrophobicContact CD1-CB 4.49Å; A164-A171 HydrophobicContact CB-CB 4.37Å; N167-A171 PolarHBondContact O-N 2.96Å; A171-S173 PolarHBondContact O-N 2.92Å | ||
| 172 | V | 46.3 | Very low | 54.6 | Low | 94 Ų | 94 | 85.5 Ų | 85.5 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | trans | -72.2 | 116.2 | 168.9 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | S160 A170 L174 | S160-V172 VanDerWaalsContact CB-O 3.31Å; S160-V172 WeakPolarHBondContact CB-O 3.49Å; S160-V172 PolarHBondContact OG-N 2.95Å; S160-V172 VanDerWaalsContact OG-N 3.08Å; S160-V172 PolarHBondContact OG-O 3.34Å; A170-V172 PolarHBondContact O-N 3.48Å; V172-L174 HydrophobicContact CB-CD1 4.28Å; V172-L174 HydrophobicContact CG1-CD1 3.9Å; V172-L174 PolarHBondContact O-N 3.47Å | ||
| 173 | S | 46.4 | Very low | 55.3 | Low | 76 Ų | 76 | 83.1 Ų | 83.1 | 53% | 0.531 | 49% | 0.487 | S | S | . | . | trans | -63.8 | 86 | 169.7 | 54.2 | 0 | 0 | 0 | 0 | 108.9 | A171 I175 | A171-S173 PolarHBondContact O-N 2.92Å; S173-I175 PolarHBondContact O-N 2.7Å | ||
| 174 | L | 50.9 | Low | 56.1 | Low | 68 Ų | 68 | 78.3 Ų | 78.3 | 36% | 0.356 | 46% | 0.462 | S | S | . | . | trans | -72.1 | 83.3 | 167.3 | -111.2 | 86.6 | 0 | 0 | 0 | 106.6 | F154 F156 V172 L176 | F154-L174 VanDerWaalsContact O-O 3.14Å; F156-L174 HydrophobicContact CB-CB 3.91Å; F156-L174 WeakPolarHBondContact CB-O 3.4Å; F156-L174 PolarHBondContact N-O 3.32Å; V172-L174 HydrophobicContact CB-CD1 4.28Å; V172-L174 HydrophobicContact CG1-CD1 3.9Å; V172-L174 PolarHBondContact O-N 3.47Å; L174-L176 HydrophobicContact CB-CD1 3.89Å; L174-L176 HydrophobicContact CD2-CD1 3.51Å; L174-L176 HydrophobicContact CG-CD1 3.68Å; L174-L176 PolarHBondContact O-N 3.5Å | ||
| 175 | I | 54.3 | Low | 57.2 | Low | 85 Ų | 85 | 78.2 Ų | 78.2 | 44% | 0.436 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 103.2 | 162.5 | -71.7 | 169.6 | 0 | 0 | 0 | 105.3 | C153 F154 N155 S173 C177 | C153-I175 HydrophobicContact CB-CG2 3.79Å; F154-I175 WeakPolarHBondContact O-CA 3.37Å; N155-I175 HydrophobicContact CB-CG1 4.34Å; N155-I175 VanDerWaalsContact CG-CG1 3.47Å; N155-I175 WeakPolarHBondContact OD1-CG1 3.49Å; S173-I175 PolarHBondContact O-N 2.7Å; I175-C177 VanDerWaalsContact CG2-SG 3.51Å |
| 176 | L | 55.2 | Low | 58.2 | Low | 32 Ų | 32 | 82.5 Ų | 82.5 | 17% | 0.168 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.6 | 171.8 | -94 | 62.9 | 0 | 0 | 0 | 108 | F154 L174 P180 V181 | F154-L176 PolarHBondContact N-O 3.34Å; F154-L176 PolarHBondContact O-N 2.87Å; F154-L176 VanDerWaalsContact O-N 3.07Å; L174-L176 HydrophobicContact CB-CD1 3.89Å; L174-L176 HydrophobicContact CD2-CD1 3.51Å; L174-L176 HydrophobicContact CG-CD1 3.68Å; L174-L176 PolarHBondContact O-N 3.5Å; L176-P180 HydrophobicContact CB-CG 4.21Å; L176-P180 HydrophobicContact CD2-CB 3.78Å; L176-P180 HydrophobicContact CD2-CG 4.16Å; L176-P180 HydrophobicContact CG-CB 4.02Å; L176-P180 HydrophobicContact CG-CG 3.88Å; L176-V181 HydrophobicContact CB-CG2 3.53Å; L176-V181 VanDerWaalsContact O-CG2 3.27Å; L176-V181 WeakPolarHBondContact O-CG2 3.34Å |
| 177 | C | 57.1 | Low | 59.2 | Low | 60 Ų | 60 | 81.4 Ų | 81.4 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | trans | -119.2 | 136.3 | 174.3 | -43.2 | 0 | 0 | 0 | 0 | 109.1 | C153 I175 P180 | C153-C177 VanDerWaalsContact CA-SG 3.59Å; C153-C177 HydrophobicContact CB-CB 4.17Å; C153-C177 WeakPolarHBondContact CB-SG 3.43Å; C153-C177 WeakPolarHBondContact SG-CB 3.36Å; C153-C177 CovalentContact SG-SG 2.03Å; C153-C177 PolarHBondContact SG-SG 3.42Å; I175-C177 VanDerWaalsContact CG2-SG 3.51Å; C177-P180 WeakPolarHBondContact O-CD 3.47Å | ||
| 178 | G | 63.3 | Low | 60.5 | Low | 51 Ų | 51 | 76.7 Ų | 76.7 | 53% | 0.526 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 78.1 | -130.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P180 V181 | G178-P180 VanDerWaalsContact C-CD 3.4Å; G178-V181 PolarHBondContact O-N 2.98Å |
| 179 | D | 61.7 | Low | 61.8 | Low | 125 Ų | 125 | 72.3 Ų | 72.3 | 67% | 0.668 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -51.8 | -40.2 | -172.2 | -81 | -36.9 | 0 | 0 | 0 | 117.6 | V181 S182 K183 | D179-V181 VanDerWaalsContact C-N 3.27Å; D179-V181 PolarHBondContact O-N 3.5Å; D179-S182 PolarHBondContact O-N 2.99Å; D179-S182 PolarHBondContact O-OG 3.27Å; D179-K183 PolarHBondContact O-N 2.89Å |
| 180 | P | 64 | Low | 63.5 | Low | 43 Ų | 43 | 66.3 Ų | 66.3 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.8 | -25.3 | -176.9 | 27.3 | -34.9 | 0 | 0 | 0 | 112.7 | L176 C177 G178 F184 | L176-P180 HydrophobicContact CB-CG 4.21Å; L176-P180 HydrophobicContact CD2-CB 3.78Å; L176-P180 HydrophobicContact CD2-CG 4.16Å; L176-P180 HydrophobicContact CG-CB 4.02Å; L176-P180 HydrophobicContact CG-CG 3.88Å; C177-P180 WeakPolarHBondContact O-CD 3.47Å; G178-P180 VanDerWaalsContact C-CD 3.4Å; P180-F184 WeakPolarHBondContact O-CB 3.36Å; P180-F184 PolarHBondContact O-N 3Å |
| 181 | V | 63.5 | Low | 65.5 | Low | 29 Ų | 29 | 63.8 Ų | 63.8 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.7 | -44 | 176.5 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | F154 L176 G178 D179 K183 F184 C185 | F154-V181 HydrophobicContact CB-CG2 4.43Å; L176-V181 HydrophobicContact CB-CG2 3.53Å; L176-V181 VanDerWaalsContact O-CG2 3.27Å; L176-V181 WeakPolarHBondContact O-CG2 3.34Å; G178-V181 PolarHBondContact O-N 2.98Å; D179-V181 VanDerWaalsContact C-N 3.27Å; D179-V181 PolarHBondContact O-N 3.5Å; V181-K183 VanDerWaalsContact C-N 3.32Å; V181-K183 PolarHBondContact O-N 3.41Å; V181-F184 PolarHBondContact O-N 3.22Å; V181-C185 PolarHBondContact O-N 3.33Å |
| 182 | S | 67.8 | Low | 67.6 | Low | 61 Ų | 61 | 63.7 Ų | 63.7 | 43% | 0.427 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 179.9 | 89.4 | 0 | 0 | 0 | 0 | 111.1 | D179 C185 K186 | D179-S182 PolarHBondContact O-N 2.99Å; D179-S182 PolarHBondContact O-OG 3.27Å; S182-C185 PolarHBondContact O-N 2.94Å; S182-K186 WeakPolarHBondContact O-CB 3.02Å; S182-K186 PolarHBondContact O-N 3.43Å |
| 183 | K | 68.4 | Low | 69.6 | Low | 84 Ų | 84 | 62.8 Ų | 62.8 | 37% | 0.365 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 173.6 | -73.6 | -171.3 | 179.8 | -177.6 | 0 | 112 | L41 D44 D179 V181 K186 L187 | L41-K183 HydrophobicContact CD2-CB 4.48Å; D44-K183 IonicContact OD2-NZ 3.74Å; D44-K183 PolarHBondContact OD2-NZ 3.21Å; D179-K183 PolarHBondContact O-N 2.89Å; V181-K183 VanDerWaalsContact C-N 3.32Å; V181-K183 PolarHBondContact O-N 3.41Å; K183-K186 PolarHBondContact O-N 3.23Å; K183-L187 WeakPolarHBondContact O-CB 3.48Å; K183-L187 PolarHBondContact O-N 3.22Å |
| 184 | F | 71.4 | Confident | 71.6 | Confident | 68 Ų | 68 | 61.4 Ų | 61.4 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.8 | -176.8 | -97.1 | 0 | 0 | 0 | 111.6 | F138 F156 P180 V181 K186 L187 T188 | F138-F184 HydrophobicContact CB-CE1 4.47Å; F138-F184 HydrophobicContact CD1-CE1 4.29Å; F138-F184 HydrophobicContact CD1-CZ 4.44Å; F138-F184 HydrophobicContact CG-CE1 4.34Å; F138-F184 HydrophobicContact CG-CZ 4.39Å; F156-F184 HydrophobicContact CE1-CE1 4.48Å; F156-F184 HydrophobicContact CZ-CD1 4.25Å; F156-F184 HydrophobicContact CZ-CE1 4.05Å; F156-F184 HydrophobicContact CZ-CZ 4.49Å; P180-F184 WeakPolarHBondContact O-CB 3.36Å; P180-F184 PolarHBondContact O-N 3Å; V181-F184 PolarHBondContact O-N 3.22Å; F184-K186 PolarHBondContact O-N 3.38Å; F184-L187 WeakPolarHBondContact O-CA 3.49Å; F184-L187 VanDerWaalsContact O-CB 3.3Å; F184-L187 WeakPolarHBondContact O-CB 3.39Å; F184-L187 PolarHBondContact O-N 3.33Å; F184-L187 VanDerWaalsContact O-N 3.08Å; F184-T188 PolarHBondContact O-N 3.05Å; F184-T188 PolarHBondContact O-OG1 3.09Å |
| 185 | C | 77.9 | Confident | 73.5 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 14% | 0.142 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 178.7 | -78.8 | 0 | 0 | 0 | 0 | 113.5 | C142 V181 S182 L187 T188 Q189 | C142-C185 WeakPolarHBondContact CA-SG 3.46Å; C142-C185 HydrophobicContact CB-CB 3.59Å; C142-C185 WeakPolarHBondContact CB-SG 3.32Å; C142-C185 WeakPolarHBondContact SG-CA 3.46Å; C142-C185 WeakPolarHBondContact SG-CB 3.28Å; C142-C185 CovalentContact SG-SG 2.03Å; C142-C185 PolarHBondContact SG-SG 3.39Å; V181-C185 PolarHBondContact O-N 3.33Å; S182-C185 PolarHBondContact O-N 2.94Å; C185-L187 PolarHBondContact O-N 3.44Å; C185-T188 PolarHBondContact O-N 3.43Å; C185-Q189 WeakPolarHBondContact O-CG 3.3Å; C185-Q189 PolarHBondContact O-N 3.07Å |
| 186 | K | 77.7 | Confident | 75.3 | Confident | 160 Ų | 160 | 62.2 Ų | 62.2 | 70% | 0.696 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.8 | -37 | 173.5 | -164.2 | 174.2 | -176.2 | 177 | 0 | 111.3 | S182 K183 F184 L190 | S182-K186 WeakPolarHBondContact O-CB 3.02Å; S182-K186 PolarHBondContact O-N 3.43Å; K183-K186 PolarHBondContact O-N 3.23Å; F184-K186 PolarHBondContact O-N 3.38Å; K186-L190 WeakPolarHBondContact O-CB 3.32Å; K186-L190 PolarHBondContact O-N 3.33Å |
| 187 | L | 77 | Confident | 77.2 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.9 | -49.5 | 174.9 | -170.5 | 64.8 | 0 | 0 | 0 | 112.2 | L41 K183 F184 C185 Q189 L190 L191 | L41-L187 HydrophobicContact CD1-CD1 3.46Å; L41-L187 VanDerWaalsContact CD1-CD1 3.46Å; L41-L187 HydrophobicContact CD2-CB 3.94Å; L41-L187 HydrophobicContact CD2-CD1 4Å; L41-L187 HydrophobicContact CD2-CD2 4.1Å; L41-L187 HydrophobicContact CD2-CG 4.23Å; L41-L187 HydrophobicContact CG-CD1 4.25Å; K183-L187 WeakPolarHBondContact O-CB 3.48Å; K183-L187 PolarHBondContact O-N 3.22Å; F184-L187 WeakPolarHBondContact O-CA 3.49Å; F184-L187 VanDerWaalsContact O-CB 3.3Å; F184-L187 WeakPolarHBondContact O-CB 3.39Å; F184-L187 PolarHBondContact O-N 3.33Å; F184-L187 VanDerWaalsContact O-N 3.08Å; C185-L187 PolarHBondContact O-N 3.44Å; L187-Q189 VanDerWaalsContact C-N 3.26Å; L187-Q189 PolarHBondContact O-N 3.08Å; L187-L190 PolarHBondContact O-N 3.02Å; L187-L191 HydrophobicContact CD1-CD1 3.34Å; L187-L191 HydrophobicContact CG-CD1 3.77Å; L187-L191 WeakPolarHBondContact O-CD1 3.45Å; L187-L191 PolarHBondContact O-N 2.98Å |
| 188 | T | 80.8 | Confident | 78.9 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.8 | -44.5 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | N135 F138 F184 C185 A192 | N135-T188 WeakPolarHBondContact OD1-CG2 3.32Å; N135-T188 PolarHBondContact OD1-O 3.39Å; F138-T188 HydrophobicContact CB-CG2 3.97Å; F184-T188 PolarHBondContact O-N 3.05Å; F184-T188 PolarHBondContact O-OG1 3.09Å; C185-T188 PolarHBondContact O-N 3.43Å; T188-A192 PolarHBondContact O-N 3.43Å |
| 189 | Q | 80.7 | Confident | 80.4 | Confident | 125 Ų | 125 | 58.2 Ų | 58.2 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.3 | -37.9 | 176.1 | -72.4 | -176.8 | -19.4 | 0 | 0 | 112.9 | C185 L187 P193 | C185-Q189 WeakPolarHBondContact O-CG 3.3Å; C185-Q189 PolarHBondContact O-N 3.07Å; L187-Q189 VanDerWaalsContact C-N 3.26Å; L187-Q189 PolarHBondContact O-N 3.08Å; Q189-P193 WeakPolarHBondContact O-CD 3.24Å |
| 190 | L | 83.8 | Confident | 82 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 43% | 0.429 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 178.5 | -173.5 | 67.9 | 0 | 0 | 0 | 112.6 | K186 L187 P193 W194 | K186-L190 WeakPolarHBondContact O-CB 3.32Å; K186-L190 PolarHBondContact O-N 3.33Å; L187-L190 PolarHBondContact O-N 3.02Å; L190-P193 WeakPolarHBondContact O-CD 3.41Å; L190-P193 WeakPolarHBondContact O-CG 3.46Å; L190-W194 HydrophobicContact CD1-CZ2 4.5Å; L190-W194 HydrophobicContact CD2-CH2 4.43Å; L190-W194 HydrophobicContact CG-CH2 4.46Å; L190-W194 HydrophobicContact CG-CZ2 4.36Å |
| 191 | L | 85.3 | Confident | 83.5 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.5 | -22.1 | -178.3 | -89.2 | 67.4 | 0 | 0 | 0 | 113 | I38 L187 W194 Y195 | I38-L191 HydrophobicContact CD1-CD2 4.4Å; I38-L191 HydrophobicContact CG1-CD2 4.33Å; L187-L191 HydrophobicContact CD1-CD1 3.34Å; L187-L191 HydrophobicContact CG-CD1 3.77Å; L187-L191 WeakPolarHBondContact O-CD1 3.45Å; L187-L191 PolarHBondContact O-N 2.98Å; L191-W194 HydrophobicContact CD1-CE3 4.37Å; L191-W194 HydrophobicContact CD1-CZ3 4.4Å; L191-W194 HydrophobicContact CG-CE3 4.27Å; L191-W194 WeakPolarHBondContact O-CB 3.35Å; L191-W194 PolarHBondContact O-N 3.36Å; L191-Y195 HydrophobicContact CB-CD2 4.28Å; L191-Y195 HydrophobicContact CB-CE2 3.77Å; L191-Y195 HydrophobicContact CD2-CE2 4.29Å; L191-Y195 WeakPolarHBondContact CD2-OH 3.41Å; L191-Y195 WeakPolarHBondContact O-CD2 3.41Å; L191-Y195 PolarHBondContact O-N 3.34Å |
| 192 | A | 85.5 | Confident | 85 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -51.2 | -56.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N135 T188 W194 Y195 W196 | N135-A192 WeakPolarHBondContact ND2-CA 3.11Å; N135-A192 VanDerWaalsContact ND2-CB 3.29Å; N135-A192 WeakPolarHBondContact ND2-CB 3.47Å; T188-A192 PolarHBondContact O-N 3.43Å; A192-W194 PolarHBondContact O-N 2.94Å; A192-Y195 PolarHBondContact O-N 3.24Å; A192-W196 PolarHBondContact O-N 3.02Å |
| 193 | P | 88.1 | Confident | 86.4 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -28.6 | 178 | 24.6 | -35 | 0 | 0 | 0 | 112.5 | Q189 L190 S197 | Q189-P193 WeakPolarHBondContact O-CD 3.24Å; L190-P193 WeakPolarHBondContact O-CD 3.41Å; L190-P193 WeakPolarHBondContact O-CG 3.46Å; P193-S197 PolarHBondContact O-N 2.98Å; P193-S197 PolarHBondContact O-OG 3.49Å |
| 194 | W | 90.1 | Very high | 87.7 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.9 | -42.3 | -178 | -61.2 | -3 | 0 | 0 | 0 | 111.6 | D33 G34 S37 L190 L191 A192 W196 S197 A198 | D33-W194 HydrophobicContact CB-CD2 4.31Å; D33-W194 HydrophobicContact CB-CE3 4.14Å; D33-W194 HydrophobicContact CB-CH2 3.78Å; D33-W194 HydrophobicContact CB-CZ2 4.03Å; D33-W194 HydrophobicContact CB-CZ3 3.89Å; D33-W194 WeakPolarHBondContact O-CH2 3.4Å; D33-W194 WeakPolarHBondContact O-CZ3 3.47Å; G34-W194 VanDerWaalsContact CA-CE3 3.47Å; G34-W194 VanDerWaalsContact CA-CZ3 3.49Å; S37-W194 WeakPolarHBondContact OG-CH2 3.5Å; S37-W194 WeakPolarHBondContact OG-CZ3 3.43Å; L190-W194 HydrophobicContact CD1-CZ2 4.5Å; L190-W194 HydrophobicContact CD2-CH2 4.43Å; L190-W194 HydrophobicContact CG-CH2 4.46Å; L190-W194 HydrophobicContact CG-CZ2 4.36Å; L191-W194 HydrophobicContact CD1-CE3 4.37Å; L191-W194 HydrophobicContact CD1-CZ3 4.4Å; L191-W194 HydrophobicContact CG-CE3 4.27Å; L191-W194 WeakPolarHBondContact O-CB 3.35Å; L191-W194 PolarHBondContact O-N 3.36Å; A192-W194 PolarHBondContact O-N 2.94Å; W194-W196 VanDerWaalsContact C-N 3.35Å; W194-W196 PolarHBondContact O-N 3.32Å; W194-S197 WeakPolarHBondContact CA-OG 3.4Å; W194-S197 PolarHBondContact O-N 3.29Å; W194-S197 PolarHBondContact O-OG 2.95Å; W194-A198 WeakPolarHBondContact O-CB 3.41Å; W194-A198 PolarHBondContact O-N 2.76Å |
| 195 | Y | 90.2 | Very high | 88.9 | Confident | 52 Ų | 52 | 49.6 Ų | 49.6 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 173.9 | -64.8 | -48.4 | 0 | 0 | 0 | 112.6 | L131 N135 L191 A192 A198 L199 | L131-Y195 HydrophobicContact CB-CD1 4.23Å; L131-Y195 HydrophobicContact CB-CE1 4.01Å; L131-Y195 HydrophobicContact CD1-CE1 3.96Å; L131-Y195 HydrophobicContact CG-CE1 4.48Å; N135-Y195 HydrophobicContact CB-CD2 4.21Å; N135-Y195 HydrophobicContact CB-CE2 4.29Å; L191-Y195 HydrophobicContact CB-CD2 4.28Å; L191-Y195 HydrophobicContact CB-CE2 3.77Å; L191-Y195 HydrophobicContact CD2-CE2 4.29Å; L191-Y195 WeakPolarHBondContact CD2-OH 3.41Å; L191-Y195 WeakPolarHBondContact O-CD2 3.41Å; L191-Y195 PolarHBondContact O-N 3.34Å; A192-Y195 PolarHBondContact O-N 3.24Å; Y195-A198 PolarHBondContact O-N 2.92Å; Y195-L199 PolarHBondContact O-N 3.44Å |
| 196 | W | 92.5 | Very high | 89.8 | Confident | 117 Ų | 117 | 49.4 Ų | 49.4 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 175 | -75.5 | 110.7 | 0 | 0 | 0 | 112.2 | I132 A192 W194 A198 L199 F200 | I132-W196 HydrophobicContact CG2-CH2 4.44Å; I132-W196 HydrophobicContact CG2-CZ2 4.15Å; A192-W196 PolarHBondContact O-N 3.02Å; W194-W196 VanDerWaalsContact C-N 3.35Å; W194-W196 PolarHBondContact O-N 3.32Å; W196-A198 VanDerWaalsContact C-N 3.35Å; W196-A198 PolarHBondContact O-N 3.4Å; W196-L199 HydrophobicContact CE3-CD2 3.9Å; W196-L199 HydrophobicContact CZ3-CD2 3.89Å; W196-L199 WeakPolarHBondContact O-CB 3.48Å; W196-L199 PolarHBondContact O-N 3.32Å; W196-F200 WeakPolarHBondContact O-CD2 3.31Å; W196-F200 PolarHBondContact O-N 2.86Å; W196-F200 VanDerWaalsContact O-N 3.12Å |
| 197 | S | 93.6 | Very high | 90.7 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 176.7 | 62 | 0 | 0 | 0 | 0 | 113 | K30 P193 W194 L199 F200 G201 | K30-S197 WeakPolarHBondContact CD-OG 3.21Å; K30-S197 WeakPolarHBondContact CG-OG 3.47Å; P193-S197 PolarHBondContact O-N 2.98Å; P193-S197 PolarHBondContact O-OG 3.49Å; W194-S197 WeakPolarHBondContact CA-OG 3.4Å; W194-S197 PolarHBondContact O-N 3.29Å; W194-S197 PolarHBondContact O-OG 2.95Å; S197-L199 VanDerWaalsContact C-N 3.33Å; S197-F200 PolarHBondContact O-N 2.82Å; S197-G201 PolarHBondContact O-N 2.87Å |
| 198 | A | 93.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -36.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | F27 K30 W194 Y195 W196 G201 C202 | F27-A198 HydrophobicContact CD2-CB 4.05Å; F27-A198 HydrophobicContact CE2-CB 4.31Å; K30-A198 HydrophobicContact CB-CB 4.49Å; W194-A198 WeakPolarHBondContact O-CB 3.41Å; W194-A198 PolarHBondContact O-N 2.76Å; Y195-A198 PolarHBondContact O-N 2.92Å; W196-A198 VanDerWaalsContact C-N 3.35Å; W196-A198 PolarHBondContact O-N 3.4Å; A198-G201 PolarHBondContact O-N 3.16Å; A198-C202 WeakPolarHBondContact O-CB 3.48Å; A198-C202 PolarHBondContact O-N 2.89Å |
| 199 | L | 95 | Very high | 92.2 | Very high | 25 Ų | 25 | 45 Ų | 45 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -50.5 | 173.1 | -177.2 | 73.2 | 0 | 0 | 0 | 111.3 | L125 I128 V129 I132 Y195 W196 S197 G201 C202 L203 | L125-L199 HydrophobicContact CD1-CD1 3.49Å; L125-L199 VanDerWaalsContact CD1-CD1 3.49Å; I128-L199 HydrophobicContact CG2-CB 4.12Å; I128-L199 HydrophobicContact CG2-CD1 4.17Å; V129-L199 HydrophobicContact CG2-CD1 4.31Å; I132-L199 HydrophobicContact CD1-CB 3.98Å; I132-L199 HydrophobicContact CD1-CD1 4.29Å; I132-L199 HydrophobicContact CD1-CD2 3.97Å; I132-L199 HydrophobicContact CD1-CG 4.31Å; Y195-L199 PolarHBondContact O-N 3.44Å; W196-L199 HydrophobicContact CE3-CD2 3.9Å; W196-L199 HydrophobicContact CZ3-CD2 3.89Å; W196-L199 WeakPolarHBondContact O-CB 3.48Å; W196-L199 PolarHBondContact O-N 3.32Å; S197-L199 VanDerWaalsContact C-N 3.33Å; L199-G201 VanDerWaalsContact C-N 3.32Å; L199-G201 PolarHBondContact O-N 2.94Å; L199-C202 PolarHBondContact O-N 3.44Å; L199-L203 HydrophobicContact CG-CD1 4.21Å; L199-L203 WeakPolarHBondContact O-CG 3.39Å; L199-L203 PolarHBondContact O-N 3.03Å |
| 200 | F | 95.7 | Very high | 92.9 | Very high | 135 Ų | 135 | 41.9 Ų | 41.9 | 59% | 0.592 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.7 | -40.1 | 177.5 | -71.1 | -63.6 | 0 | 0 | 0 | 112.3 | W196 S197 L203 A204 | W196-F200 WeakPolarHBondContact O-CD2 3.31Å; W196-F200 PolarHBondContact O-N 2.86Å; W196-F200 VanDerWaalsContact O-N 3.12Å; S197-F200 PolarHBondContact O-N 2.82Å; F200-L203 PolarHBondContact O-N 2.99Å; F200-A204 WeakPolarHBondContact O-CB 3.23Å; F200-A204 PolarHBondContact O-N 3.36Å |
| 201 | G | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | G23 S197 A198 L199 L203 A204 V205 | G23-G201 WeakPolarHBondContact CA-O 3.29Å; S197-G201 PolarHBondContact O-N 2.87Å; A198-G201 PolarHBondContact O-N 3.16Å; L199-G201 VanDerWaalsContact C-N 3.32Å; L199-G201 PolarHBondContact O-N 2.94Å; G201-L203 PolarHBondContact O-N 3.49Å; G201-A204 WeakPolarHBondContact O-CB 3.28Å; G201-A204 PolarHBondContact O-N 3.38Å; G201-V205 WeakPolarHBondContact O-CG2 3.21Å; G201-V205 PolarHBondContact O-N 3.47Å |
| 202 | C | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 178.4 | -171 | 0 | 0 | 0 | 0 | 112.5 | W121 L125 I128 A198 L199 V205 L206 | W121-C202 HydrophobicContact CE3-CB 4.37Å; W121-C202 HydrophobicContact CZ3-CB 4.29Å; L125-C202 HydrophobicContact CD1-CB 4.43Å; I128-C202 HydrophobicContact CD1-CB 3.76Å; A198-C202 WeakPolarHBondContact O-CB 3.48Å; A198-C202 PolarHBondContact O-N 2.89Å; L199-C202 PolarHBondContact O-N 3.44Å; C202-V205 PolarHBondContact O-N 3.1Å; C202-L206 WeakPolarHBondContact O-CG 3.3Å; C202-L206 PolarHBondContact O-N 3.48Å |
| 203 | L | 96.2 | Very high | 94.2 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 36% | 0.361 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63 | -41.5 | 175.8 | -71.3 | 173.8 | 0 | 0 | 0 | 111.7 | L125 L199 F200 G201 V205 L206 L207 | L125-L203 HydrophobicContact CD1-CD2 4.17Å; L125-L203 HydrophobicContact CD1-CG 4.46Å; L125-L203 HydrophobicContact CD2-CD2 4.33Å; L199-L203 HydrophobicContact CG-CD1 4.21Å; L199-L203 WeakPolarHBondContact O-CG 3.39Å; L199-L203 PolarHBondContact O-N 3.03Å; F200-L203 PolarHBondContact O-N 2.99Å; G201-L203 PolarHBondContact O-N 3.49Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 3.36Å; L203-L206 PolarHBondContact O-N 2.92Å; L203-L207 WeakPolarHBondContact O-CB 3.14Å; L203-L207 WeakPolarHBondContact O-CG 3.47Å; L203-L207 PolarHBondContact O-N 3.47Å |
| 204 | A | 96.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 42 Ų | 42 | 20% | 0.198 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V19 F200 G201 L207 G208 | V19-A204 HydrophobicContact CG1-CB 4.22Å; V19-A204 VanDerWaalsContact CG1-O 3.31Å; V19-A204 WeakPolarHBondContact CG1-O 3.42Å; F200-A204 WeakPolarHBondContact O-CB 3.23Å; F200-A204 PolarHBondContact O-N 3.36Å; G201-A204 WeakPolarHBondContact O-CB 3.28Å; G201-A204 PolarHBondContact O-N 3.38Å; A204-L207 PolarHBondContact O-N 2.9Å; A204-G208 PolarHBondContact O-N 3.46Å |
| 205 | V | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 112 | G23 I24 M67 W121 G201 C202 L203 L207 G208 L209 | G23-V205 VanDerWaalsContact C-CG2 3.48Å; I24-V205 HydrophobicContact CG1-CG1 4.49Å; I24-V205 HydrophobicContact CG1-CG2 3.75Å; M67-V205 HydrophobicContact CE-CG1 4.2Å; W121-V205 HydrophobicContact CD2-CB 4.03Å; W121-V205 HydrophobicContact CD2-CG1 3.58Å; W121-V205 VanDerWaalsContact CE2-CG1 3.47Å; W121-V205 HydrophobicContact CE3-CB 3.92Å; W121-V205 HydrophobicContact CE3-CG1 4.02Å; W121-V205 HydrophobicContact CE3-CG2 4.35Å; W121-V205 HydrophobicContact CG-CG1 3.99Å; W121-V205 HydrophobicContact CH2-CB 4.18Å; W121-V205 HydrophobicContact CH2-CG1 4.22Å; W121-V205 HydrophobicContact CH2-CG2 3.75Å; W121-V205 HydrophobicContact CZ2-CB 4.28Å; W121-V205 HydrophobicContact CZ2-CG1 3.81Å; W121-V205 HydrophobicContact CZ2-CG2 4.07Å; W121-V205 HydrophobicContact CZ3-CB 4Å; W121-V205 HydrophobicContact CZ3-CG1 4.32Å; W121-V205 HydrophobicContact CZ3-CG2 3.91Å; G201-V205 WeakPolarHBondContact O-CG2 3.21Å; G201-V205 PolarHBondContact O-N 3.47Å; C202-V205 PolarHBondContact O-N 3.1Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-V205 PolarHBondContact O-N 3.36Å; V205-L207 VanDerWaalsContact C-N 3.33Å; V205-L207 PolarHBondContact O-N 3.26Å; V205-G208 PolarHBondContact O-N 2.96Å; V205-L209 HydrophobicContact CG1-CD1 3.85Å; V205-L209 HydrophobicContact CG1-CG 4.13Å; V205-L209 WeakPolarHBondContact O-CB 3.33Å; V205-L209 WeakPolarHBondContact O-CG 3.21Å; V205-L209 PolarHBondContact O-N 3.01Å |
| 206 | L | 96.5 | Very high | 94.5 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 176.9 | -73.9 | 169 | 0 | 0 | 0 | 112.3 | N118 W121 L122 L125 C202 L203 S210 | N118-L206 WeakPolarHBondContact OD1-CD2 3.26Å; W121-L206 HydrophobicContact CB-CD2 3.61Å; W121-L206 HydrophobicContact CB-CG 4.16Å; L122-L206 HydrophobicContact CD1-CD1 4.46Å; L122-L206 HydrophobicContact CD1-CD2 4.26Å; L125-L206 HydrophobicContact CB-CD1 4.22Å; L125-L206 HydrophobicContact CD2-CD1 3.73Å; L125-L206 HydrophobicContact CG-CD1 4.43Å; C202-L206 WeakPolarHBondContact O-CG 3.3Å; C202-L206 PolarHBondContact O-N 3.48Å; L203-L206 PolarHBondContact O-N 2.92Å; L206-S210 WeakPolarHBondContact O-CB 3.45Å; L206-S210 PolarHBondContact O-N 3.46Å; L206-S210 PolarHBondContact O-OG 3.29Å |
| 207 | L | 95.8 | Very high | 94.4 | Very high | 108 Ų | 108 | 35 Ų | 35 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.2 | -46.9 | 175 | -73.5 | 171.7 | 0 | 0 | 0 | 111.4 | L203 A204 V205 L209 S210 H211 | L203-L207 WeakPolarHBondContact O-CB 3.14Å; L203-L207 WeakPolarHBondContact O-CG 3.47Å; L203-L207 PolarHBondContact O-N 3.47Å; A204-L207 PolarHBondContact O-N 2.9Å; V205-L207 VanDerWaalsContact C-N 3.33Å; V205-L207 PolarHBondContact O-N 3.26Å; L207-L209 PolarHBondContact O-N 3.4Å; L207-S210 PolarHBondContact O-N 3.17Å; L207-H211 PolarHBondContact O-CD2 3.15Å; L207-H211 PolarHBondContact O-N 2.72Å |
| 208 | G | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C20 A204 V205 S210 H211 F212 | C20-G208 VanDerWaalsContact SG-CA 3.54Å; A204-G208 PolarHBondContact O-N 3.46Å; V205-G208 PolarHBondContact O-N 2.96Å; G208-S210 VanDerWaalsContact C-N 3.34Å; G208-S210 PolarHBondContact O-N 3.05Å; G208-H211 WeakPolarHBondContact O-CB 3.44Å; G208-H211 PolarHBondContact O-N 3.49Å; G208-F212 VanDerWaalsContact O-CD2 3.28Å; G208-F212 WeakPolarHBondContact O-CD2 3.45Å; G208-F212 PolarHBondContact O-N 3.05Å |
| 209 | L | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 175 | -72.8 | 175.1 | 0 | 0 | 0 | 112.3 | M67 T71 T114 L117 W121 V205 L207 H211 F212 N213 | M67-L209 HydrophobicContact CE-CD1 3.77Å; M67-L209 HydrophobicContact CE-CD2 3.68Å; M67-L209 HydrophobicContact CE-CG 4.1Å; T71-L209 HydrophobicContact CG2-CD2 4.48Å; T114-L209 HydrophobicContact CG2-CB 4.39Å; T114-L209 HydrophobicContact CG2-CD2 4.09Å; T114-L209 VanDerWaalsContact CG2-O 3.32Å; T114-L209 WeakPolarHBondContact CG2-O 3.38Å; L117-L209 HydrophobicContact CB-CD1 4.16Å; L117-L209 HydrophobicContact CB-CD2 4.44Å; W121-L209 HydrophobicContact CG-CD1 4.21Å; V205-L209 HydrophobicContact CG1-CD1 3.85Å; V205-L209 HydrophobicContact CG1-CG 4.13Å; V205-L209 WeakPolarHBondContact O-CB 3.33Å; V205-L209 WeakPolarHBondContact O-CG 3.21Å; V205-L209 PolarHBondContact O-N 3.01Å; L207-L209 PolarHBondContact O-N 3.4Å; L209-H211 VanDerWaalsContact C-N 3.34Å; L209-F212 PolarHBondContact O-N 3.42Å; L209-N213 WeakPolarHBondContact O-CB 3.4Å; L209-N213 PolarHBondContact O-N 3.31Å |
| 210 | S | 95.2 | Very high | 93.7 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 42% | 0.42 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66 | -38.2 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | N118 L206 L207 G208 N213 G214 | N118-S210 PolarHBondContact ND2-OG 3.25Å; L206-S210 WeakPolarHBondContact O-CB 3.45Å; L206-S210 PolarHBondContact O-N 3.46Å; L206-S210 PolarHBondContact O-OG 3.29Å; L207-S210 PolarHBondContact O-N 3.17Å; G208-S210 VanDerWaalsContact C-N 3.34Å; G208-S210 PolarHBondContact O-N 3.05Å; S210-N213 WeakPolarHBondContact O-CB 3.31Å; S210-N213 PolarHBondContact O-N 2.87Å; S210-G214 PolarHBondContact O-N 3.46Å |
| 211 | H | 93.8 | Very high | 93.4 | Very high | 112 Ų | 112 | 32.9 Ų | 32.9 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 170.9 | -90.1 | -79.7 | 0 | 0 | 0 | 112.3 | A16 L207 G208 L209 N213 G214 C215 | A16-H211 HydrophobicContact CB-CB 3.77Å; L207-H211 PolarHBondContact O-CD2 3.15Å; L207-H211 PolarHBondContact O-N 2.72Å; G208-H211 WeakPolarHBondContact O-CB 3.44Å; G208-H211 PolarHBondContact O-N 3.49Å; L209-H211 VanDerWaalsContact C-N 3.34Å; H211-N213 VanDerWaalsContact C-N 3.29Å; H211-N213 PolarHBondContact O-N 2.99Å; H211-G214 PolarHBondContact O-N 3.07Å; H211-C215 PolarHBondContact O-N 2.89Å; H211-C215 PolarHBondContact O-SG 3.44Å; H211-C215 VanDerWaalsContact O-SG 3.36Å |
| 212 | F | 93.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 173.7 | -83.6 | -62.5 | 0 | 0 | 0 | 112 | A16 L17 M74 C75 T114 G208 L209 G214 C215 L216 | A16-F212 HydrophobicContact CB-CD1 4.24Å; A16-F212 HydrophobicContact CB-CD2 3.8Å; A16-F212 HydrophobicContact CB-CE1 4.13Å; A16-F212 HydrophobicContact CB-CE2 3.68Å; A16-F212 HydrophobicContact CB-CG 4.08Å; A16-F212 HydrophobicContact CB-CZ 3.85Å; L17-F212 HydrophobicContact CB-CZ 3.96Å; L17-F212 HydrophobicContact CD1-CZ 4.41Å; M74-F212 HydrophobicContact CB-CD1 4.19Å; M74-F212 HydrophobicContact CB-CE1 4.23Å; C75-F212 HydrophobicContact CB-CE1 4.1Å; C75-F212 HydrophobicContact CB-CZ 4.25Å; T114-F212 HydrophobicContact CG2-CB 3.98Å; G208-F212 VanDerWaalsContact O-CD2 3.28Å; G208-F212 WeakPolarHBondContact O-CD2 3.45Å; G208-F212 PolarHBondContact O-N 3.05Å; L209-F212 PolarHBondContact O-N 3.42Å; F212-G214 VanDerWaalsContact C-N 3.33Å; F212-G214 PolarHBondContact O-N 3.02Å; F212-C215 PolarHBondContact O-N 3.26Å; F212-L216 WeakPolarHBondContact O-CB 3.43Å; F212-L216 VanDerWaalsContact O-CG 3.28Å; F212-L216 WeakPolarHBondContact O-CG 3.42Å; F212-L216 PolarHBondContact O-N 3.5Å |
| 213 | N | 93.3 | Very high | 92.2 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 177.3 | -160.1 | 40.2 | 0 | 0 | 0 | 111.2 | W111 T114 L209 S210 H211 A217 | W111-N213 PolarHBondContact NE1-OD1 3.03Å; T114-N213 HydrophobicContact CG2-CB 4.22Å; L209-N213 WeakPolarHBondContact O-CB 3.4Å; L209-N213 PolarHBondContact O-N 3.31Å; S210-N213 WeakPolarHBondContact O-CB 3.31Å; S210-N213 PolarHBondContact O-N 2.87Å; H211-N213 VanDerWaalsContact C-N 3.29Å; H211-N213 PolarHBondContact O-N 2.99Å; N213-A217 WeakPolarHBondContact O-CB 3.25Å; N213-A217 PolarHBondContact O-N 3.42Å |
| 214 | G | 92.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 44% | 0.443 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S210 H211 F212 L216 A217 A218 | S210-G214 PolarHBondContact O-N 3.46Å; H211-G214 PolarHBondContact O-N 3.07Å; F212-G214 VanDerWaalsContact C-N 3.33Å; F212-G214 PolarHBondContact O-N 3.02Å; G214-L216 PolarHBondContact O-N 3.37Å; G214-A217 PolarHBondContact O-N 3.18Å; G214-A218 WeakPolarHBondContact O-CB 3.44Å; G214-A218 PolarHBondContact O-N 3.16Å |
| 215 | C | 91.6 | Very high | 90.8 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.5 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | H211 F212 A218 N219 | H211-C215 PolarHBondContact O-N 2.89Å; H211-C215 PolarHBondContact O-SG 3.44Å; H211-C215 VanDerWaalsContact O-SG 3.36Å; F212-C215 PolarHBondContact O-N 3.26Å; C215-A218 PolarHBondContact O-N 3.41Å; C215-N219 WeakPolarHBondContact O-CB 3.48Å; C215-N219 VanDerWaalsContact O-CG 3.28Å; C215-N219 PolarHBondContact O-N 2.98Å; C215-N219 PolarHBondContact O-ND2 2.99Å |
| 216 | L | 90.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.8 | -39.9 | 179.3 | -71 | 168.7 | 0 | 0 | 0 | 111.8 | V77 F110 W111 T114 F212 G214 N219 F220 | V77-L216 HydrophobicContact CG1-CD2 4.49Å; F110-L216 HydrophobicContact CB-CD1 4.2Å; F110-L216 HydrophobicContact CB-CD2 4.47Å; W111-L216 HydrophobicContact CB-CB 4.26Å; T114-L216 WeakPolarHBondContact OG1-CD1 3.05Å; F212-L216 WeakPolarHBondContact O-CB 3.43Å; F212-L216 VanDerWaalsContact O-CG 3.28Å; F212-L216 WeakPolarHBondContact O-CG 3.42Å; F212-L216 PolarHBondContact O-N 3.5Å; G214-L216 PolarHBondContact O-N 3.37Å; L216-N219 PolarHBondContact O-N 3.01Å; L216-F220 WeakPolarHBondContact O-CB 3.35Å; L216-F220 PolarHBondContact O-N 3.23Å |
| 217 | A | 91.4 | Very high | 88.8 | Confident | 34 Ų | 34 | 43 Ų | 43 | 28% | 0.281 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W111 N213 G214 F220 A221 | W111-A217 HydrophobicContact CZ2-CB 4.44Å; N213-A217 WeakPolarHBondContact O-CB 3.25Å; N213-A217 PolarHBondContact O-N 3.42Å; G214-A217 PolarHBondContact O-N 3.18Å; A217-F220 PolarHBondContact O-N 2.8Å; A217-A221 PolarHBondContact O-N 3.09Å |
| 218 | A | 90.3 | Very high | 87.9 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G214 C215 F220 A221 H222 | G214-A218 WeakPolarHBondContact O-CB 3.44Å; G214-A218 PolarHBondContact O-N 3.16Å; C215-A218 PolarHBondContact O-N 3.41Å; A218-F220 VanDerWaalsContact C-N 3.34Å; A218-F220 PolarHBondContact O-N 2.85Å; A218-A221 PolarHBondContact O-N 3.35Å; A218-H222 WeakPolarHBondContact O-CB 3.27Å; A218-H222 PolarHBondContact O-CD2 2.96Å; A218-H222 PolarHBondContact O-N 3.48Å |
| 219 | N | 89.3 | Confident | 87 | Confident | 18 Ų | 18 | 51 Ų | 51 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -42.6 | 177.2 | -75.8 | -19 | 0 | 0 | 0 | 111.9 | A81 C215 L216 A221 H222 V223 | A81-N219 HydrophobicContact CB-CB 4.09Å; C215-N219 WeakPolarHBondContact O-CB 3.48Å; C215-N219 VanDerWaalsContact O-CG 3.28Å; C215-N219 PolarHBondContact O-N 2.98Å; C215-N219 PolarHBondContact O-ND2 2.99Å; L216-N219 PolarHBondContact O-N 3.01Å; N219-A221 PolarHBondContact O-N 3.35Å; N219-H222 PolarHBondContact O-N 3.49Å; N219-V223 VanDerWaalsContact O-CG2 3.27Å; N219-V223 WeakPolarHBondContact O-CG2 3.27Å; N219-V223 PolarHBondContact O-N 3.27Å |
| 220 | F | 87.7 | Confident | 85.9 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 21% | 0.211 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 177 | 176.9 | -99 | 0 | 0 | 0 | 112.4 | R104 C107 A108 L216 A217 A218 K224 | R104-F220 HydrophobicContact CG-CD2 3.76Å; R104-F220 HydrophobicContact CG-CE2 3.42Å; R104-F220 VanDerWaalsContact CG-CE2 3.42Å; R104-F220 HydrophobicContact CG-CZ 4.32Å; C107-F220 HydrophobicContact CB-CB 4.39Å; A108-F220 HydrophobicContact CB-CD2 4.13Å; A108-F220 HydrophobicContact CB-CE2 3.86Å; L216-F220 WeakPolarHBondContact O-CB 3.35Å; L216-F220 PolarHBondContact O-N 3.23Å; A217-F220 PolarHBondContact O-N 2.8Å; A218-F220 VanDerWaalsContact C-N 3.34Å; A218-F220 PolarHBondContact O-N 2.85Å; F220-K224 PolarHBondContact O-N 3.42Å |
| 221 | A | 88.3 | Confident | 84.8 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A217 A218 N219 V223 K224 H225 | A217-A221 PolarHBondContact O-N 3.09Å; A218-A221 PolarHBondContact O-N 3.35Å; N219-A221 PolarHBondContact O-N 3.35Å; A221-V223 PolarHBondContact O-N 3.37Å; A221-K224 WeakPolarHBondContact O-CB 3.41Å; A221-K224 PolarHBondContact O-N 3.12Å; A221-K224 VanDerWaalsContact O-N 3.15Å; A221-H225 PolarHBondContact O-CD2 3.14Å; A221-H225 PolarHBondContact O-N 3.37Å; A221-H225 VanDerWaalsContact O-N 3.1Å |
| 222 | H | 85.7 | Confident | 83.9 | Confident | 92 Ų | 92 | 55.8 Ų | 55.8 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | -178.5 | -85.8 | -68.1 | 0 | 0 | 0 | 113.1 | L85 A218 N219 K224 H225 A226 | L85-H222 VanDerWaalsContact CD1-C 3.46Å; L85-H222 HydrophobicContact CD1-CB 3.75Å; L85-H222 HydrophobicContact CD2-CB 3.63Å; L85-H222 HydrophobicContact CG-CB 4.33Å; A218-H222 WeakPolarHBondContact O-CB 3.27Å; A218-H222 PolarHBondContact O-CD2 2.96Å; A218-H222 PolarHBondContact O-N 3.48Å; N219-H222 PolarHBondContact O-N 3.49Å; H222-K224 VanDerWaalsContact C-N 3.27Å; H222-K224 PolarHBondContact O-N 3.41Å; H222-H225 PolarHBondContact O-N 2.83Å; H222-H225 VanDerWaalsContact O-N 3.14Å; H222-A226 WeakPolarHBondContact O-CB 3.47Å; H222-A226 PolarHBondContact O-N 3.1Å |
| 223 | V | 81.4 | Confident | 83 | Confident | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 176.4 | 170.2 | 0 | 0 | 0 | 0 | 111 | L85 R104 N219 A221 A226 C227 | L85-V223 HydrophobicContact CD1-CB 4.35Å; L85-V223 HydrophobicContact CD1-CG2 3.76Å; R104-V223 HydrophobicContact CB-CG1 4.18Å; N219-V223 VanDerWaalsContact O-CG2 3.27Å; N219-V223 WeakPolarHBondContact O-CG2 3.27Å; N219-V223 PolarHBondContact O-N 3.27Å; A221-V223 PolarHBondContact O-N 3.37Å; V223-A226 PolarHBondContact O-N 3.26Å; V223-C227 PolarHBondContact O-N 3.15Å; V223-C227 VanDerWaalsContact O-N 3.12Å |
| 224 | K | 80.5 | Confident | 81.8 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 174.6 | -178.5 | -173.5 | 177.3 | -174.7 | 0 | 111.7 | F220 A221 H222 R228 | F220-K224 PolarHBondContact O-N 3.42Å; A221-K224 WeakPolarHBondContact O-CB 3.41Å; A221-K224 PolarHBondContact O-N 3.12Å; A221-K224 VanDerWaalsContact O-N 3.15Å; H222-K224 VanDerWaalsContact C-N 3.27Å; H222-K224 PolarHBondContact O-N 3.41Å; K224-R228 PolarHBondContact O-N 2.07Å |
| 225 | H | 81.5 | Confident | 80.3 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.8 | -42.1 | 178.1 | -69.8 | -69.3 | 0 | 0 | 0 | 112.2 | A221 H222 C227 R228 Y229 | A221-H225 PolarHBondContact O-CD2 3.14Å; A221-H225 PolarHBondContact O-N 3.37Å; A221-H225 VanDerWaalsContact O-N 3.1Å; H222-H225 PolarHBondContact O-N 2.83Å; H222-H225 VanDerWaalsContact O-N 3.14Å; H225-C227 PolarHBondContact O-N 3.05Å; H225-R228 PolarHBondContact O-N 2.72Å; H225-R228 VanDerWaalsContact O-N 3.14Å; H225-Y229 PolarHBondContact O-N 3.12Å |
| 226 | A | 77 | Confident | 78.9 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L85 A88 Y89 H222 V223 R228 Y229 Q230 | L85-A226 HydrophobicContact CD1-CB 3.95Å; A88-A226 HydrophobicContact CB-CB 4.36Å; Y89-A226 HydrophobicContact CE2-CB 3.97Å; H222-A226 WeakPolarHBondContact O-CB 3.47Å; H222-A226 PolarHBondContact O-N 3.1Å; V223-A226 PolarHBondContact O-N 3.26Å; A226-R228 VanDerWaalsContact C-N 3.34Å; A226-R228 PolarHBondContact O-N 2.82Å; A226-Y229 PolarHBondContact O-N 2.96Å; A226-Q230 PolarHBondContact O-N 3.44Å |
| 227 | C | 73.7 | Confident | 77.3 | Confident | 29 Ų | 29 | 74.7 Ų | 74.7 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 175.1 | -86.4 | 0 | 0 | 0 | 0 | 112.3 | V223 H225 K231 C262 | V223-C227 PolarHBondContact O-N 3.15Å; V223-C227 VanDerWaalsContact O-N 3.12Å; H225-C227 PolarHBondContact O-N 3.05Å; C227-K231 WeakPolarHBondContact O-CG 3.43Å; C227-K231 PolarHBondContact O-N 3.15Å; C227-K231 VanDerWaalsContact O-N 3.15Å; C227-C262 HydrophobicContact CB-CB 4.39Å; C227-C262 WeakPolarHBondContact CB-SG 3.38Å; C227-C262 WeakPolarHBondContact SG-CB 3.4Å; C227-C262 CovalentContact SG-SG 2.07Å; C227-C262 PolarHBondContact SG-SG 3.21Å |
| 228 | R | 77.6 | Confident | 75.7 | Confident | 148 Ų | 148 | 77 Ų | 77 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | 174.5 | -76.7 | -170.1 | -168.2 | -172.3 | 1.3 | 111.8 | K224 H225 A226 Q230 K231 I232 | K224-R228 PolarHBondContact O-N 2.07Å; H225-R228 PolarHBondContact O-N 2.72Å; H225-R228 VanDerWaalsContact O-N 3.14Å; A226-R228 VanDerWaalsContact C-N 3.34Å; A226-R228 PolarHBondContact O-N 2.82Å; R228-Q230 PolarHBondContact O-N 3.04Å; R228-K231 PolarHBondContact O-N 3.45Å; R228-I232 WeakPolarHBondContact O-CG1 3.17Å; R228-I232 PolarHBondContact O-N 3.5Å; R228-I232 VanDerWaalsContact O-N 3.13Å |
| 229 | Y | 75.5 | Confident | 74 | Confident | 127 Ų | 127 | 78 Ų | 78 | 50% | 0.498 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | -179.6 | -168.8 | -105.8 | 0 | 0 | 0 | 111.5 | Y89 H225 A226 K231 I232 L233 | Y89-Y229 HydrophobicContact CD1-CD1 4.43Å; Y89-Y229 HydrophobicContact CE1-CD1 4.29Å; H225-Y229 PolarHBondContact O-N 3.12Å; A226-Y229 PolarHBondContact O-N 2.96Å; Y229-K231 PolarHBondContact O-N 3.26Å; Y229-I232 PolarHBondContact O-N 3.27Å; Y229-L233 HydrophobicContact CD1-CD1 3.65Å; Y229-L233 HydrophobicContact CD1-CG 4.31Å; Y229-L233 HydrophobicContact CE1-CD1 3.28Å; Y229-L233 HydrophobicContact CE1-CG 4.02Å; Y229-L233 PolarHBondContact O-N 3.45Å |
| 230 | Q | 72.7 | Confident | 72.4 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 27% | 0.271 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 175 | -75 | -169 | -23.7 | 0 | 0 | 113.4 | A88 A226 R228 I232 L233 G234 | A88-Q230 PolarHBondContact O-NE2 2.78Å; A226-Q230 PolarHBondContact O-N 3.44Å; R228-Q230 PolarHBondContact O-N 3.04Å; Q230-I232 VanDerWaalsContact C-N 3.33Å; Q230-I232 PolarHBondContact O-N 2.87Å; Q230-L233 PolarHBondContact O-N 3.48Å; Q230-G234 PolarHBondContact O-N 3.49Å |
| 231 | K | 72.9 | Confident | 70.9 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 45% | 0.452 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.6 | -75.7 | 178.1 | -176.1 | -177.6 | 0 | 111.9 | C227 R228 Y229 F235 D265 | C227-K231 WeakPolarHBondContact O-CG 3.43Å; C227-K231 PolarHBondContact O-N 3.15Å; C227-K231 VanDerWaalsContact O-N 3.15Å; R228-K231 PolarHBondContact O-N 3.45Å; Y229-K231 PolarHBondContact O-N 3.26Å; K231-F235 PolarHBondContact O-N 2.68Å; K231-D265 WeakPolarHBondContact CE-OD2 3.35Å; K231-D265 IonicContact NZ-OD2 2.66Å; K231-D265 PolarHBondContact NZ-OD2 3.01Å |
| 232 | I | 75 | Confident | 68.6 | Low | 111 Ų | 111 | 86.8 Ų | 86.8 | 57% | 0.569 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.4 | -49.5 | 178.4 | -63.9 | 165.8 | 0 | 0 | 0 | 110.2 | R228 Y229 Q230 G234 F235 E236 | R228-I232 WeakPolarHBondContact O-CG1 3.17Å; R228-I232 PolarHBondContact O-N 3.5Å; R228-I232 VanDerWaalsContact O-N 3.13Å; Y229-I232 PolarHBondContact O-N 3.27Å; Q230-I232 VanDerWaalsContact C-N 3.33Å; Q230-I232 PolarHBondContact O-N 2.87Å; I232-G234 VanDerWaalsContact C-N 3.31Å; I232-G234 PolarHBondContact O-N 3.28Å; I232-F235 WeakPolarHBondContact O-CB 3.13Å; I232-F235 PolarHBondContact O-N 2.98Å; I232-F235 VanDerWaalsContact O-N 3.13Å; I232-E236 PolarHBondContact O-N 2.93Å |
| 233 | L | 73.6 | Confident | 66.2 | Low | 70 Ų | 70 | 94.2 Ų | 94.2 | 37% | 0.366 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 177.6 | -73.6 | 177.8 | 0 | 0 | 0 | 113.1 | Y229 Q230 F235 E236 K237 | Y229-L233 HydrophobicContact CD1-CD1 3.65Å; Y229-L233 HydrophobicContact CD1-CG 4.31Å; Y229-L233 HydrophobicContact CE1-CD1 3.28Å; Y229-L233 HydrophobicContact CE1-CG 4.02Å; Y229-L233 PolarHBondContact O-N 3.45Å; Q230-L233 PolarHBondContact O-N 3.48Å; L233-F235 VanDerWaalsContact C-N 3.35Å; L233-E236 PolarHBondContact O-N 3.43Å; L233-K237 PolarHBondContact O-N 3.14Å; L233-K237 VanDerWaalsContact O-N 3.08Å |
| 234 | G | 68.5 | Low | 64.4 | Low | 19 Ų | 19 | 102.5 Ų | 102.5 | 20% | 0.196 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q230 I232 S238 | Q230-G234 PolarHBondContact O-N 3.49Å; I232-G234 VanDerWaalsContact C-N 3.31Å; I232-G234 PolarHBondContact O-N 3.28Å; G234-S238 PolarHBondContact O-N 2.67Å; G234-S238 VanDerWaalsContact O-N 3.11Å |
| 235 | F | 62.2 | Low | 62 | Low | 127 Ų | 127 | 107.6 Ų | 107.6 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 175.3 | -136.9 | -88.1 | 0 | 0 | 0 | 111.5 | K231 I232 L233 K237 S238 T239 V246 | K231-F235 PolarHBondContact O-N 2.68Å; I232-F235 WeakPolarHBondContact O-CB 3.13Å; I232-F235 PolarHBondContact O-N 2.98Å; I232-F235 VanDerWaalsContact O-N 3.13Å; L233-F235 VanDerWaalsContact C-N 3.35Å; F235-K237 PolarHBondContact O-N 2.89Å; F235-S238 WeakPolarHBondContact O-CB 3.24Å; F235-S238 PolarHBondContact O-N 3.11Å; F235-S238 VanDerWaalsContact O-N 3.11Å; F235-T239 HydrophobicContact CD1-CG2 4.41Å; F235-T239 PolarHBondContact O-N 3.04Å; F235-T239 PolarHBondContact O-OG1 3.42Å; F235-V246 HydrophobicContact CE1-CG2 4.21Å |
| 236 | E | 60.8 | Low | 59.8 | Low | 123 Ų | 123 | 107.6 Ų | 107.6 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 179.8 | -162.3 | -177.3 | 159.6 | 0 | 0 | 112 | I232 L233 S238 T239 A240 | I232-E236 PolarHBondContact O-N 2.93Å; L233-E236 PolarHBondContact O-N 3.43Å; E236-S238 VanDerWaalsContact C-N 3.3Å; E236-S238 PolarHBondContact O-N 3.13Å; E236-T239 VanDerWaalsContact C-OG1 3.31Å; E236-T239 VanDerWaalsContact CA-OG1 3.22Å; E236-T239 WeakPolarHBondContact CA-OG1 3.37Å; E236-T239 PolarHBondContact O-N 3.38Å; E236-T239 PolarHBondContact O-OG1 3.08Å; E236-A240 PolarHBondContact O-N 3.01Å |
| 237 | K | 58.9 | Low | 57.5 | Low | 173 Ų | 173 | 111.7 Ų | 111.7 | 75% | 0.752 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.2 | -37.1 | 173.3 | -83.9 | -174.6 | 176.6 | 179.9 | 0 | 112.8 | L233 F235 | L233-K237 PolarHBondContact O-N 3.14Å; L233-K237 VanDerWaalsContact O-N 3.08Å; F235-K237 PolarHBondContact O-N 2.89Å |
| 238 | S | 57.7 | Low | 55.6 | Low | 84 Ų | 84 | 118.1 Ų | 118.1 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.8 | -37.2 | 176 | -116.5 | 0 | 0 | 0 | 0 | 112 | G234 F235 E236 N241 | G234-S238 PolarHBondContact O-N 2.67Å; G234-S238 VanDerWaalsContact O-N 3.11Å; F235-S238 WeakPolarHBondContact O-CB 3.24Å; F235-S238 PolarHBondContact O-N 3.11Å; F235-S238 VanDerWaalsContact O-N 3.11Å; E236-S238 VanDerWaalsContact C-N 3.3Å; E236-S238 PolarHBondContact O-N 3.13Å; S238-N241 PolarHBondContact O-N 2.95Å |
| 239 | T | 53.9 | Low | 53.4 | Low | 64 Ų | 64 | 119.2 Ų | 119.2 | 39% | 0.393 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.7 | -29.8 | 176.8 | 37.2 | 0 | 0 | 0 | 0 | 113.9 | F235 E236 N241 | F235-T239 HydrophobicContact CD1-CG2 4.41Å; F235-T239 PolarHBondContact O-N 3.04Å; F235-T239 PolarHBondContact O-OG1 3.42Å; E236-T239 VanDerWaalsContact C-OG1 3.31Å; E236-T239 VanDerWaalsContact CA-OG1 3.22Å; E236-T239 WeakPolarHBondContact CA-OG1 3.37Å; E236-T239 PolarHBondContact O-N 3.38Å; E236-T239 PolarHBondContact O-OG1 3.08Å; T239-N241 PolarHBondContact O-N 3.28Å |
| 240 | A | 56.2 | Low | 51.3 | Low | 87 Ų | 87 | 121 Ų | 121 | 72% | 0.719 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.9 | -21.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E236 | E236-A240 PolarHBondContact O-N 3.01Å |
| 241 | N | 55.9 | Low | 49.3 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 86% | 0.861 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 0.9 | -178 | -109.1 | 4.8 | 0 | 0 | 0 | 114.8 | S238 T239 | S238-N241 PolarHBondContact O-N 2.95Å; T239-N241 PolarHBondContact O-N 3.28Å |
| 242 | G | 39.7 | Very low | 47.1 | Very low | 42 Ų | 42 | 128.1 Ų | 128.1 | 43% | 0.433 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -176.2 | 123.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F244 | G242-F244 PolarHBondContact O-N 3.13Š|
| 243 | R | 34.6 | Very low | 45 | Very low | 249 Ų | 249 | 129.6 Ų | 129.6 | 94% | 0.94 | 68% | 0.677 | S | S | * | * | trans | -64.1 | 109.1 | -179.6 | -161 | -167.4 | -61.1 | -172.7 | 1.6 | 110.3 | ||||
| 244 | F | 44.6 | Very low | 42.8 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 82% | 0.82 | 71% | 0.705 | S | S | * | * | trans | -144.9 | 142.7 | 160.1 | -129.9 | -91.5 | 0 | 0 | 0 | 112.7 | G242 | G242-F244 PolarHBondContact O-N 3.13Š| ||
| 245 | K | 30.2 | Very low | 40.9 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -75.6 | 124.5 | -177 | -162.2 | 175.7 | -173.6 | 178.4 | 0 | 109 | S247 | K245-S247 PolarHBondContact O-N 3.09Š| ||
| 246 | V | 34.6 | Very low | 39.3 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 62% | 0.618 | 74% | 0.741 | S | S | * | * | trans | -71.2 | 98.9 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | F235 | F235-V246 HydrophobicContact CE1-CG2 4.21Š| ||
| 247 | S | 28.6 | Very low | 37.9 | Very low | 91 Ų | 91 | 141.9 Ų | 141.9 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -90.9 | 121.6 | 156.7 | 45.8 | 0 | 0 | 0 | 0 | 107.8 | K245 H249 | K245-S247 PolarHBondContact O-N 3.09Å; S247-H249 PolarHBondContact O-N 2.83Å | ||
| 248 | I | 34.7 | Very low | 36.6 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -68.2 | 89.5 | 166 | -58.8 | 175.3 | 0 | 0 | 0 | 105.6 | ||||
| 249 | H | 29.8 | Very low | 35.6 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -130.7 | 124 | 167 | -111.4 | -80.5 | 0 | 0 | 0 | 110.6 | S247 | S247-H249 PolarHBondContact O-N 2.83Š| ||
| 250 | E | 33.1 | Very low | 35 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -53.7 | 136.8 | 173.6 | -145.7 | 170.1 | 129.4 | 0 | 0 | 110.8 | ||||
| 251 | K | 28.8 | Very low | 34.2 | Very low | 189 Ų | 189 | 148.6 Ų | 148.6 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 75.2 | 97.2 | 170.5 | -55.4 | 176.8 | -178.8 | 175.4 | 0 | 117.6 | ||||
| 252 | S | 27.8 | Very low | 33.5 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | 178.2 | 133.8 | 114.9 | 60.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 253 | V | 31.8 | Very low | 33.6 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | trans | -114.2 | 110.5 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 254 | Y | 27.3 | Very low | 34.2 | Very low | 241 Ų | 241 | 134.7 Ų | 134.7 | 95% | 0.945 | 70% | 0.697 | S | S | * | * | trans | -148.1 | 128.2 | 159.2 | -109 | -83.5 | 0 | 0 | 0 | 109.1 | ||||
| 255 | G | 27.8 | Very low | 34 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | 113.5 | 97 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 256 | K | 29 | Very low | 34.3 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | trans | -59.4 | 156.1 | 174 | -106.7 | -175.2 | -177 | -162.5 | 0 | 113.1 | D258 | K256-D258 VanDerWaalsContact CE-OD1 3.24Å; K256-D258 WeakPolarHBondContact CE-OD1 3.41Å; K256-D258 IonicContact NZ-OD1 2.68Å; K256-D258 PolarHBondContact NZ-OD1 3.31Å | ||
| 257 | P | 31.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | -118.8 | 164.8 | 80.3 | 35.4 | -29 | 0 | 0 | 0 | 111.2 | M259 | P257-M259 VanDerWaalsContact C-N 3.3Å; P257-M259 PolarHBondContact O-N 3.45Å | |||
| 258 | D | 30.7 | Very low | 34.6 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 69% | 0.685 | S | S | * | * | trans | -54 | 74.2 | -166.4 | -61.4 | -57 | 0 | 0 | 0 | 116.2 | K256 I260 | K256-D258 VanDerWaalsContact CE-OD1 3.24Å; K256-D258 WeakPolarHBondContact CE-OD1 3.41Å; K256-D258 IonicContact NZ-OD1 2.68Å; K256-D258 PolarHBondContact NZ-OD1 3.31Å; D258-I260 PolarHBondContact O-N 2.76Å | ||
| 259 | M | 37.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 62% | 0.616 | 68% | 0.682 | S | S | * | * | trans | -68.8 | 115.1 | 154.8 | -80.6 | -151.6 | -102.7 | 0 | 0 | 106.8 | P257 K261 | P257-M259 VanDerWaalsContact C-N 3.3Å; P257-M259 PolarHBondContact O-N 3.45Å; M259-K261 PolarHBondContact O-N 3.01Å | ||
| 260 | I | 41.5 | Very low | 34.4 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 53% | 0.528 | 68% | 0.683 | S | S | . | * | trans | -47.2 | 105.2 | 168.5 | -63.4 | 170 | 0 | 0 | 0 | 106.5 | D258 C262 | D258-I260 PolarHBondContact O-N 2.76Å; I260-C262 PolarHBondContact O-N 3.01Å | ||
| 261 | K | 37.6 | Very low | 34.2 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 84% | 0.839 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 116.6 | 178.6 | -123.3 | 177.8 | -179.8 | -178 | 0 | 106.2 | M259 P263 | M259-K261 PolarHBondContact O-N 3.01Å; K261-P263 VanDerWaalsContact O-CD 3.27Å; K261-P263 WeakPolarHBondContact O-CD 3.22Å |
| 262 | C | 42.7 | Very low | 34.3 | Very low | 25 Ų | 25 | 130.3 Ų | 130.3 | 17% | 0.169 | 69% | 0.69 | C | S | . | * | P | Polyproline II helix | trans | -55.1 | 116.3 | 169.4 | -78.8 | 0 | 0 | 0 | 0 | 106 | C227 I260 N264 | C227-C262 HydrophobicContact CB-CB 4.39Å; C227-C262 WeakPolarHBondContact CB-SG 3.38Å; C227-C262 WeakPolarHBondContact SG-CB 3.4Å; C227-C262 CovalentContact SG-SG 2.07Å; C227-C262 PolarHBondContact SG-SG 3.21Å; I260-C262 PolarHBondContact O-N 3.01Å; C262-N264 PolarHBondContact O-N 2.92Å; C262-N264 VanDerWaalsContact O-N 3.12Å |
| 263 | P | 41.7 | Very low | 34.5 | Very low | 50 Ų | 50 | 127.8 Ų | 127.8 | 33% | 0.325 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.6 | 121.8 | -176.7 | 26.4 | -29.2 | 0 | 0 | 0 | 106.4 | K261 | K261-P263 VanDerWaalsContact O-CD 3.27Å; K261-P263 WeakPolarHBondContact O-CD 3.22Å |
| 264 | N | 47.5 | Very low | 34.7 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 46% | 0.455 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 93.1 | 29.2 | 174.9 | -40.1 | -49.4 | 0 | 0 | 0 | 118.3 | V105 C262 E266 | V105-N264 HydrophobicContact CG2-CB 3.65Å; V105-N264 WeakPolarHBondContact CG2-ND2 3.45Å; C262-N264 PolarHBondContact O-N 2.92Å; C262-N264 VanDerWaalsContact O-N 3.12Å; N264-E266 PolarHBondContact O-N 3.4Å |
| 265 | D | 39.4 | Very low | 35 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | trans | -75.9 | 39.8 | 167.5 | -97 | -12 | 0 | 0 | 0 | 113.7 | K231 | K231-D265 WeakPolarHBondContact CE-OD2 3.35Å; K231-D265 IonicContact NZ-OD2 2.66Å; K231-D265 PolarHBondContact NZ-OD2 3.01Å | ||
| 266 | E | 37.2 | Very low | 35.1 | Very low | 183 Ų | 183 | 123.5 Ų | 123.5 | 86% | 0.855 | 68% | 0.677 | S | S | * | * | trans | -110.3 | 34.3 | 165.6 | -149.3 | 171.6 | -164.2 | 0 | 0 | 110.3 | N264 T268 | N264-E266 PolarHBondContact O-N 3.4Å; E266-T268 PolarHBondContact O-N 3.11Å | ||
| 267 | V | 38.4 | Very low | 35.6 | Very low | 92 Ų | 92 | 125.5 Ų | 125.5 | 56% | 0.558 | 70% | 0.704 | S | S | * | * | trans | -91.5 | 94.9 | 165.7 | -177.1 | 0 | 0 | 0 | 0 | 107 | V269 | V267-V269 PolarHBondContact O-N 3.48Š| ||
| 268 | T | 31.6 | Very low | 35.8 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | trans | -42.8 | 108.7 | 167.6 | -45.9 | 0 | 0 | 0 | 0 | 109 | E266 L270 | E266-T268 PolarHBondContact O-N 3.11Å; T268-L270 PolarHBondContact O-N 3.16Å | ||
| 269 | V | 32.2 | Very low | 36.1 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 78% | 0.782 | 71% | 0.705 | S | S | * | * | trans | -71.4 | 89.9 | 168.9 | -177.9 | 0 | 0 | 0 | 0 | 105.6 | V267 R271 | V267-V269 PolarHBondContact O-N 3.48Å; V269-R271 PolarHBondContact O-N 2.93Å | ||
| 270 | L | 27 | Very low | 36 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 81% | 0.806 | 71% | 0.71 | S | S | * | * | trans | -61.7 | 88.4 | 159.8 | -90.9 | 155.9 | 0 | 0 | 0 | 106.6 | T268 L272 | T268-L270 PolarHBondContact O-N 3.16Å; L270-L272 PolarHBondContact O-N 3.22Å; L270-L272 VanDerWaalsContact O-N 3.09Å | ||
| 271 | R | 30.1 | Very low | 35.6 | Very low | 219 Ų | 219 | 127.7 Ų | 127.7 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | trans | -61.5 | 106.3 | 156.6 | -102.4 | -171.1 | 177.9 | 177.7 | -0.2 | 105.2 | V269 G273 | V269-R271 PolarHBondContact O-N 2.93Å; R271-G273 VanDerWaalsContact C-N 3.26Å; R271-G273 PolarHBondContact O-N 3.28Å | ||
| 272 | L | 29.2 | Very low | 35.5 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 91% | 0.906 | 71% | 0.713 | S | S | * | * | trans | -57 | 101 | 153.8 | -86 | 144.3 | 0 | 0 | 0 | 105.9 | L270 A274 | L270-L272 PolarHBondContact O-N 3.22Å; L270-L272 VanDerWaalsContact O-N 3.09Å; L272-A274 PolarHBondContact O-N 2.87Å; L272-A274 VanDerWaalsContact O-N 3.16Å | ||
| 273 | G | 32.6 | Very low | 35.1 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 116.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | R271 G275 | R271-G273 VanDerWaalsContact C-N 3.26Å; R271-G273 PolarHBondContact O-N 3.28Å; G273-G275 PolarHBondContact O-N 3.36Å |
| 274 | A | 35.6 | Very low | 34.6 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 124.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | L272 | L272-A274 PolarHBondContact O-N 2.87Å; L272-A274 VanDerWaalsContact O-N 3.16Å |
| 275 | G | 33.7 | Very low | 33.6 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 143.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | G273 V277 | G273-G275 PolarHBondContact O-N 3.36Å; G275-V277 PolarHBondContact O-N 3.01Å |
| 276 | Q | 31.2 | Very low | 33.1 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -63 | 119.7 | 155.9 | -70.9 | -176.5 | -54.5 | 0 | 0 | 107.8 | ||
| 277 | V | 38.5 | Very low | 32.7 | Very low | 215 Ų | 215 | 139.7 Ų | 139.7 | 100% | 1.303 | 83% | 0.825 | S | S | * | * | trans | -121.4 | 0 | 152.7 | -179.3 | 0 | 0 | 0 | 0 | 105.8 | G275 | G275-V277 PolarHBondContact O-N 3.01Š|
Retrieved 277 of 277 residues in 198.2 ms
(Link to these results)