| 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 | T | 66.7 | Low | 76.8 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | 0 | -48.9 | 0 | -45.2 | 0 | 0 | 0 | 0 | 111.4 | L3 Y4 I5 D62 R63 R77 | T1-L3 VanDerWaalsContact C-N 3.31Å; T1-L3 PolarHBondContact O-N 3.49Å; T1-Y4 WeakPolarHBondContact O-CA 3.41Å; T1-Y4 WeakPolarHBondContact O-CB 3.33Å; T1-Y4 PolarHBondContact O-N 3.24Å; T1-I5 HydrophobicContact CG2-CD1 4.11Å; T1-I5 HydrophobicContact CG2-CG1 4.41Å; T1-I5 PolarHBondContact O-N 3.21Å; T1-I5 VanDerWaalsContact O-N 3.13Å; T1-D62 PolarHBondContact OG1-OD2 3.41Å; T1-R63 VanDerWaalsContact CG2-NH2 3.32Å; T1-R63 PolarHBondContact OG1-NH2 2.75Å; T1-R77 PolarHBondContact OG1-NH2 3.25Å | |||
| 2 | E | 72.4 | Confident | 77.5 | Confident | 95 Ų | 95 | 42.3 Ų | 42.3 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -47.4 | -45.6 | 177.5 | -54.3 | -50.9 | 127.7 | 0 | 0 | 114.9 | Y4 I5 F6 | E2-Y4 VanDerWaalsContact C-N 3.28Å; E2-Y4 PolarHBondContact O-N 3.34Å; E2-I5 PolarHBondContact O-N 2.78Å; E2-F6 PolarHBondContact O-N 3.3Å |
| 3 | L | 74.8 | Confident | 77.9 | Confident | 72 Ų | 72 | 44.7 Ų | 44.7 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.4 | -34.7 | 177 | -72.7 | 170.4 | 0 | 0 | 0 | 113.4 | T1 N7 A82 K83 | T1-L3 VanDerWaalsContact C-N 3.31Å; T1-L3 PolarHBondContact O-N 3.49Å; L3-N7 WeakPolarHBondContact O-CB 3.4Å; L3-N7 PolarHBondContact O-N 3.23Å; L3-N7 VanDerWaalsContact O-N 3.08Å; L3-A82 HydrophobicContact CD1-CB 4.03Å; L3-K83 HydrophobicContact CD1-CG 4.08Å |
| 4 | Y | 76.3 | Confident | 78.3 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 7% | 0.071 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.4 | -37.8 | 177.6 | -57.1 | -47.1 | 0 | 0 | 0 | 111.3 | T1 E2 N7 L8 T55 V58 M59 A82 V85 | T1-Y4 WeakPolarHBondContact O-CA 3.41Å; T1-Y4 WeakPolarHBondContact O-CB 3.33Å; T1-Y4 PolarHBondContact O-N 3.24Å; E2-Y4 VanDerWaalsContact C-N 3.28Å; E2-Y4 PolarHBondContact O-N 3.34Å; Y4-N7 PolarHBondContact O-N 3.38Å; Y4-L8 WeakPolarHBondContact O-CB 3.36Å; Y4-L8 PolarHBondContact O-N 3.12Å; Y4-T55 VanDerWaalsContact O-CG2 3.3Å; Y4-T55 WeakPolarHBondContact O-CG2 3.26Å; Y4-V58 HydrophobicContact CD1-CG1 4.15Å; Y4-V58 HydrophobicContact CD2-CG1 4.25Å; Y4-V58 HydrophobicContact CE1-CG1 3.66Å; Y4-V58 HydrophobicContact CE2-CG1 3.77Å; Y4-V58 HydrophobicContact CG-CG1 4.43Å; Y4-V58 VanDerWaalsContact CZ-CG1 3.44Å; Y4-M59 HydrophobicContact CD2-CG 4.02Å; Y4-M59 HydrophobicContact CG-CG 4.14Å; Y4-A82 HydrophobicContact CE1-CB 4.41Å; Y4-A82 WeakPolarHBondContact OH-CA 3.4Å; Y4-V85 HydrophobicContact CE1-CB 4.39Å; Y4-V85 HydrophobicContact CE1-CG1 4.12Å |
| 5 | I | 75.5 | Confident | 78.7 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 175.4 | -62.8 | 171.2 | 0 | 0 | 0 | 110.1 | T1 E2 N7 L8 A9 M59 Y234 F241 | T1-I5 HydrophobicContact CG2-CD1 4.11Å; T1-I5 HydrophobicContact CG2-CG1 4.41Å; T1-I5 PolarHBondContact O-N 3.21Å; T1-I5 VanDerWaalsContact O-N 3.13Å; E2-I5 PolarHBondContact O-N 2.78Å; I5-N7 VanDerWaalsContact C-N 3.34Å; I5-N7 PolarHBondContact O-N 3.36Å; I5-L8 PolarHBondContact O-N 2.99Å; I5-A9 WeakPolarHBondContact O-CB 3.48Å; I5-A9 PolarHBondContact O-N 3.48Å; I5-M59 HydrophobicContact CG1-SD 4.24Å; I5-Y234 HydrophobicContact CD1-CD1 4.11Å; I5-Y234 HydrophobicContact CD1-CG 4.35Å; I5-Y234 HydrophobicContact CG1-CD1 4.13Å; I5-Y234 HydrophobicContact CG1-CE1 4.24Å; I5-Y234 HydrophobicContact CG1-CG 4.37Å; I5-Y234 HydrophobicContact CG2-CD2 4.07Å; I5-Y234 HydrophobicContact CG2-CG 4.32Å; I5-F241 HydrophobicContact CG2-CE2 4.36Å |
| 6 | F | 77.3 | Confident | 79 | Confident | 141 Ų | 141 | 45.3 Ų | 45.3 | 62% | 0.618 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.2 | -44.6 | 174.8 | 177.9 | -96.7 | 0 | 0 | 0 | 111.8 | E2 L8 A9 L10 | E2-F6 PolarHBondContact O-N 3.3Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3.19Å; F6-A9 PolarHBondContact O-N 3.05Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 2.95Å |
| 7 | N | 78.9 | Confident | 79.5 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 179 | -163.4 | 56.4 | 0 | 0 | 0 | 112.4 | L3 Y4 I5 L10 A11 I51 N86 W90 | L3-N7 WeakPolarHBondContact O-CB 3.4Å; L3-N7 PolarHBondContact O-N 3.23Å; L3-N7 VanDerWaalsContact O-N 3.08Å; Y4-N7 PolarHBondContact O-N 3.38Å; I5-N7 VanDerWaalsContact C-N 3.34Å; I5-N7 PolarHBondContact O-N 3.36Å; N7-L10 PolarHBondContact O-N 3.38Å; N7-A11 PolarHBondContact O-N 3.26Å; N7-I51 WeakPolarHBondContact ND2-CG2 3.25Å; N7-N86 VanDerWaalsContact CB-OD1 3.29Å; N7-N86 WeakPolarHBondContact CB-OD1 3.21Å; N7-N86 PolarHBondContact ND2-OD1 3.01Å; N7-N86 PolarHBondContact OD1-ND2 2.87Å; N7-N86 VanDerWaalsContact OD1-ND2 3.17Å; N7-N86 PolarHBondContact OD1-OD1 2.99Å; N7-W90 PolarHBondContact OD1-NE1 3.26Å |
| 8 | L | 78.1 | Confident | 80 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 176.4 | -174.6 | 63.5 | 0 | 0 | 0 | 111.6 | Y4 I5 F6 L10 A11 D12 S52 T55 M59 N230 Y234 | Y4-L8 WeakPolarHBondContact O-CB 3.36Å; Y4-L8 PolarHBondContact O-N 3.12Å; I5-L8 PolarHBondContact O-N 2.99Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3.19Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 2.93Å; L8-A11 PolarHBondContact O-N 3.48Å; L8-D12 WeakPolarHBondContact O-CB 3.4Å; L8-D12 VanDerWaalsContact O-CG 3.27Å; L8-D12 PolarHBondContact O-N 2.99Å; L8-S52 VanDerWaalsContact CD1-CA 3.45Å; L8-S52 VanDerWaalsContact CD1-OG 3.29Å; L8-S52 WeakPolarHBondContact CD1-OG 3.37Å; L8-T55 HydrophobicContact CB-CG2 4.17Å; L8-M59 HydrophobicContact CD2-CE 3.97Å; L8-N230 HydrophobicContact CD2-CB 4.11Å; L8-Y234 HydrophobicContact CD2-CE2 3.55Å; L8-Y234 WeakPolarHBondContact CD2-OH 3.47Å |
| 9 | A | 79.7 | Confident | 80.3 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I5 F6 S13 | I5-A9 WeakPolarHBondContact O-CB 3.48Å; I5-A9 PolarHBondContact O-N 3.48Å; F6-A9 PolarHBondContact O-N 3.05Å; A9-S13 VanDerWaalsContact O-CB 3.31Å; A9-S13 WeakPolarHBondContact O-CB 3.38Å; A9-S13 PolarHBondContact O-N 2.99Å; A9-S13 PolarHBondContact O-OG 3.4Å |
| 10 | L | 81.3 | Confident | 80.8 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 174 | 178.6 | 63.3 | 0 | 0 | 0 | 110.9 | F6 N7 L8 D12 S13 L14 W90 | F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 2.95Å; N7-L10 PolarHBondContact O-N 3.38Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 2.93Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-D12 PolarHBondContact O-N 3.38Å; L10-S13 PolarHBondContact O-N 2.99Å; L10-L14 HydrophobicContact CG-CD1 4.43Å; L10-L14 WeakPolarHBondContact O-CG 3.25Å; L10-L14 PolarHBondContact O-N 3.03Å; L10-L14 VanDerWaalsContact O-N 3.07Å; L10-W90 HydrophobicContact CD2-CZ2 4.32Å |
| 11 | A | 83.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N7 L8 L14 A15 N48 I51 | N7-A11 PolarHBondContact O-N 3.26Å; L8-A11 PolarHBondContact O-N 3.48Å; A11-L14 PolarHBondContact O-N 3.3Å; A11-A15 PolarHBondContact O-N 2.97Å; A11-A15 VanDerWaalsContact O-N 3.11Å; A11-N48 PolarHBondContact O-ND2 3.39Å; A11-I51 HydrophobicContact CB-CB 4.2Å; A11-I51 HydrophobicContact CB-CG2 3.76Å |
| 12 | D | 85.1 | Confident | 82.2 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 179.2 | -71.2 | -23.9 | 0 | 0 | 0 | 111.9 | L8 L10 L14 A15 L16 N48 S52 S227 N230 | L8-D12 WeakPolarHBondContact O-CB 3.4Å; L8-D12 VanDerWaalsContact O-CG 3.27Å; L8-D12 PolarHBondContact O-N 2.99Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-D12 PolarHBondContact O-N 3.38Å; D12-L14 VanDerWaalsContact C-N 3.33Å; D12-L14 PolarHBondContact O-N 3.45Å; D12-A15 PolarHBondContact O-N 3.31Å; D12-L16 WeakPolarHBondContact O-CB 3.31Å; D12-L16 VanDerWaalsContact O-CG 3.3Å; D12-L16 WeakPolarHBondContact O-CG 3.4Å; D12-L16 PolarHBondContact O-N 2.88Å; D12-N48 VanDerWaalsContact CA-ND2 3.32Å; D12-N48 WeakPolarHBondContact CA-ND2 3.14Å; D12-N48 PolarHBondContact N-ND2 3.33Å; D12-N48 PolarHBondContact OD1-ND2 3.35Å; D12-S52 PolarHBondContact OD1-OG 3.45Å; D12-S227 VanDerWaalsContact CG-CB 3.46Å; D12-S227 WeakPolarHBondContact OD1-CB 3.42Å; D12-S227 PolarHBondContact OD1-OG 2.84Å; D12-N230 PolarHBondContact OD2-ND2 2.93Å |
| 13 | S | 82.5 | Confident | 83 | Confident | 74 Ų | 74 | 47.6 Ų | 47.6 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | A9 L10 L16 A17 | A9-S13 VanDerWaalsContact O-CB 3.31Å; A9-S13 WeakPolarHBondContact O-CB 3.38Å; A9-S13 PolarHBondContact O-N 2.99Å; A9-S13 PolarHBondContact O-OG 3.4Å; L10-S13 PolarHBondContact O-N 2.99Å; S13-L16 PolarHBondContact O-N 3.36Å; S13-A17 WeakPolarHBondContact O-CB 3.47Å; S13-A17 PolarHBondContact O-N 3.46Å |
| 14 | L | 84.2 | Confident | 83.7 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.4 | -70.3 | 170.2 | 0 | 0 | 0 | 111.6 | L10 A11 D12 A17 T18 F44 | L10-L14 HydrophobicContact CG-CD1 4.43Å; L10-L14 WeakPolarHBondContact O-CG 3.25Å; L10-L14 PolarHBondContact O-N 3.03Å; L10-L14 VanDerWaalsContact O-N 3.07Å; A11-L14 PolarHBondContact O-N 3.3Å; D12-L14 VanDerWaalsContact C-N 3.33Å; D12-L14 PolarHBondContact O-N 3.45Å; L14-A17 WeakPolarHBondContact O-CB 3.37Å; L14-A17 PolarHBondContact O-N 2.96Å; L14-T18 PolarHBondContact O-N 3.32Å; L14-F44 HydrophobicContact CD1-CE1 4.4Å |
| 15 | A | 83.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A11 D12 A17 T18 M19 N48 Y224 | A11-A15 PolarHBondContact O-N 2.97Å; A11-A15 VanDerWaalsContact O-N 3.11Å; D12-A15 PolarHBondContact O-N 3.31Å; A15-A17 PolarHBondContact O-N 2.84Å; A15-T18 PolarHBondContact O-N 3.35Å; A15-T18 VanDerWaalsContact O-N 3.14Å; A15-T18 PolarHBondContact O-OG1 3.33Å; A15-M19 PolarHBondContact O-N 2.87Å; A15-N48 HydrophobicContact CB-CB 3.7Å; A15-Y224 HydrophobicContact CB-CE1 4.19Å |
| 16 | L | 84.6 | Confident | 84.6 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67 | -28.3 | 176.1 | -69.6 | 173.6 | 0 | 0 | 0 | 112.1 | D12 S13 T18 M19 | D12-L16 WeakPolarHBondContact O-CB 3.31Å; D12-L16 VanDerWaalsContact O-CG 3.3Å; D12-L16 WeakPolarHBondContact O-CG 3.4Å; D12-L16 PolarHBondContact O-N 2.88Å; S13-L16 PolarHBondContact O-N 3.36Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 PolarHBondContact O-N 2.97Å; L16-M19 WeakPolarHBondContact O-CB 3.46Å; L16-M19 PolarHBondContact O-N 3.1Å |
| 17 | A | 87.4 | Confident | 85.2 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.9 | -22.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S13 L14 A15 P20 | S13-A17 WeakPolarHBondContact O-CB 3.47Å; S13-A17 PolarHBondContact O-N 3.46Å; L14-A17 WeakPolarHBondContact O-CB 3.37Å; L14-A17 PolarHBondContact O-N 2.96Å; A15-A17 PolarHBondContact O-N 2.84Å; A17-P20 WeakPolarHBondContact O-CD 3.28Å |
| 18 | T | 87.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.3 | -20.2 | 175.8 | 64.6 | 0 | 0 | 0 | 0 | 113 | L14 A15 L16 P20 F21 Q22 V41 F44 D45 | L14-T18 PolarHBondContact O-N 3.32Å; A15-T18 PolarHBondContact O-N 3.35Å; A15-T18 VanDerWaalsContact O-N 3.14Å; A15-T18 PolarHBondContact O-OG1 3.33Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 PolarHBondContact O-N 2.97Å; T18-P20 VanDerWaalsContact C-CD 3.44Å; T18-F21 PolarHBondContact O-N 3.19Å; T18-F21 VanDerWaalsContact O-N 3.09Å; T18-Q22 PolarHBondContact O-N 3.29Å; T18-V41 HydrophobicContact CG2-CB 4.4Å; T18-V41 HydrophobicContact CG2-CG1 4.34Å; T18-V41 HydrophobicContact CG2-CG2 4.21Å; T18-F44 HydrophobicContact CG2-CB 3.95Å; T18-F44 HydrophobicContact CG2-CD2 4.43Å; T18-D45 PolarHBondContact OG1-OD1 3.46Å |
| 19 | M | 87 | Confident | 86 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53.1 | -40.3 | -175.1 | -165.9 | -171.2 | -178.7 | 0 | 0 | 115.2 | A15 L16 F21 Q22 G23 | A15-M19 PolarHBondContact O-N 2.87Å; L16-M19 WeakPolarHBondContact O-CB 3.46Å; L16-M19 PolarHBondContact O-N 3.1Å; M19-F21 VanDerWaalsContact C-N 3.3Å; M19-F21 PolarHBondContact O-N 3.28Å; M19-Q22 PolarHBondContact O-N 3.04Å; M19-G23 PolarHBondContact O-N 3.2Å |
| 20 | P | 90.3 | Very high | 86.4 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 53% | 0.532 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 178.7 | -23.9 | 35.6 | 0 | 0 | 0 | 113.7 | A17 T18 T24 | A17-P20 WeakPolarHBondContact O-CD 3.28Å; T18-P20 VanDerWaalsContact C-CD 3.44Å; P20-T24 PolarHBondContact O-N 3.14Å; P20-T24 PolarHBondContact O-OG1 3.18Å |
| 21 | F | 90.3 | Very high | 86.8 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 178.5 | -56.5 | -75.4 | 0 | 0 | 0 | 110.6 | T18 M19 T24 D25 W31 F33 L37 V41 | T18-F21 PolarHBondContact O-N 3.19Å; T18-F21 VanDerWaalsContact O-N 3.09Å; M19-F21 VanDerWaalsContact C-N 3.3Å; M19-F21 PolarHBondContact O-N 3.28Å; F21-T24 PolarHBondContact O-N 3.03Å; F21-D25 PolarHBondContact O-N 3.17Å; F21-W31 HydrophobicContact CB-CH2 3.94Å; F21-W31 HydrophobicContact CB-CZ3 4.34Å; F21-F33 HydrophobicContact CB-CD2 4.37Å; F21-F33 HydrophobicContact CB-CE2 4.06Å; F21-F33 HydrophobicContact CD1-CD1 4.12Å; F21-F33 HydrophobicContact CD1-CD2 4.16Å; F21-F33 AromaticContact CD1-CE1 3.93Å; F21-F33 HydrophobicContact CD1-CE1 3.93Å; F21-F33 AromaticContact CD1-CE2 3.97Å; F21-F33 HydrophobicContact CD1-CE2 3.97Å; F21-F33 HydrophobicContact CD1-CG 4.23Å; F21-F33 AromaticContact CD1-CZ 3.85Å; F21-F33 HydrophobicContact CD1-CZ 3.85Å; F21-F33 HydrophobicContact CE1-CE1 4.38Å; F21-L37 HydrophobicContact CD1-CD2 3.44Å; F21-L37 VanDerWaalsContact CD1-CD2 3.44Å; F21-L37 HydrophobicContact CE1-CD2 3.5Å; F21-L37 VanDerWaalsContact CE1-CD2 3.5Å; F21-L37 HydrophobicContact CG-CD2 4.1Å; F21-L37 HydrophobicContact CZ-CD2 4.18Å; F21-V41 HydrophobicContact CB-CG2 4.14Å; F21-V41 HydrophobicContact CD2-CG2 4.02Å; F21-V41 HydrophobicContact CG-CG2 4.21Å |
| 22 | Q | 86.8 | Confident | 87.2 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 19% | 0.187 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.1 | -63 | -70.9 | 10.6 | 0 | 0 | 111.3 | T18 M19 T24 D25 V26 V41 D45 | T18-Q22 PolarHBondContact O-N 3.29Å; M19-Q22 PolarHBondContact O-N 3.04Å; Q22-T24 VanDerWaalsContact C-N 3.26Å; Q22-T24 PolarHBondContact O-N 3.46Å; Q22-D25 WeakPolarHBondContact O-CB 3.31Å; Q22-D25 PolarHBondContact O-N 3.27Å; Q22-V26 WeakPolarHBondContact O-CG2 3.42Å; Q22-V26 PolarHBondContact O-N 3.37Å; Q22-V41 HydrophobicContact CG-CG1 4Å; Q22-V41 VanDerWaalsContact NE2-CG1 3.27Å; Q22-D45 PolarHBondContact NE2-OD2 2.92Å |
| 23 | G | 87.6 | Confident | 87.6 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M19 F27 | M19-G23 PolarHBondContact O-N 3.2Å; G23-F27 VanDerWaalsContact O-CB 3.32Å; G23-F27 WeakPolarHBondContact O-CB 3.2Å; G23-F27 PolarHBondContact O-N 3.27Å |
| 24 | T | 89.1 | Confident | 88 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.1 | -41.5 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | P20 F21 Q22 V26 F27 L28 P32 F33 | P20-T24 PolarHBondContact O-N 3.14Å; P20-T24 PolarHBondContact O-OG1 3.18Å; F21-T24 PolarHBondContact O-N 3.03Å; Q22-T24 VanDerWaalsContact C-N 3.26Å; Q22-T24 PolarHBondContact O-N 3.46Å; T24-V26 VanDerWaalsContact C-N 3.33Å; T24-V26 PolarHBondContact O-N 3.29Å; T24-F27 PolarHBondContact O-N 2.91Å; T24-L28 HydrophobicContact CG2-CD1 3.57Å; T24-L28 HydrophobicContact CG2-CG 4.06Å; T24-L28 WeakPolarHBondContact O-CB 3.37Å; T24-L28 WeakPolarHBondContact O-CG 3.41Å; T24-L28 PolarHBondContact O-N 3.33Å; T24-P32 HydrophobicContact CG2-CG 4.24Å; T24-F33 HydrophobicContact CG2-CE2 4Å; T24-F33 HydrophobicContact CG2-CZ 3.64Å |
| 25 | D | 86.8 | Confident | 88.3 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 16% | 0.16 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 174.4 | -176.4 | 63.2 | 0 | 0 | 0 | 111.4 | F21 Q22 F27 G29 F30 W31 | F21-D25 PolarHBondContact O-N 3.17Å; Q22-D25 WeakPolarHBondContact O-CB 3.31Å; Q22-D25 PolarHBondContact O-N 3.27Å; D25-F27 PolarHBondContact O-N 3.17Å; D25-G29 WeakPolarHBondContact O-CA 3.4Å; D25-G29 PolarHBondContact O-N 2.92Å; D25-F30 PolarHBondContact O-N 3.02Å; D25-W31 HydrophobicContact CB-CE3 3.81Å; D25-W31 HydrophobicContact CB-CZ3 4.22Å; D25-W31 VanDerWaalsContact OD1-CA 3.29Å; D25-W31 WeakPolarHBondContact OD1-CA 3.46Å; D25-W31 WeakPolarHBondContact OD1-CB 3.37Å; D25-W31 PolarHBondContact OD1-N 2.8Å; D25-W31 VanDerWaalsContact OD1-N 3.08Å |
| 26 | V | 85.6 | Confident | 88.6 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | Q22 T24 H217 | Q22-V26 WeakPolarHBondContact O-CG2 3.42Å; Q22-V26 PolarHBondContact O-N 3.37Å; T24-V26 VanDerWaalsContact C-N 3.33Å; T24-V26 PolarHBondContact O-N 3.29Å; V26-H217 WeakPolarHBondContact CG2-CD2 3.49Å |
| 27 | F | 88.4 | Confident | 88.9 | Confident | 182 Ų | 182 | 63 Ų | 63 | 80% | 0.798 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.4 | -39.9 | -177.4 | -175.1 | -96.3 | 0 | 0 | 0 | 112.7 | G23 T24 D25 | G23-F27 VanDerWaalsContact O-CB 3.32Å; G23-F27 WeakPolarHBondContact O-CB 3.2Å; G23-F27 PolarHBondContact O-N 3.27Å; T24-F27 PolarHBondContact O-N 2.91Å; D25-F27 PolarHBondContact O-N 3.17Å |
| 28 | L | 88.5 | Confident | 89.1 | Confident | 78 Ų | 78 | 60 Ų | 60 | 41% | 0.408 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -82.5 | -22.9 | 179.4 | -66.3 | 179.9 | 0 | 0 | 0 | 112.8 | T24 F30 P32 | T24-L28 HydrophobicContact CG2-CD1 3.57Å; T24-L28 HydrophobicContact CG2-CG 4.06Å; T24-L28 WeakPolarHBondContact O-CB 3.37Å; T24-L28 WeakPolarHBondContact O-CG 3.41Å; T24-L28 PolarHBondContact O-N 3.33Å; L28-F30 HydrophobicContact CB-CD1 3.91Å; L28-F30 HydrophobicContact CB-CE1 3.77Å; L28-F30 HydrophobicContact CB-CG 4.46Å; L28-F30 HydrophobicContact CB-CZ 4.23Å; L28-F30 HydrophobicContact CD1-CE1 4.44Å; L28-F30 HydrophobicContact CD1-CE2 4.38Å; L28-F30 HydrophobicContact CD1-CZ 4.07Å; L28-F30 VanDerWaalsContact O-CD1 3.29Å; L28-F30 WeakPolarHBondContact O-CD1 3.39Å; L28-F30 PolarHBondContact O-N 3.49Å; L28-P32 HydrophobicContact CD1-CB 4.44Å; L28-P32 HydrophobicContact CD1-CG 3.96Å |
| 29 | G | 85.3 | Confident | 89.2 | Confident | 53 Ų | 53 | 62.4 Ų | 62.4 | 55% | 0.546 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 12.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D25 | D25-G29 WeakPolarHBondContact O-CA 3.4Å; D25-G29 PolarHBondContact O-N 2.92Å |
| 30 | F | 88 | Confident | 89.3 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 34% | 0.342 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -156.4 | 159.3 | 175 | 69.2 | -91.2 | 0 | 0 | 0 | 110.8 | D25 L28 P32 T113 | D25-F30 PolarHBondContact O-N 3.02Å; L28-F30 HydrophobicContact CB-CD1 3.91Å; L28-F30 HydrophobicContact CB-CE1 3.77Å; L28-F30 HydrophobicContact CB-CG 4.46Å; L28-F30 HydrophobicContact CB-CZ 4.23Å; L28-F30 HydrophobicContact CD1-CE1 4.44Å; L28-F30 HydrophobicContact CD1-CE2 4.38Å; L28-F30 HydrophobicContact CD1-CZ 4.07Å; L28-F30 VanDerWaalsContact O-CD1 3.29Å; L28-F30 WeakPolarHBondContact O-CD1 3.39Å; L28-F30 PolarHBondContact O-N 3.49Å; F30-P32 HydrophobicContact CD2-CB 4.47Å; F30-P32 HydrophobicContact CE2-CB 3.96Å; F30-P32 VanDerWaalsContact O-CD 3.23Å; F30-P32 WeakPolarHBondContact O-CD 3.31Å; F30-T113 CarbonylContact C-O 3.34Å; F30-T113 WeakPolarHBondContact CA-O 3.48Å |
| 31 | W | 90.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 1% | 0.011 | 33% | 0.33 | C | S | . | . | trans | -91.2 | 106.9 | -178.8 | -176.9 | -94.8 | 0 | 0 | 0 | 112.2 | F21 D25 F33 G34 L37 C38 V41 T106 T113 C115 | F21-W31 HydrophobicContact CB-CH2 3.94Å; F21-W31 HydrophobicContact CB-CZ3 4.34Å; D25-W31 HydrophobicContact CB-CE3 3.81Å; D25-W31 HydrophobicContact CB-CZ3 4.22Å; D25-W31 VanDerWaalsContact OD1-CA 3.29Å; D25-W31 WeakPolarHBondContact OD1-CA 3.46Å; D25-W31 WeakPolarHBondContact OD1-CB 3.37Å; D25-W31 PolarHBondContact OD1-N 2.8Å; D25-W31 VanDerWaalsContact OD1-N 3.08Å; W31-F33 HydrophobicContact CD2-CD2 4.08Å; W31-F33 AromaticContact CE2-CD2 3.83Å; W31-F33 HydrophobicContact CE3-CD2 4.19Å; W31-F33 AromaticContact CH2-CD2 3.85Å; W31-F33 HydrophobicContact CH2-CD2 3.85Å; W31-F33 HydrophobicContact CZ2-CB 3.8Å; W31-F33 AromaticContact CZ2-CD2 3.72Å; W31-F33 HydrophobicContact CZ2-CD2 3.72Å; W31-F33 HydrophobicContact CZ2-CG 4.2Å; W31-F33 HydrophobicContact CZ3-CD2 4.08Å; W31-G34 PolarHBondContact NE1-O 2.82Å; W31-L37 HydrophobicContact CZ2-CB 4.08Å; W31-L37 HydrophobicContact CZ2-CD2 4.44Å; W31-L37 HydrophobicContact CZ2-CG 4.21Å; W31-C38 HydrophobicContact CD2-CB 4.43Å; W31-C38 VanDerWaalsContact CZ2-CA 3.49Å; W31-C38 HydrophobicContact CZ2-CB 4.04Å; W31-C38 VanDerWaalsContact CZ2-N 3.33Å; W31-V41 HydrophobicContact CH2-CB 4.2Å; W31-V41 HydrophobicContact CH2-CG1 4.23Å; W31-V41 HydrophobicContact CH2-CG2 4.19Å; W31-T106 HydrophobicContact CG-CG2 4.47Å; W31-T113 WeakPolarHBondContact CB-O 3.43Å; W31-T113 PolarHBondContact N-O 2.95Å; W31-C115 HydrophobicContact CB-CB 4.18Å; W31-C115 HydrophobicContact CD2-CB 3.88Å; W31-C115 HydrophobicContact CE3-CB 4.03Å; W31-C115 HydrophobicContact CG-CB 3.93Å | ||
| 32 | P | 92.3 | Very high | 89 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | trans | -88.2 | -12.1 | -176 | 35.5 | -37.8 | 0 | 0 | 0 | 114.2 | T24 L28 F30 G34 | T24-P32 HydrophobicContact CG2-CG 4.24Å; L28-P32 HydrophobicContact CD1-CB 4.44Å; L28-P32 HydrophobicContact CD1-CG 3.96Å; F30-P32 HydrophobicContact CD2-CB 4.47Å; F30-P32 HydrophobicContact CE2-CB 3.96Å; F30-P32 VanDerWaalsContact O-CD 3.23Å; F30-P32 WeakPolarHBondContact O-CD 3.31Å; P32-G34 PolarHBondContact O-N 2.77Å | ||
| 33 | F | 92.4 | Very high | 89 | Confident | 74 Ų | 74 | 52.6 Ų | 52.6 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -90.9 | 3.5 | -164.2 | -50.5 | -75.2 | 0 | 0 | 0 | 115.1 | F21 T24 W31 L37 | F21-F33 HydrophobicContact CB-CD2 4.37Å; F21-F33 HydrophobicContact CB-CE2 4.06Å; F21-F33 HydrophobicContact CD1-CD1 4.12Å; F21-F33 HydrophobicContact CD1-CD2 4.16Å; F21-F33 AromaticContact CD1-CE1 3.93Å; F21-F33 HydrophobicContact CD1-CE1 3.93Å; F21-F33 AromaticContact CD1-CE2 3.97Å; F21-F33 HydrophobicContact CD1-CE2 3.97Å; F21-F33 HydrophobicContact CD1-CG 4.23Å; F21-F33 AromaticContact CD1-CZ 3.85Å; F21-F33 HydrophobicContact CD1-CZ 3.85Å; F21-F33 HydrophobicContact CE1-CE1 4.38Å; T24-F33 HydrophobicContact CG2-CE2 4Å; T24-F33 HydrophobicContact CG2-CZ 3.64Å; W31-F33 HydrophobicContact CD2-CD2 4.08Å; W31-F33 AromaticContact CE2-CD2 3.83Å; W31-F33 HydrophobicContact CE3-CD2 4.19Å; W31-F33 AromaticContact CH2-CD2 3.85Å; W31-F33 HydrophobicContact CH2-CD2 3.85Å; W31-F33 HydrophobicContact CZ2-CB 3.8Å; W31-F33 AromaticContact CZ2-CD2 3.72Å; W31-F33 HydrophobicContact CZ2-CD2 3.72Å; W31-F33 HydrophobicContact CZ2-CG 4.2Å; W31-F33 HydrophobicContact CZ3-CD2 4.08Å; F33-L37 HydrophobicContact CB-CB 3.94Å; F33-L37 HydrophobicContact CB-CD2 3.43Å; F33-L37 VanDerWaalsContact CB-CD2 3.43Å; F33-L37 HydrophobicContact CB-CG 4.24Å; F33-L37 HydrophobicContact CD1-CD2 4.1Å; F33-L37 HydrophobicContact CD2-CD2 4.4Å; F33-L37 HydrophobicContact CG-CD2 3.75Å |
| 34 | G | 91.1 | Very high | 89 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | 74.1 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | W31 P32 A36 C38 | W31-G34 PolarHBondContact NE1-O 2.82Å; P32-G34 PolarHBondContact O-N 2.77Å; G34-A36 PolarHBondContact O-N 3.2Å; G34-C38 PolarHBondContact O-N 3.31Å |
| 35 | N | 90.5 | Very high | 88.9 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | -168.3 | -167.7 | 44.8 | 0 | 0 | 0 | 114.1 | L37 C38 K39 G105 T106 | N35-L37 PolarHBondContact O-N 3.35Å; N35-C38 PolarHBondContact O-N 2.93Å; N35-K39 WeakPolarHBondContact O-CG 3.37Å; N35-K39 PolarHBondContact O-N 2.94Å; N35-G105 WeakPolarHBondContact OD1-CA 3.49Å; N35-T106 HydrophobicContact CB-CG2 4.38Å; N35-T106 WeakPolarHBondContact CB-OG1 3.3Å; N35-T106 PolarHBondContact OD1-N 3.41Å; N35-T106 PolarHBondContact OD1-OG1 2.88Å |
| 36 | A | 90.7 | Very high | 88.9 | Confident | 76 Ų | 76 | 53.4 Ų | 53.4 | 63% | 0.628 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G34 T40 | G34-A36 PolarHBondContact O-N 3.2Å; A36-T40 WeakPolarHBondContact O-CB 3.45Å; A36-T40 PolarHBondContact O-N 3.09Å; A36-T40 VanDerWaalsContact O-N 3.11Å; A36-T40 PolarHBondContact O-OG1 3.37Å |
| 37 | L | 90.9 | Very high | 89 | Confident | 51 Ų | 51 | 51.5 Ų | 51.5 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -75.9 | -36 | 179.1 | -160.6 | 66.6 | 0 | 0 | 0 | 111.6 | F21 W31 F33 N35 K39 T40 V41 | F21-L37 HydrophobicContact CD1-CD2 3.44Å; F21-L37 VanDerWaalsContact CD1-CD2 3.44Å; F21-L37 HydrophobicContact CE1-CD2 3.5Å; F21-L37 VanDerWaalsContact CE1-CD2 3.5Å; F21-L37 HydrophobicContact CG-CD2 4.1Å; F21-L37 HydrophobicContact CZ-CD2 4.18Å; W31-L37 HydrophobicContact CZ2-CB 4.08Å; W31-L37 HydrophobicContact CZ2-CD2 4.44Å; W31-L37 HydrophobicContact CZ2-CG 4.21Å; F33-L37 HydrophobicContact CB-CB 3.94Å; F33-L37 HydrophobicContact CB-CD2 3.43Å; F33-L37 VanDerWaalsContact CB-CD2 3.43Å; F33-L37 HydrophobicContact CB-CG 4.24Å; F33-L37 HydrophobicContact CD1-CD2 4.1Å; F33-L37 HydrophobicContact CD2-CD2 4.4Å; F33-L37 HydrophobicContact CG-CD2 3.75Å; N35-L37 PolarHBondContact O-N 3.35Å; L37-K39 PolarHBondContact O-N 3.46Å; L37-T40 PolarHBondContact O-N 3.01Å; L37-V41 HydrophobicContact CD1-CG2 4.38Å; L37-V41 HydrophobicContact CG-CG2 4.09Å; L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 3.25Å |
| 38 | C | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.9 | -52.6 | 172.3 | 166 | 0 | 0 | 0 | 0 | 110.8 | W31 G34 N35 T40 V42 T106 C115 | W31-C38 HydrophobicContact CD2-CB 4.43Å; W31-C38 VanDerWaalsContact CZ2-CA 3.49Å; W31-C38 HydrophobicContact CZ2-CB 4.04Å; W31-C38 VanDerWaalsContact CZ2-N 3.33Å; G34-C38 PolarHBondContact O-N 3.31Å; N35-C38 PolarHBondContact O-N 2.93Å; C38-T40 VanDerWaalsContact C-N 3.34Å; C38-T40 PolarHBondContact O-N 3.36Å; C38-V42 WeakPolarHBondContact O-CG2 3.38Å; C38-V42 PolarHBondContact O-N 3.14Å; C38-V42 VanDerWaalsContact O-N 3.1Å; C38-T106 HydrophobicContact CB-CG2 3.86Å; C38-C115 VanDerWaalsContact CA-SG 3.53Å; C38-C115 HydrophobicContact CB-CB 3.88Å; C38-C115 WeakPolarHBondContact CB-SG 3.36Å; C38-C115 VanDerWaalsContact SG-CA 3.54Å; C38-C115 WeakPolarHBondContact SG-CB 3.23Å; C38-C115 CovalentContact SG-SG 2.03Å; C38-C115 PolarHBondContact SG-SG 3.31Å |
| 39 | K | 90.3 | Very high | 88.9 | Confident | 58 Ų | 58 | 40.3 Ų | 40.3 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.6 | -47.2 | 176.1 | -74 | -176.4 | 165.8 | -163.1 | 0 | 112.3 | N35 L37 S43 Q104 | N35-K39 WeakPolarHBondContact O-CG 3.37Å; N35-K39 PolarHBondContact O-N 2.94Å; L37-K39 PolarHBondContact O-N 3.46Å; K39-S43 WeakPolarHBondContact O-CB 3.37Å; K39-S43 PolarHBondContact O-N 3.47Å; K39-S43 PolarHBondContact O-OG 3Å; K39-Q104 WeakPolarHBondContact CE-O 3.49Å; K39-Q104 HydrophobicContact CG-CB 4.44Å; K39-Q104 WeakPolarHBondContact CG-O 3.41Å |
| 40 | T | 88.1 | Confident | 89.1 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 36% | 0.356 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.5 | -50.5 | -176.5 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | A36 L37 C38 S43 F44 | A36-T40 WeakPolarHBondContact O-CB 3.45Å; A36-T40 PolarHBondContact O-N 3.09Å; A36-T40 VanDerWaalsContact O-N 3.11Å; A36-T40 PolarHBondContact O-OG1 3.37Å; L37-T40 PolarHBondContact O-N 3.01Å; C38-T40 VanDerWaalsContact C-N 3.34Å; C38-T40 PolarHBondContact O-N 3.36Å; T40-S43 PolarHBondContact O-N 3.03Å; T40-F44 HydrophobicContact CG2-CD2 3.7Å; T40-F44 HydrophobicContact CG2-CE2 3.43Å; T40-F44 VanDerWaalsContact CG2-CE2 3.43Å; T40-F44 WeakPolarHBondContact O-CD2 3.33Å; T40-F44 PolarHBondContact O-N 3.23Å |
| 41 | V | 89 | Confident | 89.1 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -53.6 | -177.7 | 158.4 | 0 | 0 | 0 | 0 | 110.4 | T18 F21 Q22 W31 L37 S43 F44 D45 | T18-V41 HydrophobicContact CG2-CB 4.4Å; T18-V41 HydrophobicContact CG2-CG1 4.34Å; T18-V41 HydrophobicContact CG2-CG2 4.21Å; F21-V41 HydrophobicContact CB-CG2 4.14Å; F21-V41 HydrophobicContact CD2-CG2 4.02Å; F21-V41 HydrophobicContact CG-CG2 4.21Å; Q22-V41 HydrophobicContact CG-CG1 4Å; Q22-V41 VanDerWaalsContact NE2-CG1 3.27Å; W31-V41 HydrophobicContact CH2-CB 4.2Å; W31-V41 HydrophobicContact CH2-CG1 4.23Å; W31-V41 HydrophobicContact CH2-CG2 4.19Å; L37-V41 HydrophobicContact CD1-CG2 4.38Å; L37-V41 HydrophobicContact CG-CG2 4.09Å; L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 3.25Å; V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 3.35Å; V41-F44 PolarHBondContact O-N 2.89Å; V41-F44 VanDerWaalsContact O-N 3.17Å; V41-D45 PolarHBondContact O-N 3.34Å; V41-D45 VanDerWaalsContact O-N 3.09Å |
| 42 | V | 86.5 | Confident | 88.8 | Confident | 25 Ų | 25 | 34 Ų | 34 | 15% | 0.152 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.7 | -29.6 | -175.2 | -164.4 | 0 | 0 | 0 | 0 | 111 | C38 F44 D45 Y46 Q104 | C38-V42 WeakPolarHBondContact O-CG2 3.38Å; C38-V42 PolarHBondContact O-N 3.14Å; C38-V42 VanDerWaalsContact O-N 3.1Å; V42-F44 PolarHBondContact O-N 3.48Å; V42-D45 PolarHBondContact O-N 3.44Å; V42-Y46 HydrophobicContact CG1-CD2 4.04Å; V42-Y46 HydrophobicContact CG1-CE2 3.98Å; V42-Y46 VanDerWaalsContact O-CD2 3.31Å; V42-Y46 WeakPolarHBondContact O-CD2 3.42Å; V42-Y46 PolarHBondContact O-N 3Å; V42-Y46 VanDerWaalsContact O-N 3.09Å; V42-Q104 VanDerWaalsContact CB-OE1 3.28Å |
| 43 | S | 87.1 | Confident | 88.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 169.4 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | K39 T40 V41 D45 Y46 Y47 M101 | K39-S43 WeakPolarHBondContact O-CB 3.37Å; K39-S43 PolarHBondContact O-N 3.47Å; K39-S43 PolarHBondContact O-OG 3Å; T40-S43 PolarHBondContact O-N 3.03Å; V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 3.35Å; S43-D45 VanDerWaalsContact C-N 3.3Å; S43-D45 PolarHBondContact O-N 2.87Å; S43-Y46 PolarHBondContact O-N 3.43Å; S43-Y47 WeakPolarHBondContact O-CD2 3.43Å; S43-Y47 PolarHBondContact O-N 3.25Å; S43-M101 WeakPolarHBondContact OG-CA 3.43Å; S43-M101 WeakPolarHBondContact OG-CB 3.47Å; S43-M101 WeakPolarHBondContact OG-CE 3.18Å; S43-M101 WeakPolarHBondContact OG-CG 3.3Å |
| 44 | F | 86.7 | Confident | 88.5 | Confident | 80 Ų | 80 | 29.2 Ų | 29.2 | 35% | 0.351 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 178.3 | -81 | -53.8 | 0 | 0 | 0 | 112.5 | L14 T18 T40 V41 V42 Y46 Y47 N48 | L14-F44 HydrophobicContact CD1-CE1 4.4Å; T18-F44 HydrophobicContact CG2-CB 3.95Å; T18-F44 HydrophobicContact CG2-CD2 4.43Å; T40-F44 HydrophobicContact CG2-CD2 3.7Å; T40-F44 HydrophobicContact CG2-CE2 3.43Å; T40-F44 VanDerWaalsContact CG2-CE2 3.43Å; T40-F44 WeakPolarHBondContact O-CD2 3.33Å; T40-F44 PolarHBondContact O-N 3.23Å; V41-F44 PolarHBondContact O-N 2.89Å; V41-F44 VanDerWaalsContact O-N 3.17Å; V42-F44 PolarHBondContact O-N 3.48Å; F44-Y46 VanDerWaalsContact C-N 3.35Å; F44-Y46 PolarHBondContact O-N 2.71Å; F44-Y47 PolarHBondContact O-N 2.99Å; F44-N48 WeakPolarHBondContact O-CB 3.3Å; F44-N48 PolarHBondContact O-N 3.44Å |
| 45 | D | 86.1 | Confident | 88.3 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 15% | 0.15 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.1 | -65.3 | -8.5 | 0 | 0 | 0 | 111.1 | T18 Q22 V41 V42 S43 N48 M49 Y224 | T18-D45 PolarHBondContact OG1-OD1 3.46Å; Q22-D45 PolarHBondContact NE2-OD2 2.92Å; V41-D45 PolarHBondContact O-N 3.34Å; V41-D45 VanDerWaalsContact O-N 3.09Å; V42-D45 PolarHBondContact O-N 3.44Å; S43-D45 VanDerWaalsContact C-N 3.3Å; S43-D45 PolarHBondContact O-N 2.87Å; D45-N48 PolarHBondContact O-N 2.87Å; D45-M49 PolarHBondContact O-N 2.91Å; D45-Y224 PolarHBondContact OD1-OH 3.24Å; D45-Y224 VanDerWaalsContact OD1-OH 3.06Å; D45-Y224 PolarHBondContact OD2-OH 3.34Å |
| 46 | Y | 87 | Confident | 87.9 | Confident | 31 Ų | 31 | 24.8 Ų | 24.8 | 12% | 0.122 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 173.8 | -88.7 | -98.7 | 0 | 0 | 0 | 112.2 | V42 S43 F44 N48 M49 F50 V100 F130 V134 | V42-Y46 HydrophobicContact CG1-CD2 4.04Å; V42-Y46 HydrophobicContact CG1-CE2 3.98Å; V42-Y46 VanDerWaalsContact O-CD2 3.31Å; V42-Y46 WeakPolarHBondContact O-CD2 3.42Å; V42-Y46 PolarHBondContact O-N 3Å; V42-Y46 VanDerWaalsContact O-N 3.09Å; S43-Y46 PolarHBondContact O-N 3.43Å; F44-Y46 VanDerWaalsContact C-N 3.35Å; F44-Y46 PolarHBondContact O-N 2.71Å; Y46-N48 VanDerWaalsContact C-N 3.32Å; Y46-N48 PolarHBondContact O-N 3.01Å; Y46-M49 HydrophobicContact CD1-CE 3.74Å; Y46-M49 HydrophobicContact CE1-CE 4.03Å; Y46-M49 HydrophobicContact CG-CE 4.49Å; Y46-M49 PolarHBondContact O-N 3.46Å; Y46-F50 HydrophobicContact CD1-CE2 4.19Å; Y46-F50 VanDerWaalsContact O-CD2 3.28Å; Y46-F50 WeakPolarHBondContact O-CD2 3.35Å; Y46-F50 PolarHBondContact O-N 2.89Å; Y46-F50 VanDerWaalsContact O-N 3.07Å; Y46-V100 HydrophobicContact CD1-CG1 4.27Å; Y46-V100 HydrophobicContact CD1-CG2 3.88Å; Y46-V100 HydrophobicContact CD2-CG1 3.76Å; Y46-V100 HydrophobicContact CE1-CG2 4.06Å; Y46-V100 HydrophobicContact CE2-CG1 4.05Å; Y46-V100 HydrophobicContact CG-CG1 3.86Å; Y46-V100 HydrophobicContact CG-CG2 4.26Å; Y46-F130 HydrophobicContact CE1-CE1 4.04Å; Y46-F130 AromaticContact CE1-CZ 3.8Å; Y46-F130 HydrophobicContact CE1-CZ 3.8Å; Y46-V134 HydrophobicContact CE1-CG1 4.48Å; Y46-V134 HydrophobicContact CE1-CG2 4.12Å |
| 47 | Y | 87.8 | Confident | 87.8 | Confident | 36 Ų | 36 | 21.7 Ų | 21.7 | 14% | 0.141 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 174.9 | -88.9 | -73.6 | 0 | 0 | 0 | 111.5 | S43 F44 F50 I51 A93 S94 V98 | S43-Y47 WeakPolarHBondContact O-CD2 3.43Å; S43-Y47 PolarHBondContact O-N 3.25Å; F44-Y47 PolarHBondContact O-N 2.99Å; Y47-F50 PolarHBondContact O-N 3.06Å; Y47-I51 HydrophobicContact CD1-CD1 4.18Å; Y47-I51 VanDerWaalsContact O-CB 3.24Å; Y47-I51 WeakPolarHBondContact O-CB 3.37Å; Y47-I51 WeakPolarHBondContact O-CD1 3.47Å; Y47-I51 WeakPolarHBondContact O-CG1 3.44Å; Y47-I51 PolarHBondContact O-N 3.25Å; Y47-A93 HydrophobicContact CD1-CB 4.09Å; Y47-A93 HydrophobicContact CE1-CB 4.43Å; Y47-S94 WeakPolarHBondContact CE1-OG 3.36Å; Y47-S94 WeakPolarHBondContact OH-CA 3.22Å; Y47-V98 WeakPolarHBondContact OH-CG2 3.38Å |
| 48 | N | 87.6 | Confident | 87.7 | Confident | 9 Ų | 9 | 20.5 Ų | 20.5 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.9 | -50.4 | 176.3 | 177.5 | -83.9 | 0 | 0 | 0 | 111 | A11 D12 A15 F44 D45 Y46 F50 I51 S52 S227 | A11-N48 PolarHBondContact O-ND2 3.39Å; D12-N48 VanDerWaalsContact CA-ND2 3.32Å; D12-N48 WeakPolarHBondContact CA-ND2 3.14Å; D12-N48 PolarHBondContact N-ND2 3.33Å; D12-N48 PolarHBondContact OD1-ND2 3.35Å; A15-N48 HydrophobicContact CB-CB 3.7Å; F44-N48 WeakPolarHBondContact O-CB 3.3Å; F44-N48 PolarHBondContact O-N 3.44Å; D45-N48 PolarHBondContact O-N 2.87Å; Y46-N48 VanDerWaalsContact C-N 3.32Å; Y46-N48 PolarHBondContact O-N 3.01Å; N48-F50 VanDerWaalsContact C-N 3.33Å; N48-F50 PolarHBondContact O-N 3.47Å; N48-I51 PolarHBondContact O-N 3.05Å; N48-S52 WeakPolarHBondContact O-CB 3.41Å; N48-S52 PolarHBondContact O-N 3.18Å; N48-S52 PolarHBondContact O-OG 3.4Å; N48-S227 PolarHBondContact OD1-OG 3.25Å |
| 49 | M | 87.3 | Confident | 87.4 | Confident | 17 Ų | 17 | 21.1 Ų | 21.1 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -52.3 | -50.2 | 178.8 | 175.6 | 177.4 | 74.9 | 0 | 0 | 112.2 | D45 Y46 T53 V134 W191 H195 | D45-M49 PolarHBondContact O-N 2.91Å; Y46-M49 HydrophobicContact CD1-CE 3.74Å; Y46-M49 HydrophobicContact CE1-CE 4.03Å; Y46-M49 HydrophobicContact CG-CE 4.49Å; Y46-M49 PolarHBondContact O-N 3.46Å; M49-T53 VanDerWaalsContact O-CB 3.27Å; M49-T53 WeakPolarHBondContact O-CB 3.32Å; M49-T53 PolarHBondContact O-N 3.36Å; M49-T53 PolarHBondContact O-OG1 3.46Å; M49-V134 HydrophobicContact CE-CG1 3.62Å; M49-V134 HydrophobicContact SD-CG1 4.46Å; M49-W191 HydrophobicContact CB-CH2 3.61Å; M49-W191 HydrophobicContact CB-CZ3 3.83Å; M49-W191 HydrophobicContact CG-CE3 4.14Å; M49-W191 HydrophobicContact CG-CH2 3.63Å; M49-W191 HydrophobicContact CG-CZ3 3.38Å; M49-W191 HydrophobicContact SD-CE3 4.36Å; M49-W191 HydrophobicContact SD-CH2 4.46Å; M49-W191 HydrophobicContact SD-CZ3 3.7Å; M49-H195 VanDerWaalsContact SD-CE1 3.55Å |
| 50 | F | 89.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71 | -48.1 | -179.3 | -80 | -73.2 | 0 | 0 | 0 | 112.8 | Y46 Y47 N48 S52 T53 F54 A93 V96 V134 F137 | Y46-F50 HydrophobicContact CD1-CE2 4.19Å; Y46-F50 VanDerWaalsContact O-CD2 3.28Å; Y46-F50 WeakPolarHBondContact O-CD2 3.35Å; Y46-F50 PolarHBondContact O-N 2.89Å; Y46-F50 VanDerWaalsContact O-N 3.07Å; Y47-F50 PolarHBondContact O-N 3.06Å; N48-F50 VanDerWaalsContact C-N 3.33Å; N48-F50 PolarHBondContact O-N 3.47Å; F50-S52 VanDerWaalsContact C-N 3.34Å; F50-S52 PolarHBondContact O-N 3.49Å; F50-T53 PolarHBondContact O-N 3.46Å; F50-F54 HydrophobicContact CB-CD2 4.43Å; F50-F54 HydrophobicContact CB-CE2 4.17Å; F50-F54 HydrophobicContact CD1-CE1 4.34Å; F50-F54 AromaticContact CD1-CE2 3.88Å; F50-F54 HydrophobicContact CD1-CE2 3.88Å; F50-F54 AromaticContact CD1-CZ 3.65Å; F50-F54 HydrophobicContact CD1-CZ 3.65Å; F50-F54 HydrophobicContact CE1-CZ 4.31Å; F50-F54 HydrophobicContact CG-CE2 4.46Å; F50-F54 WeakPolarHBondContact O-CB 3.4Å; F50-F54 WeakPolarHBondContact O-CD2 3.35Å; F50-F54 WeakPolarHBondContact O-CG 3.46Å; F50-F54 PolarHBondContact O-N 3.08Å; F50-A93 HydrophobicContact CB-CB 3.81Å; F50-V96 HydrophobicContact CD2-CB 4.24Å; F50-V96 HydrophobicContact CD2-CG1 4.29Å; F50-V96 HydrophobicContact CE1-CG1 4.49Å; F50-V96 HydrophobicContact CE1-CG2 4.22Å; F50-V96 HydrophobicContact CE2-CB 3.79Å; F50-V96 HydrophobicContact CE2-CG1 3.4Å; F50-V96 VanDerWaalsContact CE2-CG1 3.4Å; F50-V96 HydrophobicContact CE2-CG2 4.37Å; F50-V96 HydrophobicContact CZ-CB 3.95Å; F50-V96 HydrophobicContact CZ-CG1 3.54Å; F50-V96 HydrophobicContact CZ-CG2 4.04Å; F50-V134 HydrophobicContact CZ-CG2 4.46Å; F50-F137 HydrophobicContact CE1-CB 3.99Å |
| 51 | I | 88.7 | Confident | 87 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | -178.9 | -68.6 | 167.6 | 0 | 0 | 0 | 110.1 | N7 A11 Y47 N48 T53 T55 V89 W90 A93 | N7-I51 WeakPolarHBondContact ND2-CG2 3.25Å; A11-I51 HydrophobicContact CB-CB 4.2Å; A11-I51 HydrophobicContact CB-CG2 3.76Å; Y47-I51 HydrophobicContact CD1-CD1 4.18Å; Y47-I51 VanDerWaalsContact O-CB 3.24Å; Y47-I51 WeakPolarHBondContact O-CB 3.37Å; Y47-I51 WeakPolarHBondContact O-CD1 3.47Å; Y47-I51 WeakPolarHBondContact O-CG1 3.44Å; Y47-I51 PolarHBondContact O-N 3.25Å; N48-I51 PolarHBondContact O-N 3.05Å; I51-T53 PolarHBondContact O-N 3.15Å; I51-T55 WeakPolarHBondContact O-CB 3.26Å; I51-T55 PolarHBondContact O-N 3.06Å; I51-T55 PolarHBondContact O-OG1 2.96Å; I51-V89 HydrophobicContact CG1-CG1 4.49Å; I51-V89 HydrophobicContact CG2-CG1 4.33Å; I51-W90 HydrophobicContact CD1-CD2 3.83Å; I51-W90 HydrophobicContact CD1-CE3 3.6Å; I51-W90 HydrophobicContact CD1-CH2 3.57Å; I51-W90 HydrophobicContact CD1-CZ2 3.79Å; I51-W90 HydrophobicContact CD1-CZ3 3.47Å; I51-W90 VanDerWaalsContact CD1-CZ3 3.47Å; I51-A93 HydrophobicContact CD1-CB 4.43Å; I51-A93 HydrophobicContact CG1-CB 3.68Å |
| 52 | S | 85.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | -179.3 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | L8 D12 N48 F50 T55 L56 | L8-S52 VanDerWaalsContact CD1-CA 3.45Å; L8-S52 VanDerWaalsContact CD1-OG 3.29Å; L8-S52 WeakPolarHBondContact CD1-OG 3.37Å; D12-S52 PolarHBondContact OD1-OG 3.45Å; N48-S52 WeakPolarHBondContact O-CB 3.41Å; N48-S52 PolarHBondContact O-N 3.18Å; N48-S52 PolarHBondContact O-OG 3.4Å; F50-S52 VanDerWaalsContact C-N 3.34Å; F50-S52 PolarHBondContact O-N 3.49Å; S52-T55 PolarHBondContact O-N 2.88Å; S52-L56 WeakPolarHBondContact O-CB 3.42Å; S52-L56 VanDerWaalsContact O-CG 3.29Å; S52-L56 WeakPolarHBondContact O-CG 3.46Å; S52-L56 PolarHBondContact O-N 2.92Å |
| 53 | T | 87.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.9 | -46.9 | 179.4 | -60.7 | 0 | 0 | 0 | 0 | 113 | M49 F50 I51 T55 L56 T57 S138 P142 F187 | M49-T53 VanDerWaalsContact O-CB 3.27Å; M49-T53 WeakPolarHBondContact O-CB 3.32Å; M49-T53 PolarHBondContact O-N 3.36Å; M49-T53 PolarHBondContact O-OG1 3.46Å; F50-T53 PolarHBondContact O-N 3.46Å; I51-T53 PolarHBondContact O-N 3.15Å; T53-T55 VanDerWaalsContact C-N 3.33Å; T53-T55 PolarHBondContact O-N 3.23Å; T53-L56 PolarHBondContact O-N 2.93Å; T53-T57 PolarHBondContact O-N 2.91Å; T53-T57 PolarHBondContact O-OG1 3.24Å; T53-S138 WeakPolarHBondContact CG2-O 3.47Å; T53-P142 HydrophobicContact CG2-CB 3.2Å; T53-P142 HydrophobicContact CG2-CG 3.37Å; T53-F187 HydrophobicContact CG2-CE2 4.1Å; T53-F187 HydrophobicContact CG2-CZ 3.72Å; T53-F187 WeakPolarHBondContact OG1-CE2 3.33Å; T53-F187 WeakPolarHBondContact OG1-CZ 3.44Å |
| 54 | F | 89.8 | Confident | 86.5 | Confident | 37 Ų | 37 | 25.7 Ų | 25.7 | 16% | 0.162 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 178 | -66.9 | -21.6 | 0 | 0 | 0 | 111.6 | F50 T57 V58 V89 L92 F137 P142 | F50-F54 HydrophobicContact CB-CD2 4.43Å; F50-F54 HydrophobicContact CB-CE2 4.17Å; F50-F54 HydrophobicContact CD1-CE1 4.34Å; F50-F54 AromaticContact CD1-CE2 3.88Å; F50-F54 HydrophobicContact CD1-CE2 3.88Å; F50-F54 AromaticContact CD1-CZ 3.65Å; F50-F54 HydrophobicContact CD1-CZ 3.65Å; F50-F54 HydrophobicContact CE1-CZ 4.31Å; F50-F54 HydrophobicContact CG-CE2 4.46Å; F50-F54 WeakPolarHBondContact O-CB 3.4Å; F50-F54 WeakPolarHBondContact O-CD2 3.35Å; F50-F54 WeakPolarHBondContact O-CG 3.46Å; F50-F54 PolarHBondContact O-N 3.08Å; F54-T57 WeakPolarHBondContact O-CB 3.43Å; F54-T57 PolarHBondContact O-N 3.41Å; F54-V58 WeakPolarHBondContact O-CG2 3.21Å; F54-V58 PolarHBondContact O-N 3.42Å; F54-V89 HydrophobicContact CB-CG1 3.83Å; F54-V89 HydrophobicContact CB-CG2 4.1Å; F54-V89 HydrophobicContact CD2-CG1 4.4Å; F54-L92 HydrophobicContact CD2-CB 4.27Å; F54-L92 HydrophobicContact CE2-CB 3.84Å; F54-F137 WeakPolarHBondContact CE1-O 3.21Å; F54-P142 HydrophobicContact CD1-CG 4.48Å; F54-P142 HydrophobicContact CE1-CG 4.36Å |
| 55 | T | 86.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 176.5 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | Y4 L8 I51 S52 T53 T57 V58 M59 | Y4-T55 VanDerWaalsContact O-CG2 3.3Å; Y4-T55 WeakPolarHBondContact O-CG2 3.26Å; L8-T55 HydrophobicContact CB-CG2 4.17Å; I51-T55 WeakPolarHBondContact O-CB 3.26Å; I51-T55 PolarHBondContact O-N 3.06Å; I51-T55 PolarHBondContact O-OG1 2.96Å; S52-T55 PolarHBondContact O-N 2.88Å; T53-T55 VanDerWaalsContact C-N 3.33Å; T53-T55 PolarHBondContact O-N 3.23Å; T55-T57 VanDerWaalsContact C-N 3.3Å; T55-T57 PolarHBondContact O-N 3.12Å; T55-V58 PolarHBondContact O-N 2.96Å; T55-M59 HydrophobicContact CG2-CE 3.89Å; T55-M59 HydrophobicContact CG2-SD 4.46Å; T55-M59 WeakPolarHBondContact O-CB 3.37Å; T55-M59 VanDerWaalsContact O-CG 3.31Å; T55-M59 WeakPolarHBondContact O-CG 3.35Å; T55-M59 PolarHBondContact O-N 3.34Å |
| 56 | L | 82.8 | Confident | 86.2 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 5% | 0.047 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 173.3 | -76.1 | 170.2 | 0 | 0 | 0 | 112.3 | S52 T53 M59 S60 I146 V183 F187 | S52-L56 WeakPolarHBondContact O-CB 3.42Å; S52-L56 VanDerWaalsContact O-CG 3.29Å; S52-L56 WeakPolarHBondContact O-CG 3.46Å; S52-L56 PolarHBondContact O-N 2.92Å; T53-L56 PolarHBondContact O-N 2.93Å; L56-M59 HydrophobicContact CD2-CE 3.91Å; L56-M59 HydrophobicContact CG-CE 4.41Å; L56-M59 PolarHBondContact O-N 3.48Å; L56-S60 WeakPolarHBondContact O-CB 3.29Å; L56-S60 PolarHBondContact O-N 3.22Å; L56-S60 PolarHBondContact O-OG 3.09Å; L56-I146 HydrophobicContact CB-CD1 4.33Å; L56-V183 HydrophobicContact CD2-CG1 4.46Å; L56-F187 HydrophobicContact CD1-CD2 3.8Å; L56-F187 HydrophobicContact CD1-CE2 4.1Å |
| 57 | T | 89 | Confident | 85.8 | Confident | 10 Ų | 10 | 23.7 Ų | 23.7 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.5 | -50.3 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 111 | T53 F54 T55 M59 S60 M61 P142 I145 I146 | T53-T57 PolarHBondContact O-N 2.91Å; T53-T57 PolarHBondContact O-OG1 3.24Å; F54-T57 WeakPolarHBondContact O-CB 3.43Å; F54-T57 PolarHBondContact O-N 3.41Å; T55-T57 VanDerWaalsContact C-N 3.3Å; T55-T57 PolarHBondContact O-N 3.12Å; T57-M59 VanDerWaalsContact C-N 3.32Å; T57-M59 PolarHBondContact O-N 2.94Å; T57-S60 WeakPolarHBondContact O-CB 3.33Å; T57-S60 PolarHBondContact O-N 3.38Å; T57-S60 VanDerWaalsContact O-N 3.13Å; T57-M61 HydrophobicContact CG2-SD 4.37Å; T57-M61 WeakPolarHBondContact O-CG 3.4Å; T57-M61 PolarHBondContact O-N 3.26Å; T57-P142 WeakPolarHBondContact OG1-CB 3.37Å; T57-I145 HydrophobicContact CG2-CB 3.89Å; T57-I145 HydrophobicContact CG2-CD1 4.2Å; T57-I145 HydrophobicContact CG2-CG2 3.51Å; T57-I146 HydrophobicContact CG2-CG1 4.48Å |
| 58 | V | 88.8 | Confident | 85.6 | Confident | 27 Ų | 27 | 22.4 Ų | 22.4 | 16% | 0.164 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 177 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | Y4 F54 T55 S60 M61 D62 V85 V89 | Y4-V58 HydrophobicContact CD1-CG1 4.15Å; Y4-V58 HydrophobicContact CD2-CG1 4.25Å; Y4-V58 HydrophobicContact CE1-CG1 3.66Å; Y4-V58 HydrophobicContact CE2-CG1 3.77Å; Y4-V58 HydrophobicContact CG-CG1 4.43Å; Y4-V58 VanDerWaalsContact CZ-CG1 3.44Å; F54-V58 WeakPolarHBondContact O-CG2 3.21Å; F54-V58 PolarHBondContact O-N 3.42Å; T55-V58 PolarHBondContact O-N 2.96Å; V58-S60 VanDerWaalsContact C-N 3.33Å; V58-S60 PolarHBondContact O-N 2.99Å; V58-M61 PolarHBondContact O-N 3.33Å; V58-D62 WeakPolarHBondContact O-CB 3.17Å; V58-D62 PolarHBondContact O-N 3.13Å; V58-V85 HydrophobicContact CB-CG1 4.38Å; V58-V85 HydrophobicContact CG1-CG1 3.64Å; V58-V85 HydrophobicContact CG2-CG1 3.78Å; V58-V89 HydrophobicContact CG2-CG2 4.21Å |
| 59 | M | 83.6 | Confident | 85.4 | Confident | 12 Ų | 12 | 25.2 Ų | 25.2 | 6% | 0.059 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 176 | -75 | -170.6 | -65.8 | 0 | 0 | 112.1 | Y4 I5 L8 T55 L56 T57 D62 R63 Y234 | Y4-M59 HydrophobicContact CD2-CG 4.02Å; Y4-M59 HydrophobicContact CG-CG 4.14Å; I5-M59 HydrophobicContact CG1-SD 4.24Å; L8-M59 HydrophobicContact CD2-CE 3.97Å; T55-M59 HydrophobicContact CG2-CE 3.89Å; T55-M59 HydrophobicContact CG2-SD 4.46Å; T55-M59 WeakPolarHBondContact O-CB 3.37Å; T55-M59 VanDerWaalsContact O-CG 3.31Å; T55-M59 WeakPolarHBondContact O-CG 3.35Å; T55-M59 PolarHBondContact O-N 3.34Å; L56-M59 HydrophobicContact CD2-CE 3.91Å; L56-M59 HydrophobicContact CG-CE 4.41Å; L56-M59 PolarHBondContact O-N 3.48Å; T57-M59 VanDerWaalsContact C-N 3.32Å; T57-M59 PolarHBondContact O-N 2.94Å; M59-D62 PolarHBondContact O-N 3.41Å; M59-R63 VanDerWaalsContact O-CG 3.24Å; M59-R63 WeakPolarHBondContact O-CG 3.32Å; M59-R63 PolarHBondContact O-N 3.24Å; M59-Y234 HydrophobicContact CE-CE1 4.19Å; M59-Y234 WeakPolarHBondContact CE-OH 3.24Å; M59-Y234 HydrophobicContact SD-CE1 4.13Å |
| 60 | S | 83.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -41 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | L56 T57 V58 R63 Y64 Y150 | L56-S60 WeakPolarHBondContact O-CB 3.29Å; L56-S60 PolarHBondContact O-N 3.22Å; L56-S60 PolarHBondContact O-OG 3.09Å; T57-S60 WeakPolarHBondContact O-CB 3.33Å; T57-S60 PolarHBondContact O-N 3.38Å; T57-S60 VanDerWaalsContact O-N 3.13Å; V58-S60 VanDerWaalsContact C-N 3.33Å; V58-S60 PolarHBondContact O-N 2.99Å; S60-R63 PolarHBondContact O-N 2.95Å; S60-Y64 WeakPolarHBondContact O-CB 3.31Å; S60-Y64 PolarHBondContact O-N 2.81Å; S60-Y150 WeakPolarHBondContact OG-CE2 3.19Å; S60-Y150 PolarHBondContact OG-OH 3.39Å |
| 61 | M | 87.5 | Confident | 85 | Confident | 91 Ų | 91 | 33.4 Ų | 33.4 | 45% | 0.448 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.7 | -44.9 | 173.6 | -68.1 | 175.4 | 71.4 | 0 | 0 | 112.4 | T57 V58 R63 Y64 V65 I145 | T57-M61 HydrophobicContact CG2-SD 4.37Å; T57-M61 WeakPolarHBondContact O-CG 3.4Å; T57-M61 PolarHBondContact O-N 3.26Å; V58-M61 PolarHBondContact O-N 3.33Å; M61-R63 VanDerWaalsContact C-N 3.26Å; M61-R63 PolarHBondContact O-N 2.89Å; M61-Y64 WeakPolarHBondContact O-CB 3.37Å; M61-Y64 PolarHBondContact O-N 2.86Å; M61-V65 WeakPolarHBondContact O-CG2 3.49Å; M61-V65 PolarHBondContact O-N 2.93Å; M61-I145 HydrophobicContact CG-CG2 4.15Å; M61-I145 HydrophobicContact SD-CG2 4.13Å |
| 62 | D | 85.4 | Confident | 84.9 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.9 | -44.5 | 175.5 | 175.4 | 68.1 | 0 | 0 | 0 | 110.8 | T1 V58 M59 A66 R77 | T1-D62 PolarHBondContact OG1-OD2 3.41Å; V58-D62 WeakPolarHBondContact O-CB 3.17Å; V58-D62 PolarHBondContact O-N 3.13Å; M59-D62 PolarHBondContact O-N 3.41Å; D62-A66 WeakPolarHBondContact O-CB 3.5Å; D62-A66 PolarHBondContact O-N 3.38Å; D62-R77 IonicContact OD1-CZ 3.56Å; D62-R77 IonicContact OD1-NE 2.77Å; D62-R77 PolarHBondContact OD1-NE 2.87Å; D62-R77 IonicContact OD1-NH2 3.49Å; D62-R77 PolarHBondContact OD1-NH2 2.99Å; D62-R77 IonicContact OD2-CZ 3.59Å; D62-R77 IonicContact OD2-NE 3.59Å; D62-R77 IonicContact OD2-NH2 2.8Å; D62-R77 PolarHBondContact OD2-NH2 2.72Å |
| 63 | R | 80.3 | Confident | 84.8 | Confident | 77 Ų | 77 | 40 Ų | 40 | 29% | 0.291 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.8 | -42.9 | 177.6 | -67.7 | -69.8 | 147 | 171.7 | 4.6 | 112.2 | T1 M59 S60 M61 V65 A66 V67 D238 | T1-R63 VanDerWaalsContact CG2-NH2 3.32Å; T1-R63 PolarHBondContact OG1-NH2 2.75Å; M59-R63 VanDerWaalsContact O-CG 3.24Å; M59-R63 WeakPolarHBondContact O-CG 3.32Å; M59-R63 PolarHBondContact O-N 3.24Å; S60-R63 PolarHBondContact O-N 2.95Å; M61-R63 VanDerWaalsContact C-N 3.26Å; M61-R63 PolarHBondContact O-N 2.89Å; R63-V65 PolarHBondContact O-N 3.45Å; R63-A66 PolarHBondContact O-N 2.87Å; R63-V67 WeakPolarHBondContact O-CG2 3.29Å; R63-V67 PolarHBondContact O-N 2.98Å; R63-V67 VanDerWaalsContact O-N 3.09Å; R63-D238 IonicContact NH2-OD2 3.97Å |
| 64 | Y | 85.4 | Confident | 84.6 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57 | -48.9 | 174.2 | 166.5 | -100.9 | 0 | 0 | 0 | 111.7 | S60 M61 V67 C68 H69 C149 L152 M153 | S60-Y64 WeakPolarHBondContact O-CB 3.31Å; S60-Y64 PolarHBondContact O-N 2.81Å; M61-Y64 WeakPolarHBondContact O-CB 3.37Å; M61-Y64 PolarHBondContact O-N 2.86Å; Y64-V67 PolarHBondContact O-N 3.23Å; Y64-C68 HydrophobicContact CD2-CB 4.09Å; Y64-C68 VanDerWaalsContact CD2-SG 3.52Å; Y64-C68 HydrophobicContact CE2-CB 3.7Å; Y64-C68 WeakPolarHBondContact CE2-SG 3.35Å; Y64-C68 VanDerWaalsContact O-CB 3.25Å; Y64-C68 WeakPolarHBondContact O-CB 3.44Å; Y64-C68 PolarHBondContact O-N 3.38Å; Y64-H69 AromaticContact CE1-CD2 3.85Å; Y64-H69 AromaticContact CE1-NE2 3.89Å; Y64-H69 AromaticContact CZ-CD2 3.95Å; Y64-H69 AromaticContact CZ-NE2 3.64Å; Y64-H69 PolarHBondContact OH-NE2 2.91Å; Y64-C149 WeakPolarHBondContact CD2-O 3.08Å; Y64-C149 HydrophobicContact CG-CB 4.49Å; Y64-L152 HydrophobicContact CD2-CB 4.11Å; Y64-L152 HydrophobicContact CE2-CB 3.56Å; Y64-L152 HydrophobicContact CE2-CD1 4.15Å; Y64-M153 HydrophobicContact CD2-CB 4.31Å |
| 65 | V | 86 | Confident | 84.4 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 179.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | M61 R63 V67 H69 A73 M76 | M61-V65 WeakPolarHBondContact O-CG2 3.49Å; M61-V65 PolarHBondContact O-N 2.93Å; R63-V65 PolarHBondContact O-N 3.45Å; V65-V67 PolarHBondContact O-N 2.85Å; V65-H69 CarbonylContact O-C 3.2Å; V65-H69 WeakPolarHBondContact O-CA 3.43Å; V65-H69 PolarHBondContact O-N 3.31Å; V65-A73 HydrophobicContact CG1-CB 4.08Å; V65-M76 HydrophobicContact CG1-SD 3.88Å; V65-M76 HydrophobicContact CG2-CE 4.44Å; V65-M76 HydrophobicContact CG2-SD 4.45Å |
| 66 | A | 81.7 | Confident | 84.2 | Confident | 25 Ų | 25 | 55 Ų | 55 | 21% | 0.207 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -35.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D62 R63 | D62-A66 WeakPolarHBondContact O-CB 3.5Å; D62-A66 PolarHBondContact O-N 3.38Å; R63-A66 PolarHBondContact O-N 2.87Å |
| 67 | V | 78 | Confident | 84.3 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -90.4 | -45.3 | -176.2 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | R63 Y64 V65 M153 L157 | R63-V67 WeakPolarHBondContact O-CG2 3.29Å; R63-V67 PolarHBondContact O-N 2.98Å; R63-V67 VanDerWaalsContact O-N 3.09Å; Y64-V67 PolarHBondContact O-N 3.23Å; V65-V67 PolarHBondContact O-N 2.85Å; V67-M153 HydrophobicContact CB-CG 4.02Å; V67-M153 HydrophobicContact CB-SD 4.37Å; V67-M153 HydrophobicContact CG1-CG 3.86Å; V67-M153 HydrophobicContact CG2-CG 4.4Å; V67-M153 HydrophobicContact CG2-SD 4.16Å; V67-L157 HydrophobicContact CG1-CD1 3.97Å; V67-L157 HydrophobicContact CG1-CD2 3.57Å; V67-L157 HydrophobicContact CG1-CG 3.73Å |
| 68 | C | 83.1 | Confident | 84.2 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -84.9 | -28.5 | -173.4 | -65.3 | 0 | 0 | 0 | 0 | 113 | Y64 R156 | Y64-C68 HydrophobicContact CD2-CB 4.09Å; Y64-C68 VanDerWaalsContact CD2-SG 3.52Å; Y64-C68 HydrophobicContact CE2-CB 3.7Å; Y64-C68 WeakPolarHBondContact CE2-SG 3.35Å; Y64-C68 VanDerWaalsContact O-CB 3.25Å; Y64-C68 WeakPolarHBondContact O-CB 3.44Å; Y64-C68 PolarHBondContact O-N 3.38Å; C68-R156 HydrophobicContact CB-CG 4.3Å |
| 69 | H | 84.8 | Confident | 83.9 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | trans | -134.7 | 63.1 | -172.5 | -57.9 | -75.3 | 0 | 0 | 0 | 111.4 | Y64 V65 V71 K72 A73 | Y64-H69 AromaticContact CE1-CD2 3.85Å; Y64-H69 AromaticContact CE1-NE2 3.89Å; Y64-H69 AromaticContact CZ-CD2 3.95Å; Y64-H69 AromaticContact CZ-NE2 3.64Å; Y64-H69 PolarHBondContact OH-NE2 2.91Å; V65-H69 CarbonylContact O-C 3.2Å; V65-H69 WeakPolarHBondContact O-CA 3.43Å; V65-H69 PolarHBondContact O-N 3.31Å; H69-V71 VanDerWaalsContact C-N 3.28Å; H69-V71 PolarHBondContact O-N 3.26Å; H69-K72 HydrophobicContact CB-CB 4.09Å; H69-K72 HydrophobicContact CB-CD 4.24Å; H69-K72 HydrophobicContact CB-CG 4.38Å; H69-K72 PolarHBondContact O-N 3.48Å; H69-K72 VanDerWaalsContact O-N 3.12Å; H69-A73 PolarHBondContact O-N 3.5Å | ||
| 70 | P | 81.3 | Confident | 84 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -33.6 | -170.7 | 23.8 | -34.7 | 0 | 0 | 0 | 113.8 | A73 | P70-A73 WeakPolarHBondContact O-CB 3.24Å; P70-A73 PolarHBondContact O-N 3.32Å |
| 71 | V | 86 | Confident | 84.2 | Confident | 112 Ų | 112 | 75.1 Ų | 75.1 | 68% | 0.679 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.2 | -47.9 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | H69 A73 L74 | H69-V71 VanDerWaalsContact C-N 3.28Å; H69-V71 PolarHBondContact O-N 3.26Å; V71-A73 PolarHBondContact O-N 2.95Å; V71-L74 WeakPolarHBondContact O-CB 3.16Å; V71-L74 PolarHBondContact O-N 3.31Å |
| 72 | K | 85.5 | Confident | 84.1 | Confident | 128 Ų | 128 | 71.4 Ų | 71.4 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.6 | -30.2 | 175.7 | -64.5 | -175.7 | 179.4 | 179.4 | 0 | 112.1 | H69 L74 D75 M76 | H69-K72 HydrophobicContact CB-CB 4.09Å; H69-K72 HydrophobicContact CB-CD 4.24Å; H69-K72 HydrophobicContact CB-CG 4.38Å; H69-K72 PolarHBondContact O-N 3.48Å; H69-K72 VanDerWaalsContact O-N 3.12Å; K72-L74 PolarHBondContact O-N 2.91Å; K72-D75 PolarHBondContact O-N 3.39Å; K72-M76 WeakPolarHBondContact O-CB 3.4Å; K72-M76 WeakPolarHBondContact O-CG 3.42Å; K72-M76 PolarHBondContact O-N 3.01Å |
| 73 | A | 83.9 | Confident | 84.1 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -30.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V65 H69 P70 V71 D75 M76 R77 | V65-A73 HydrophobicContact CG1-CB 4.08Å; H69-A73 PolarHBondContact O-N 3.5Å; P70-A73 WeakPolarHBondContact O-CB 3.24Å; P70-A73 PolarHBondContact O-N 3.32Å; V71-A73 PolarHBondContact O-N 2.95Å; A73-D75 VanDerWaalsContact C-N 3.33Å; A73-D75 PolarHBondContact O-N 3.22Å; A73-M76 PolarHBondContact O-N 2.94Å; A73-R77 HydrophobicContact CB-CG 4.43Å; A73-R77 VanDerWaalsContact O-CB 3.29Å; A73-R77 WeakPolarHBondContact O-CB 3.2Å; A73-R77 VanDerWaalsContact O-CG 3.31Å; A73-R77 WeakPolarHBondContact O-CG 3.22Å; A73-R77 PolarHBondContact O-N 3.43Å |
| 74 | L | 82.6 | Confident | 84.7 | Confident | 139 Ų | 139 | 76.5 Ų | 76.5 | 73% | 0.728 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 176.2 | -64.3 | 170.9 | 0 | 0 | 0 | 111.4 | V71 K72 | V71-L74 WeakPolarHBondContact O-CB 3.16Å; V71-L74 PolarHBondContact O-N 3.31Å; K72-L74 PolarHBondContact O-N 2.91Å |
| 75 | D | 86.4 | Confident | 84.9 | Confident | 113 Ų | 113 | 76.4 Ų | 76.4 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -82.7 | -30.7 | 180 | -61.8 | -28.7 | 0 | 0 | 0 | 113 | K72 A73 K81 | K72-D75 PolarHBondContact O-N 3.39Å; A73-D75 VanDerWaalsContact C-N 3.33Å; A73-D75 PolarHBondContact O-N 3.22Å; D75-K81 PolarHBondContact O-NZ 2.85Å |
| 76 | M | 83.8 | Confident | 85 | Confident | 101 Ų | 101 | 76.9 Ų | 76.9 | 50% | 0.498 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -83.2 | -37 | -175.2 | -72.4 | -173.3 | 70.4 | 0 | 0 | 113.2 | V65 K72 A73 T78 K81 | V65-M76 HydrophobicContact CG1-SD 3.88Å; V65-M76 HydrophobicContact CG2-CE 4.44Å; V65-M76 HydrophobicContact CG2-SD 4.45Å; K72-M76 WeakPolarHBondContact O-CB 3.4Å; K72-M76 WeakPolarHBondContact O-CG 3.42Å; K72-M76 PolarHBondContact O-N 3.01Å; A73-M76 PolarHBondContact O-N 2.94Å; M76-T78 PolarHBondContact O-N 3.48Å; M76-K81 WeakPolarHBondContact O-CD 3.23Å |
| 77 | R | 84.6 | Confident | 85.5 | Confident | 105 Ų | 105 | 80 Ų | 80 | 40% | 0.396 | 42% | 0.421 | S | S | . | . | trans | -87.7 | 51.6 | -171.7 | -59.4 | -177.6 | 84.1 | -156.1 | 5.6 | 112.3 | T1 D62 A73 | T1-R77 PolarHBondContact OG1-NH2 3.25Å; D62-R77 IonicContact OD1-CZ 3.56Å; D62-R77 IonicContact OD1-NE 2.77Å; D62-R77 PolarHBondContact OD1-NE 2.87Å; D62-R77 IonicContact OD1-NH2 3.49Å; D62-R77 PolarHBondContact OD1-NH2 2.99Å; D62-R77 IonicContact OD2-CZ 3.59Å; D62-R77 IonicContact OD2-NE 3.59Å; D62-R77 IonicContact OD2-NH2 2.8Å; D62-R77 PolarHBondContact OD2-NH2 2.72Å; A73-R77 HydrophobicContact CB-CG 4.43Å; A73-R77 VanDerWaalsContact O-CB 3.29Å; A73-R77 WeakPolarHBondContact O-CB 3.2Å; A73-R77 VanDerWaalsContact O-CG 3.31Å; A73-R77 WeakPolarHBondContact O-CG 3.22Å; A73-R77 PolarHBondContact O-N 3.43Å | ||
| 78 | T | 87.1 | Confident | 86.1 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | trans | -91.4 | 147.9 | 174.5 | 63.1 | 0 | 0 | 0 | 0 | 111 | M76 H80 K81 A82 | M76-T78 PolarHBondContact O-N 3.48Å; T78-H80 PolarHBondContact O-N 2.95Å; T78-K81 PolarHBondContact O-N 3.41Å; T78-K81 WeakPolarHBondContact OG1-CB 3.29Å; T78-K81 VanDerWaalsContact OG1-CG 3.25Å; T78-K81 WeakPolarHBondContact OG1-CG 3.31Å; T78-K81 PolarHBondContact OG1-N 2.92Å; T78-A82 PolarHBondContact O-N 3.15Å | ||
| 79 | P | 80.8 | Confident | 86.5 | Confident | 94 Ų | 94 | 80.6 Ų | 80.6 | 61% | 0.61 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.1 | -31.9 | 178.6 | 23.9 | -33.2 | 0 | 0 | 0 | 112.2 | K83 | P79-K83 WeakPolarHBondContact O-CG 3.46Å; P79-K83 PolarHBondContact O-N 2.95Å |
| 80 | H | 86.3 | Confident | 86.8 | Confident | 136 Ų | 136 | 81.1 Ų | 81.1 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.8 | -51.5 | 175.2 | -176.8 | -86.1 | 0 | 0 | 0 | 111.7 | T78 A82 K83 V84 | T78-H80 PolarHBondContact O-N 2.95Å; H80-A82 VanDerWaalsContact C-N 3.29Å; H80-A82 PolarHBondContact O-N 3.2Å; H80-K83 PolarHBondContact O-N 3.36Å; H80-K83 VanDerWaalsContact O-N 3.17Å; H80-V84 WeakPolarHBondContact O-CG2 3.15Å; H80-V84 PolarHBondContact O-N 3.07Å |
| 81 | K | 88.6 | Confident | 87.3 | Confident | 99 Ų | 99 | 81.9 Ų | 81.9 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 177.7 | -71.4 | 177.7 | -178.2 | 175.2 | 0 | 111.5 | D75 M76 T78 K83 V84 V85 | D75-K81 PolarHBondContact O-NZ 2.85Å; M76-K81 WeakPolarHBondContact O-CD 3.23Å; T78-K81 PolarHBondContact O-N 3.41Å; T78-K81 WeakPolarHBondContact OG1-CB 3.29Å; T78-K81 VanDerWaalsContact OG1-CG 3.25Å; T78-K81 WeakPolarHBondContact OG1-CG 3.31Å; T78-K81 PolarHBondContact OG1-N 2.92Å; K81-K83 PolarHBondContact O-N 3.16Å; K81-V84 PolarHBondContact O-N 3.25Å; K81-V85 VanDerWaalsContact O-CG2 3.31Å; K81-V85 WeakPolarHBondContact O-CG2 3.26Å; K81-V85 PolarHBondContact O-N 2.73Å |
| 82 | A | 84.9 | Confident | 87.5 | Confident | 13 Ų | 13 | 81.3 Ų | 81.3 | 11% | 0.107 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L3 Y4 T78 H80 N86 | L3-A82 HydrophobicContact CD1-CB 4.03Å; Y4-A82 HydrophobicContact CE1-CB 4.41Å; Y4-A82 WeakPolarHBondContact OH-CA 3.4Å; T78-A82 PolarHBondContact O-N 3.15Å; H80-A82 VanDerWaalsContact C-N 3.29Å; H80-A82 PolarHBondContact O-N 3.2Å; A82-N86 WeakPolarHBondContact O-CB 3.46Å; A82-N86 PolarHBondContact O-N 2.64Å |
| 83 | K | 86.1 | Confident | 87.7 | Confident | 131 Ų | 131 | 75.2 Ų | 75.2 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.6 | -45.5 | 173.7 | -74.1 | 177.8 | -179.2 | -175.2 | 0 | 111.9 | L3 P79 H80 K81 V85 N86 V87 | L3-K83 HydrophobicContact CD1-CG 4.08Å; P79-K83 WeakPolarHBondContact O-CG 3.46Å; P79-K83 PolarHBondContact O-N 2.95Å; H80-K83 PolarHBondContact O-N 3.36Å; H80-K83 VanDerWaalsContact O-N 3.17Å; K81-K83 PolarHBondContact O-N 3.16Å; K83-V85 PolarHBondContact O-N 2.99Å; K83-N86 WeakPolarHBondContact O-CB 3.24Å; K83-N86 PolarHBondContact O-N 3.34Å; K83-V87 WeakPolarHBondContact O-CG2 3.45Å; K83-V87 PolarHBondContact O-N 3.43Å |
| 84 | V | 91.2 | Very high | 88 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | H80 K81 N86 V87 C88 | H80-V84 WeakPolarHBondContact O-CG2 3.15Å; H80-V84 PolarHBondContact O-N 3.07Å; K81-V84 PolarHBondContact O-N 3.25Å; V84-N86 VanDerWaalsContact C-N 3.27Å; V84-N86 PolarHBondContact O-N 3.24Å; V84-V87 PolarHBondContact O-N 3.35Å; V84-C88 PolarHBondContact O-N 3.09Å; V84-C88 PolarHBondContact O-SG 2.98Å |
| 85 | V | 90.9 | Very high | 88.2 | Confident | 50 Ų | 50 | 73 Ų | 73 | 30% | 0.303 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | Y4 V58 K81 K83 C88 V89 | Y4-V85 HydrophobicContact CE1-CB 4.39Å; Y4-V85 HydrophobicContact CE1-CG1 4.12Å; V58-V85 HydrophobicContact CB-CG1 4.38Å; V58-V85 HydrophobicContact CG1-CG1 3.64Å; V58-V85 HydrophobicContact CG2-CG1 3.78Å; K81-V85 VanDerWaalsContact O-CG2 3.31Å; K81-V85 WeakPolarHBondContact O-CG2 3.26Å; K81-V85 PolarHBondContact O-N 2.73Å; K83-V85 PolarHBondContact O-N 2.99Å; V85-C88 WeakPolarHBondContact O-CB 3.36Å; V85-C88 PolarHBondContact O-N 3.48Å; V85-V89 WeakPolarHBondContact O-CG2 3.15Å; V85-V89 PolarHBondContact O-N 2.97Å |
| 86 | N | 88.2 | Confident | 87.9 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 18% | 0.176 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 176.8 | -158.1 | 59.1 | 0 | 0 | 0 | 111.9 | N7 A82 K83 V84 C88 V89 W90 | N7-N86 VanDerWaalsContact CB-OD1 3.29Å; N7-N86 WeakPolarHBondContact CB-OD1 3.21Å; N7-N86 PolarHBondContact ND2-OD1 3.01Å; N7-N86 PolarHBondContact OD1-ND2 2.87Å; N7-N86 VanDerWaalsContact OD1-ND2 3.17Å; N7-N86 PolarHBondContact OD1-OD1 2.99Å; A82-N86 WeakPolarHBondContact O-CB 3.46Å; A82-N86 PolarHBondContact O-N 2.64Å; K83-N86 WeakPolarHBondContact O-CB 3.24Å; K83-N86 PolarHBondContact O-N 3.34Å; V84-N86 VanDerWaalsContact C-N 3.27Å; V84-N86 PolarHBondContact O-N 3.24Å; N86-C88 VanDerWaalsContact C-N 3.28Å; N86-C88 PolarHBondContact O-N 3.35Å; N86-V89 WeakPolarHBondContact O-CB 3.21Å; N86-V89 PolarHBondContact O-N 3.28Å; N86-V89 VanDerWaalsContact O-N 3.12Å; N86-W90 VanDerWaalsContact O-CD1 3.27Å; N86-W90 PolarHBondContact O-N 3.29Å; N86-W90 VanDerWaalsContact O-N 3.09Å |
| 87 | V | 90.8 | Very high | 87.7 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | K83 V84 V89 W90 V91 | K83-V87 WeakPolarHBondContact O-CG2 3.45Å; K83-V87 PolarHBondContact O-N 3.43Å; V84-V87 PolarHBondContact O-N 3.35Å; V87-V89 VanDerWaalsContact C-N 3.33Å; V87-V89 PolarHBondContact O-N 3.26Å; V87-W90 PolarHBondContact O-N 3.41Å; V87-V91 HydrophobicContact CG1-CG2 4.3Å; V87-V91 WeakPolarHBondContact O-CG2 3.5Å; V87-V91 PolarHBondContact O-N 3.1Å |
| 88 | C | 92.3 | Very high | 87.7 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 43% | 0.432 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | V84 V85 N86 W90 V91 L92 | V84-C88 PolarHBondContact O-N 3.09Å; V84-C88 PolarHBondContact O-SG 2.98Å; V85-C88 WeakPolarHBondContact O-CB 3.36Å; V85-C88 PolarHBondContact O-N 3.48Å; N86-C88 VanDerWaalsContact C-N 3.28Å; N86-C88 PolarHBondContact O-N 3.35Å; C88-W90 VanDerWaalsContact C-N 3.34Å; C88-W90 PolarHBondContact O-N 3.05Å; C88-V91 PolarHBondContact O-N 3.25Å; C88-L92 WeakPolarHBondContact O-CB 3.46Å; C88-L92 VanDerWaalsContact O-CG 3.26Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.47Å |
| 89 | V | 90.9 | Very high | 87.5 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.048 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 175.6 | 166.9 | 0 | 0 | 0 | 0 | 111 | I51 F54 V58 V85 N86 V87 L92 A93 | I51-V89 HydrophobicContact CG1-CG1 4.49Å; I51-V89 HydrophobicContact CG2-CG1 4.33Å; F54-V89 HydrophobicContact CB-CG1 3.83Å; F54-V89 HydrophobicContact CB-CG2 4.1Å; F54-V89 HydrophobicContact CD2-CG1 4.4Å; V58-V89 HydrophobicContact CG2-CG2 4.21Å; V85-V89 WeakPolarHBondContact O-CG2 3.15Å; V85-V89 PolarHBondContact O-N 2.97Å; N86-V89 WeakPolarHBondContact O-CB 3.21Å; N86-V89 PolarHBondContact O-N 3.28Å; N86-V89 VanDerWaalsContact O-N 3.12Å; V87-V89 VanDerWaalsContact C-N 3.33Å; V87-V89 PolarHBondContact O-N 3.26Å; V89-L92 PolarHBondContact O-N 3.39Å; V89-A93 WeakPolarHBondContact O-CB 3.31Å; V89-A93 PolarHBondContact O-N 3.39Å |
| 90 | W | 90.8 | Very high | 87.4 | Confident | 79 Ų | 79 | 58 Ų | 58 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.1 | -81.3 | 91.7 | 0 | 0 | 0 | 112.6 | N7 L10 I51 N86 V87 C88 A93 S94 | N7-W90 PolarHBondContact OD1-NE1 3.26Å; L10-W90 HydrophobicContact CD2-CZ2 4.32Å; I51-W90 HydrophobicContact CD1-CD2 3.83Å; I51-W90 HydrophobicContact CD1-CE3 3.6Å; I51-W90 HydrophobicContact CD1-CH2 3.57Å; I51-W90 HydrophobicContact CD1-CZ2 3.79Å; I51-W90 HydrophobicContact CD1-CZ3 3.47Å; I51-W90 VanDerWaalsContact CD1-CZ3 3.47Å; N86-W90 VanDerWaalsContact O-CD1 3.27Å; N86-W90 PolarHBondContact O-N 3.29Å; N86-W90 VanDerWaalsContact O-N 3.09Å; V87-W90 PolarHBondContact O-N 3.41Å; C88-W90 VanDerWaalsContact C-N 3.34Å; C88-W90 PolarHBondContact O-N 3.05Å; W90-A93 PolarHBondContact O-N 3.1Å; W90-S94 WeakPolarHBondContact O-CB 3.25Å; W90-S94 PolarHBondContact O-N 3.12Å; W90-S94 PolarHBondContact O-OG 3.41Å |
| 91 | V | 92.5 | Very high | 87.3 | Confident | 93 Ų | 93 | 55.1 Ų | 55.1 | 56% | 0.564 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | V87 C88 S94 A95 | V87-V91 HydrophobicContact CG1-CG2 4.3Å; V87-V91 WeakPolarHBondContact O-CG2 3.5Å; V87-V91 PolarHBondContact O-N 3.1Å; C88-V91 PolarHBondContact O-N 3.25Å; V91-S94 PolarHBondContact O-N 2.93Å; V91-A95 PolarHBondContact O-N 2.71Å |
| 92 | L | 90.4 | Very high | 87.1 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.2 | -72.8 | 169.2 | 0 | 0 | 0 | 112 | F54 C88 V89 S94 A95 | F54-L92 HydrophobicContact CD2-CB 4.27Å; F54-L92 HydrophobicContact CE2-CB 3.84Å; C88-L92 WeakPolarHBondContact O-CB 3.46Å; C88-L92 VanDerWaalsContact O-CG 3.26Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.47Å; V89-L92 PolarHBondContact O-N 3.39Å; L92-S94 VanDerWaalsContact C-N 3.32Å; L92-A95 WeakPolarHBondContact O-CB 3.5Å; L92-A95 PolarHBondContact O-N 3.17Å |
| 93 | A | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y47 F50 I51 V89 W90 A95 V96 G97 | Y47-A93 HydrophobicContact CD1-CB 4.09Å; Y47-A93 HydrophobicContact CE1-CB 4.43Å; F50-A93 HydrophobicContact CB-CB 3.81Å; I51-A93 HydrophobicContact CD1-CB 4.43Å; I51-A93 HydrophobicContact CG1-CB 3.68Å; V89-A93 WeakPolarHBondContact O-CB 3.31Å; V89-A93 PolarHBondContact O-N 3.39Å; W90-A93 PolarHBondContact O-N 3.1Å; A93-A95 VanDerWaalsContact C-N 3.32Å; A93-A95 PolarHBondContact O-N 3.08Å; A93-V96 PolarHBondContact O-N 3.48Å; A93-G97 PolarHBondContact O-N 3.32Å |
| 94 | S | 88.8 | Confident | 86.8 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 178 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | Y47 W90 V91 L92 V96 G97 V98 | Y47-S94 WeakPolarHBondContact CE1-OG 3.36Å; Y47-S94 WeakPolarHBondContact OH-CA 3.22Å; W90-S94 WeakPolarHBondContact O-CB 3.25Å; W90-S94 PolarHBondContact O-N 3.12Å; W90-S94 PolarHBondContact O-OG 3.41Å; V91-S94 PolarHBondContact O-N 2.93Å; L92-S94 VanDerWaalsContact C-N 3.32Å; S94-V96 PolarHBondContact O-N 2.68Å; S94-V96 VanDerWaalsContact O-N 3.12Å; S94-G97 PolarHBondContact O-N 2.85Å; S94-V98 VanDerWaalsContact O-CB 3.31Å; S94-V98 WeakPolarHBondContact O-CB 3.39Å; S94-V98 WeakPolarHBondContact O-CG2 3.31Å; S94-V98 PolarHBondContact O-N 2.91Å |
| 95 | A | 87.6 | Confident | 86.5 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 56% | 0.562 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.1 | -23.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V91 L92 A93 P99 | V91-A95 PolarHBondContact O-N 2.71Å; L92-A95 WeakPolarHBondContact O-CB 3.5Å; L92-A95 PolarHBondContact O-N 3.17Å; A93-A95 VanDerWaalsContact C-N 3.32Å; A93-A95 PolarHBondContact O-N 3.08Å; A95-P99 WeakPolarHBondContact O-CD 3.46Å; A95-P99 WeakPolarHBondContact O-CG 3.26Å |
| 96 | V | 80.2 | Confident | 86.3 | Confident | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -102.8 | -42.3 | 173.6 | -171.4 | 0 | 0 | 0 | 0 | 112 | F50 A93 S94 V98 P99 V100 F130 | F50-V96 HydrophobicContact CD2-CB 4.24Å; F50-V96 HydrophobicContact CD2-CG1 4.29Å; F50-V96 HydrophobicContact CE1-CG1 4.49Å; F50-V96 HydrophobicContact CE1-CG2 4.22Å; F50-V96 HydrophobicContact CE2-CB 3.79Å; F50-V96 HydrophobicContact CE2-CG1 3.4Å; F50-V96 VanDerWaalsContact CE2-CG1 3.4Å; F50-V96 HydrophobicContact CE2-CG2 4.37Å; F50-V96 HydrophobicContact CZ-CB 3.95Å; F50-V96 HydrophobicContact CZ-CG1 3.54Å; F50-V96 HydrophobicContact CZ-CG2 4.04Å; A93-V96 PolarHBondContact O-N 3.48Å; S94-V96 PolarHBondContact O-N 2.68Å; S94-V96 VanDerWaalsContact O-N 3.12Å; V96-V98 PolarHBondContact O-N 3.31Å; V96-P99 VanDerWaalsContact O-CD 3.3Å; V96-P99 WeakPolarHBondContact O-CD 3.48Å; V96-V100 VanDerWaalsContact O-CG2 3.3Å; V96-V100 WeakPolarHBondContact O-CG2 3.3Å; V96-V100 PolarHBondContact O-N 3.2Å; V96-F130 HydrophobicContact CG1-CE2 4.42Å |
| 97 | G | 80.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -34.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A93 S94 V100 M101 | A93-G97 PolarHBondContact O-N 3.32Å; S94-G97 PolarHBondContact O-N 2.85Å; G97-V100 WeakPolarHBondContact O-CB 3.39Å; G97-V100 PolarHBondContact O-N 2.97Å; G97-M101 PolarHBondContact O-N 3.29Å |
| 98 | V | 85.1 | Confident | 86 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.4 | -50.9 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | Y47 S94 V96 V100 M101 F102 | Y47-V98 WeakPolarHBondContact OH-CG2 3.38Å; S94-V98 VanDerWaalsContact O-CB 3.31Å; S94-V98 WeakPolarHBondContact O-CB 3.39Å; S94-V98 WeakPolarHBondContact O-CG2 3.31Å; S94-V98 PolarHBondContact O-N 2.91Å; V96-V98 PolarHBondContact O-N 3.31Å; V98-V100 PolarHBondContact O-N 3.19Å; V98-M101 WeakPolarHBondContact O-CB 3.34Å; V98-M101 PolarHBondContact O-N 3.19Å; V98-M101 VanDerWaalsContact O-N 3.1Å; V98-F102 HydrophobicContact CG1-CD2 3.89Å; V98-F102 HydrophobicContact CG1-CE2 3.57Å; V98-F102 VanDerWaalsContact O-CD2 3.26Å; V98-F102 WeakPolarHBondContact O-CD2 3.12Å; V98-F102 PolarHBondContact O-N 3.43Å |
| 99 | P | 82.2 | Confident | 85.3 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -50.9 | -42.7 | 171.7 | -29.9 | 33.3 | 0 | 0 | 0 | 113.4 | A95 V96 M101 F102 H103 | A95-P99 WeakPolarHBondContact O-CD 3.46Å; A95-P99 WeakPolarHBondContact O-CG 3.26Å; V96-P99 VanDerWaalsContact O-CD 3.3Å; V96-P99 WeakPolarHBondContact O-CD 3.48Å; P99-M101 PolarHBondContact O-N 2.79Å; P99-F102 PolarHBondContact O-N 3.18Å; P99-H103 PolarHBondContact O-CD2 2.84Å; P99-H103 PolarHBondContact O-N 2.8Å |
| 100 | V | 78.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 112 | Y46 V96 G97 V98 F102 H103 Q104 F130 | Y46-V100 HydrophobicContact CD1-CG1 4.27Å; Y46-V100 HydrophobicContact CD1-CG2 3.88Å; Y46-V100 HydrophobicContact CD2-CG1 3.76Å; Y46-V100 HydrophobicContact CE1-CG2 4.06Å; Y46-V100 HydrophobicContact CE2-CG1 4.05Å; Y46-V100 HydrophobicContact CG-CG1 3.86Å; Y46-V100 HydrophobicContact CG-CG2 4.26Å; V96-V100 VanDerWaalsContact O-CG2 3.3Å; V96-V100 WeakPolarHBondContact O-CG2 3.3Å; V96-V100 PolarHBondContact O-N 3.2Å; G97-V100 WeakPolarHBondContact O-CB 3.39Å; G97-V100 PolarHBondContact O-N 2.97Å; V98-V100 PolarHBondContact O-N 3.19Å; V100-F102 PolarHBondContact O-N 3.45Å; V100-H103 PolarHBondContact O-N 3.48Å; V100-Q104 HydrophobicContact CG1-CG 4.1Å; V100-Q104 WeakPolarHBondContact O-CB 3.34Å; V100-Q104 VanDerWaalsContact O-CG 3.32Å; V100-Q104 WeakPolarHBondContact O-CG 3.48Å; V100-Q104 PolarHBondContact O-N 3.38Å; V100-F130 HydrophobicContact CG2-CE1 4.35Å; V100-F130 HydrophobicContact CG2-CE2 3.54Å; V100-F130 HydrophobicContact CG2-CZ 3.23Å |
| 101 | M | 83.9 | Confident | 83.7 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.7 | -35.5 | 177.4 | -173.8 | 178.5 | -84.6 | 0 | 0 | 112.9 | S43 G97 V98 P99 | S43-M101 WeakPolarHBondContact OG-CA 3.43Å; S43-M101 WeakPolarHBondContact OG-CB 3.47Å; S43-M101 WeakPolarHBondContact OG-CE 3.18Å; S43-M101 WeakPolarHBondContact OG-CG 3.3Å; G97-M101 PolarHBondContact O-N 3.29Å; V98-M101 WeakPolarHBondContact O-CB 3.34Å; V98-M101 PolarHBondContact O-N 3.19Å; V98-M101 VanDerWaalsContact O-N 3.1Å; P99-M101 PolarHBondContact O-N 2.79Å |
| 102 | F | 84 | Confident | 83.3 | Confident | 151 Ų | 151 | 62 Ų | 62 | 66% | 0.662 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -75.6 | -39.2 | 178.5 | -77.8 | -72.1 | 0 | 0 | 0 | 112.6 | V98 P99 V100 | V98-F102 HydrophobicContact CG1-CD2 3.89Å; V98-F102 HydrophobicContact CG1-CE2 3.57Å; V98-F102 VanDerWaalsContact O-CD2 3.26Å; V98-F102 WeakPolarHBondContact O-CD2 3.12Å; V98-F102 PolarHBondContact O-N 3.43Å; P99-F102 PolarHBondContact O-N 3.18Å; V100-F102 PolarHBondContact O-N 3.45Å |
| 103 | H | 82.7 | Confident | 83.2 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 32% | 0.315 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -84.7 | -13.3 | -178 | -73.5 | -66.1 | 0 | 0 | 0 | 114.2 | P99 V100 L117 V118 | P99-H103 PolarHBondContact O-CD2 2.84Å; P99-H103 PolarHBondContact O-N 2.8Å; V100-H103 PolarHBondContact O-N 3.48Å; H103-L117 HydrophobicContact CB-CD2 4.38Å; H103-V118 CarbonylContact O-C 3.52Å; H103-V118 WeakPolarHBondContact O-CA 3.24Å; H103-V118 PolarHBondContact O-N 2.64Å |
| 104 | Q | 82.2 | Confident | 83.1 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 148.5 | 174.4 | -80.4 | 170 | -10.6 | 0 | 0 | 112.6 | K39 V42 V100 L117 | K39-Q104 WeakPolarHBondContact CE-O 3.49Å; K39-Q104 HydrophobicContact CG-CB 4.44Å; K39-Q104 WeakPolarHBondContact CG-O 3.41Å; V42-Q104 VanDerWaalsContact CB-OE1 3.28Å; V100-Q104 HydrophobicContact CG1-CG 4.1Å; V100-Q104 WeakPolarHBondContact O-CB 3.34Å; V100-Q104 VanDerWaalsContact O-CG 3.32Å; V100-Q104 WeakPolarHBondContact O-CG 3.48Å; V100-Q104 PolarHBondContact O-N 3.38Å; Q104-L117 HydrophobicContact CG-CD2 4.05Å; Q104-L117 HydrophobicContact CG-CG 4.01Å |
| 105 | G | 86 | Confident | 83 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.5 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N35 I116 | N35-G105 WeakPolarHBondContact OD1-CA 3.49Å; G105-I116 PolarHBondContact N-O 3.16Å; G105-I116 PolarHBondContact O-N 2.85Å |
| 106 | T | 86.8 | Confident | 82.8 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131 | 175.2 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | W31 N35 C38 T113 E114 | W31-T106 HydrophobicContact CG-CG2 4.47Å; N35-T106 HydrophobicContact CB-CG2 4.38Å; N35-T106 WeakPolarHBondContact CB-OG1 3.3Å; N35-T106 PolarHBondContact OD1-N 3.41Å; N35-T106 PolarHBondContact OD1-OG1 2.88Å; C38-T106 HydrophobicContact CB-CG2 3.86Å; T106-T113 HydrophobicContact CG2-CG2 3.78Å; T106-E114 CarbonylContact C-O 3.37Å; T106-E114 VanDerWaalsContact CA-O 3.24Å; T106-E114 WeakPolarHBondContact CA-O 3.31Å |
| 107 | K | 86.1 | Confident | 82.8 | Confident | 124 Ų | 124 | 63.2 Ų | 63.2 | 54% | 0.539 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.3 | 170.9 | -170.5 | 178 | 179 | -176.3 | 0 | 109.6 | T113 E114 I116 | K107-T113 CarbonylContact O-C 3.57Å; K107-T113 WeakPolarHBondContact O-CA 3.44Å; K107-E114 PolarHBondContact N-O 3.43Å; K107-E114 PolarHBondContact O-N 2.85Å; K107-I116 HydrophobicContact CB-CD1 3.91Å; K107-I116 HydrophobicContact CB-CG1 4.18Å; K107-I116 HydrophobicContact CD-CD1 3.83Å |
| 108 | H | 86.1 | Confident | 82.9 | Confident | 153 Ų | 153 | 66.2 Ų | 66.2 | 71% | 0.708 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.7 | 174.9 | -138.9 | 78.1 | 0 | 0 | 0 | 109.2 | T113 | H108-T113 PolarHBondContact CE1-OG1 2.99Å; H108-T113 PolarHBondContact ND1-OG1 3.39Å |
| 109 | G | 77.3 | Confident | 82.6 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 177.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | S111 G112 | G109-S111 PolarHBondContact O-N 3.48Å; G109-G112 PolarHBondContact N-O 3.45Å; G109-G112 PolarHBondContact O-N 3.13Å |
| 110 | N | 74 | Confident | 82.3 | Confident | 185 Ų | 185 | 67.9 Ų | 67.9 | 99% | 0.989 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.1 | 178.5 | -76.5 | 3.4 | 0 | 0 | 0 | 113.5 | ||
| 111 | S | 74.8 | Confident | 82.1 | Confident | 92 Ų | 92 | 76.3 Ų | 76.3 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 0.9 | -178.4 | 38.3 | 0 | 0 | 0 | 0 | 113.8 | G109 | G109-S111 PolarHBondContact O-N 3.48Š|
| 112 | G | 84.1 | Confident | 81.9 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 19% | 0.186 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.9 | -172.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G109 | G109-G112 PolarHBondContact N-O 3.45Å; G109-G112 PolarHBondContact O-N 3.13Å |
| 113 | T | 88.1 | Confident | 81.6 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 130.5 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 109.4 | F30 W31 T106 K107 H108 | F30-T113 CarbonylContact C-O 3.34Å; F30-T113 WeakPolarHBondContact CA-O 3.48Å; W31-T113 WeakPolarHBondContact CB-O 3.43Å; W31-T113 PolarHBondContact N-O 2.95Å; T106-T113 HydrophobicContact CG2-CG2 3.78Å; K107-T113 CarbonylContact O-C 3.57Å; K107-T113 WeakPolarHBondContact O-CA 3.44Å; H108-T113 PolarHBondContact CE1-OG1 2.99Å; H108-T113 PolarHBondContact ND1-OG1 3.39Å |
| 114 | E | 86.1 | Confident | 81.5 | Confident | 86 Ų | 86 | 76.2 Ų | 76.2 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.6 | 176.2 | -61.5 | 177.2 | 120.5 | 0 | 0 | 109.8 | T106 K107 I116 | T106-E114 CarbonylContact C-O 3.37Å; T106-E114 VanDerWaalsContact CA-O 3.24Å; T106-E114 WeakPolarHBondContact CA-O 3.31Å; K107-E114 PolarHBondContact N-O 3.43Å; K107-E114 PolarHBondContact O-N 2.85Å; E114-I116 HydrophobicContact CB-CG2 4.07Å |
| 115 | C | 87.6 | Confident | 81.6 | Confident | 28 Ų | 28 | 81.7 Ų | 81.7 | 19% | 0.189 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 105.5 | 171.9 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | W31 C38 | W31-C115 HydrophobicContact CB-CB 4.18Å; W31-C115 HydrophobicContact CD2-CB 3.88Å; W31-C115 HydrophobicContact CE3-CB 4.03Å; W31-C115 HydrophobicContact CG-CB 3.93Å; C38-C115 VanDerWaalsContact CA-SG 3.53Å; C38-C115 HydrophobicContact CB-CB 3.88Å; C38-C115 WeakPolarHBondContact CB-SG 3.36Å; C38-C115 VanDerWaalsContact SG-CA 3.54Å; C38-C115 WeakPolarHBondContact SG-CB 3.23Å; C38-C115 CovalentContact SG-SG 2.03Å; C38-C115 PolarHBondContact SG-SG 3.31Å |
| 116 | I | 83.3 | Confident | 81.5 | Confident | 63 Ų | 63 | 88 Ų | 88 | 32% | 0.323 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 164.6 | -172.9 | 61.7 | 172 | 0 | 0 | 0 | 112.2 | G105 K107 E114 V118 | G105-I116 PolarHBondContact N-O 3.16Å; G105-I116 PolarHBondContact O-N 2.85Å; K107-I116 HydrophobicContact CB-CD1 3.91Å; K107-I116 HydrophobicContact CB-CG1 4.18Å; K107-I116 HydrophobicContact CD-CD1 3.83Å; E114-I116 HydrophobicContact CB-CG2 4.07Å; I116-V118 HydrophobicContact CG1-CG2 4.12Å |
| 117 | L | 80.5 | Confident | 81.3 | Confident | 57 Ų | 57 | 89 Ų | 89 | 30% | 0.298 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126.2 | 164.5 | -86.3 | 141.5 | 0 | 0 | 0 | 109.5 | H103 Q104 F119 F130 | H103-L117 HydrophobicContact CB-CD2 4.38Å; Q104-L117 HydrophobicContact CG-CD2 4.05Å; Q104-L117 HydrophobicContact CG-CG 4.01Å; L117-F119 HydrophobicContact CB-CE2 3.96Å; L117-F119 HydrophobicContact CB-CZ 4.38Å; L117-F119 HydrophobicContact CD2-CE1 4.42Å; L117-F119 HydrophobicContact CD2-CE2 4.3Å; L117-F119 HydrophobicContact CD2-CZ 3.87Å; L117-F130 HydrophobicContact CD1-CE1 4.36Å; L117-F130 HydrophobicContact CD2-CE1 4.35Å |
| 118 | V | 81.1 | Confident | 81.4 | Confident | 62 Ų | 62 | 84.6 Ų | 84.6 | 38% | 0.376 | 44% | 0.442 | S | S | . | . | trans | -115.3 | 96 | 178.1 | -174.5 | 0 | 0 | 0 | 0 | 108 | H103 I116 | H103-V118 CarbonylContact O-C 3.52Å; H103-V118 WeakPolarHBondContact O-CA 3.24Å; H103-V118 PolarHBondContact O-N 2.64Å; I116-V118 HydrophobicContact CG1-CG2 4.12Å | ||
| 119 | F | 78.8 | Confident | 81.4 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -80 | 135.9 | 171.6 | -64.6 | -74.5 | 0 | 0 | 0 | 110.2 | L117 K123 W126 E127 F130 | L117-F119 HydrophobicContact CB-CE2 3.96Å; L117-F119 HydrophobicContact CB-CZ 4.38Å; L117-F119 HydrophobicContact CD2-CE1 4.42Å; L117-F119 HydrophobicContact CD2-CE2 4.3Å; L117-F119 HydrophobicContact CD2-CZ 3.87Å; F119-K123 HydrophobicContact CB-CB 4.28Å; F119-W126 HydrophobicContact CB-CB 4.3Å; F119-W126 HydrophobicContact CD1-CB 3.9Å; F119-W126 HydrophobicContact CG-CB 4.23Å; F119-E127 HydrophobicContact CD2-CB 3.85Å; F119-E127 HydrophobicContact CD2-CG 4.12Å; F119-E127 HydrophobicContact CE2-CB 3.92Å; F119-E127 HydrophobicContact CE2-CG 3.86Å; F119-F130 HydrophobicContact CE1-CB 3.86Å; F119-F130 HydrophobicContact CE1-CD1 4.3Å; F119-F130 AromaticContact CE1-CG 3.96Å; F119-F130 HydrophobicContact CE1-CG 3.96Å; F119-F130 HydrophobicContact CZ-CB 3.77Å; F119-F130 AromaticContact CZ-CD1 3.66Å; F119-F130 HydrophobicContact CZ-CD1 3.66Å; F119-F130 AromaticContact CZ-CG 3.76Å; F119-F130 HydrophobicContact CZ-CG 3.76Å |
| 120 | N | 77.1 | Confident | 81.9 | Confident | 115 Ų | 115 | 82 Ų | 82 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 156.4 | 168.8 | -71.7 | -15.6 | 0 | 0 | 0 | 109.7 | P122 K123 | N120-P122 CarbonylContact O-C 3.55Å; N120-K123 PolarHBondContact O-N 2.8Å |
| 121 | E | 73.6 | Confident | 82.5 | Confident | 178 Ų | 178 | 73.4 Ų | 73.4 | 83% | 0.832 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -60.7 | 138 | 174.9 | -65.8 | -162 | 165.6 | 0 | 0 | 111.3 | ||
| 122 | P | 80 | Confident | 83.2 | Confident | 60 Ų | 60 | 71.4 Ų | 71.4 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | S | Bend | cis | -86.5 | 106.9 | 2.3 | 31.9 | -33.2 | 0 | 0 | 0 | 113.7 | N120 D124 Q125 W126 | N120-P122 CarbonylContact O-C 3.55Å; P122-D124 VanDerWaalsContact C-N 3.28Å; P122-D124 PolarHBondContact O-N 3.26Å; P122-Q125 HydrophobicContact CB-CG 4.34Å; P122-Q125 HydrophobicContact CG-CB 4.26Å; P122-Q125 HydrophobicContact CG-CG 4.27Å; P122-Q125 PolarHBondContact O-N 3.46Å; P122-Q125 VanDerWaalsContact O-N 3.16Å; P122-W126 PolarHBondContact O-N 2.88Å |
| 123 | K | 77.8 | Confident | 83.4 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 47% | 0.47 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.3 | -38.2 | -177.9 | 66.1 | -174.6 | -180 | -179.1 | 0 | 113.4 | F119 N120 Q125 W126 E127 | F119-K123 HydrophobicContact CB-CB 4.28Å; N120-K123 PolarHBondContact O-N 2.8Å; K123-Q125 PolarHBondContact O-N 2.93Å; K123-Q125 VanDerWaalsContact O-N 3.11Å; K123-W126 PolarHBondContact O-N 2.96Å; K123-E127 WeakPolarHBondContact O-CB 3.36Å; K123-E127 PolarHBondContact O-N 3.19Å |
| 124 | D | 80.5 | Confident | 83.5 | Confident | 125 Ų | 125 | 72 Ų | 72 | 67% | 0.668 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.2 | -14.4 | -175.1 | -54.4 | -40.6 | 0 | 0 | 0 | 112.3 | P122 P128 | P122-D124 VanDerWaalsContact C-N 3.28Å; P122-D124 PolarHBondContact O-N 3.26Å; D124-P128 WeakPolarHBondContact O-CD 3.45Å; D124-P128 VanDerWaalsContact O-CG 3.28Å; D124-P128 WeakPolarHBondContact O-CG 3.44Å |
| 125 | Q | 83.1 | Confident | 83.7 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -96.8 | -45 | 173.2 | -63.3 | -177.4 | -19.5 | 0 | 0 | 111.5 | P122 K123 P128 I129 | P122-Q125 HydrophobicContact CB-CG 4.34Å; P122-Q125 HydrophobicContact CG-CB 4.26Å; P122-Q125 HydrophobicContact CG-CG 4.27Å; P122-Q125 PolarHBondContact O-N 3.46Å; P122-Q125 VanDerWaalsContact O-N 3.16Å; K123-Q125 PolarHBondContact O-N 2.93Å; K123-Q125 VanDerWaalsContact O-N 3.11Å; Q125-P128 WeakPolarHBondContact O-CD 3.44Å; Q125-P128 WeakPolarHBondContact O-CG 3.29Å; Q125-I129 VanDerWaalsContact O-CD1 3.22Å; Q125-I129 WeakPolarHBondContact O-CD1 2.9Å; Q125-I129 WeakPolarHBondContact O-CG1 2.98Å; Q125-I129 PolarHBondContact O-N 3.45Å |
| 126 | W | 84 | Confident | 83.9 | Confident | 138 Ų | 138 | 71.1 Ų | 71.1 | 52% | 0.523 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.1 | -37 | -174.2 | -70.8 | 112.1 | 0 | 0 | 0 | 113.7 | F119 P122 K123 I129 F130 | F119-W126 HydrophobicContact CB-CB 4.3Å; F119-W126 HydrophobicContact CD1-CB 3.9Å; F119-W126 HydrophobicContact CG-CB 4.23Å; P122-W126 PolarHBondContact O-N 2.88Å; K123-W126 PolarHBondContact O-N 2.96Å; W126-I129 PolarHBondContact O-N 2.81Å; W126-F130 VanDerWaalsContact O-CB 3.23Å; W126-F130 WeakPolarHBondContact O-CB 3.38Å; W126-F130 PolarHBondContact O-N 3.22Å |
| 127 | E | 83.4 | Confident | 84.1 | Confident | 68 Ų | 68 | 73 Ų | 73 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -51.7 | -179.2 | -170.8 | 170.3 | -175.1 | 0 | 0 | 113.1 | F119 K123 I129 F130 G131 | F119-E127 HydrophobicContact CD2-CB 3.85Å; F119-E127 HydrophobicContact CD2-CG 4.12Å; F119-E127 HydrophobicContact CE2-CB 3.92Å; F119-E127 HydrophobicContact CE2-CG 3.86Å; K123-E127 WeakPolarHBondContact O-CB 3.36Å; K123-E127 PolarHBondContact O-N 3.19Å; E127-I129 PolarHBondContact O-N 2.92Å; E127-F130 PolarHBondContact O-N 3.11Å; E127-G131 PolarHBondContact O-N 3Å |
| 128 | P | 87.2 | Confident | 84.5 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 21% | 0.208 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 176.4 | 21.2 | -31.2 | 0 | 0 | 0 | 113.1 | D124 Q125 T132 S202 L203 | D124-P128 WeakPolarHBondContact O-CD 3.45Å; D124-P128 VanDerWaalsContact O-CG 3.28Å; D124-P128 WeakPolarHBondContact O-CG 3.44Å; Q125-P128 WeakPolarHBondContact O-CD 3.44Å; Q125-P128 WeakPolarHBondContact O-CG 3.29Å; P128-T132 WeakPolarHBondContact O-CB 3.28Å; P128-T132 PolarHBondContact O-N 2.9Å; P128-T132 PolarHBondContact O-OG1 3.48Å; P128-S202 VanDerWaalsContact CA-O 3.31Å; P128-S202 WeakPolarHBondContact CA-O 3.27Å; P128-S202 VanDerWaalsContact CB-O 3.26Å; P128-S202 WeakPolarHBondContact CB-O 3.48Å; P128-L203 HydrophobicContact CB-CD2 4.34Å |
| 129 | I | 88 | Confident | 84.9 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 46% | 0.456 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -50.6 | 177 | -68.9 | 169.9 | 0 | 0 | 0 | 109.4 | Q125 W126 E127 T132 C133 | Q125-I129 VanDerWaalsContact O-CD1 3.22Å; Q125-I129 WeakPolarHBondContact O-CD1 2.9Å; Q125-I129 WeakPolarHBondContact O-CG1 2.98Å; Q125-I129 PolarHBondContact O-N 3.45Å; W126-I129 PolarHBondContact O-N 2.81Å; E127-I129 PolarHBondContact O-N 2.92Å; I129-T132 PolarHBondContact O-N 3.41Å; I129-C133 WeakPolarHBondContact O-CB 3.36Å; I129-C133 PolarHBondContact O-N 2.81Å; I129-C133 PolarHBondContact O-SG 3.27Å |
| 130 | F | 86.8 | Confident | 85.4 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -49 | -180 | 179.8 | -95 | 0 | 0 | 0 | 111.5 | Y46 V96 V100 L117 F119 W126 E127 T132 C133 V134 | Y46-F130 HydrophobicContact CE1-CE1 4.04Å; Y46-F130 AromaticContact CE1-CZ 3.8Å; Y46-F130 HydrophobicContact CE1-CZ 3.8Å; V96-F130 HydrophobicContact CG1-CE2 4.42Å; V100-F130 HydrophobicContact CG2-CE1 4.35Å; V100-F130 HydrophobicContact CG2-CE2 3.54Å; V100-F130 HydrophobicContact CG2-CZ 3.23Å; L117-F130 HydrophobicContact CD1-CE1 4.36Å; L117-F130 HydrophobicContact CD2-CE1 4.35Å; F119-F130 HydrophobicContact CE1-CB 3.86Å; F119-F130 HydrophobicContact CE1-CD1 4.3Å; F119-F130 AromaticContact CE1-CG 3.96Å; F119-F130 HydrophobicContact CE1-CG 3.96Å; F119-F130 HydrophobicContact CZ-CB 3.77Å; F119-F130 AromaticContact CZ-CD1 3.66Å; F119-F130 HydrophobicContact CZ-CD1 3.66Å; F119-F130 AromaticContact CZ-CG 3.76Å; F119-F130 HydrophobicContact CZ-CG 3.76Å; W126-F130 VanDerWaalsContact O-CB 3.23Å; W126-F130 WeakPolarHBondContact O-CB 3.38Å; W126-F130 PolarHBondContact O-N 3.22Å; E127-F130 PolarHBondContact O-N 3.11Å; F130-T132 VanDerWaalsContact C-N 3.33Å; F130-T132 PolarHBondContact O-N 2.9Å; F130-C133 PolarHBondContact O-N 2.84Å; F130-V134 HydrophobicContact CD1-CG2 4.15Å; F130-V134 HydrophobicContact CE1-CG2 3.59Å; F130-V134 HydrophobicContact CE2-CG2 4Å; F130-V134 HydrophobicContact CZ-CG2 3.45Å; F130-V134 VanDerWaalsContact CZ-CG2 3.45Å; F130-V134 WeakPolarHBondContact O-CG2 3.44Å; F130-V134 PolarHBondContact O-N 3.39Å |
| 131 | G | 87.2 | Confident | 86.1 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59 | -41.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E127 V134 F135 | E127-G131 PolarHBondContact O-N 3Å; G131-V134 PolarHBondContact O-N 2.86Å; G131-F135 WeakPolarHBondContact O-CB 3.4Å; G131-F135 PolarHBondContact O-N 2.72Å |
| 132 | T | 89.3 | Confident | 86.9 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 31% | 0.307 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | P128 I129 F130 V134 F135 L136 | P128-T132 WeakPolarHBondContact O-CB 3.28Å; P128-T132 PolarHBondContact O-N 2.9Å; P128-T132 PolarHBondContact O-OG1 3.48Å; I129-T132 PolarHBondContact O-N 3.41Å; F130-T132 VanDerWaalsContact C-N 3.33Å; F130-T132 PolarHBondContact O-N 2.9Å; T132-V134 PolarHBondContact O-N 2.71Å; T132-F135 PolarHBondContact O-N 2.96Å; T132-L136 HydrophobicContact CG2-CD1 4.03Å; T132-L136 HydrophobicContact CG2-CG 4.34Å; T132-L136 VanDerWaalsContact O-CG 3.29Å; T132-L136 WeakPolarHBondContact O-CG 3.31Å; T132-L136 PolarHBondContact O-N 3.42Å |
| 133 | C | 88.9 | Confident | 87.3 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 37% | 0.365 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 176.6 | -74.2 | 0 | 0 | 0 | 0 | 111.4 | I129 F130 L136 F137 | I129-C133 WeakPolarHBondContact O-CB 3.36Å; I129-C133 PolarHBondContact O-N 2.81Å; I129-C133 PolarHBondContact O-SG 3.27Å; F130-C133 PolarHBondContact O-N 2.84Å; C133-L136 PolarHBondContact O-N 2.86Å; C133-F137 HydrophobicContact CB-CD2 4.34Å; C133-F137 WeakPolarHBondContact O-CB 3.42Å; C133-F137 WeakPolarHBondContact O-CD2 3.28Å; C133-F137 PolarHBondContact O-N 3.48Å |
| 134 | V | 88.9 | Confident | 88 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -53.1 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 109.8 | Y46 M49 F50 F130 G131 T132 L136 F137 S138 | Y46-V134 HydrophobicContact CE1-CG1 4.48Å; Y46-V134 HydrophobicContact CE1-CG2 4.12Å; M49-V134 HydrophobicContact CE-CG1 3.62Å; M49-V134 HydrophobicContact SD-CG1 4.46Å; F50-V134 HydrophobicContact CZ-CG2 4.46Å; F130-V134 HydrophobicContact CD1-CG2 4.15Å; F130-V134 HydrophobicContact CE1-CG2 3.59Å; F130-V134 HydrophobicContact CE2-CG2 4Å; F130-V134 HydrophobicContact CZ-CG2 3.45Å; F130-V134 VanDerWaalsContact CZ-CG2 3.45Å; F130-V134 WeakPolarHBondContact O-CG2 3.44Å; F130-V134 PolarHBondContact O-N 3.39Å; G131-V134 PolarHBondContact O-N 2.86Å; T132-V134 PolarHBondContact O-N 2.71Å; V134-L136 VanDerWaalsContact C-N 3.31Å; V134-L136 PolarHBondContact O-N 3.49Å; V134-F137 PolarHBondContact O-N 3.49Å; V134-S138 WeakPolarHBondContact O-CB 3.31Å; V134-S138 PolarHBondContact O-N 2.92Å; V134-S138 PolarHBondContact O-OG 3.49Å |
| 135 | F | 90.4 | Very high | 88.5 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.8 | -44.3 | 178.1 | 179.3 | -95.3 | 0 | 0 | 0 | 113.3 | G131 T132 F139 L140 H195 L199 | G131-F135 WeakPolarHBondContact O-CB 3.4Å; G131-F135 PolarHBondContact O-N 2.72Å; T132-F135 PolarHBondContact O-N 2.96Å; F135-F139 HydrophobicContact CD2-CD1 4.37Å; F135-F139 AromaticContact CE2-CD1 3.75Å; F135-F139 HydrophobicContact CE2-CD1 3.75Å; F135-F139 HydrophobicContact CE2-CE1 4.27Å; F135-F139 AromaticContact CZ-CD1 3.97Å; F135-F139 HydrophobicContact CZ-CD1 3.97Å; F135-F139 HydrophobicContact CZ-CE1 4.37Å; F135-F139 VanDerWaalsContact O-CB 3.31Å; F135-F139 WeakPolarHBondContact O-CB 3.4Å; F135-F139 PolarHBondContact O-N 3.38Å; F135-L140 HydrophobicContact CE1-CB 4.14Å; F135-L140 HydrophobicContact CE1-CD2 4.37Å; F135-L140 PolarHBondContact O-N 2.94Å; F135-H195 HydrophobicContact CD2-CB 3.92Å; F135-H195 HydrophobicContact CE2-CB 4.21Å; F135-L199 HydrophobicContact CB-CD1 4.44Å; F135-L199 HydrophobicContact CD1-CD2 4.22Å; F135-L199 HydrophobicContact CD2-CB 4.46Å; F135-L199 HydrophobicContact CD2-CD2 4.05Å; F135-L199 HydrophobicContact CE1-CD2 4.42Å; F135-L199 HydrophobicContact CE2-CD2 4.27Å; F135-L199 HydrophobicContact CG-CD2 4.04Å; F135-L199 HydrophobicContact CZ-CD2 4.45Å |
| 136 | L | 91.1 | Very high | 88.7 | Confident | 59 Ų | 59 | 47 Ų | 47 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -67.9 | -50.2 | -179.1 | -70 | 175.3 | 0 | 0 | 0 | 112.1 | T132 C133 V134 L140 I141 | T132-L136 HydrophobicContact CG2-CD1 4.03Å; T132-L136 HydrophobicContact CG2-CG 4.34Å; T132-L136 VanDerWaalsContact O-CG 3.29Å; T132-L136 WeakPolarHBondContact O-CG 3.31Å; T132-L136 PolarHBondContact O-N 3.42Å; C133-L136 PolarHBondContact O-N 2.86Å; V134-L136 VanDerWaalsContact C-N 3.31Å; V134-L136 PolarHBondContact O-N 3.49Å; L136-L140 HydrophobicContact CD2-CB 4.32Å; L136-L140 HydrophobicContact CD2-CD2 3.58Å; L136-L140 PolarHBondContact O-N 2.91Å; L136-I141 HydrophobicContact CB-CD1 4.45Å; L136-I141 WeakPolarHBondContact O-CB 3.21Å; L136-I141 WeakPolarHBondContact O-CG1 3.12Å; L136-I141 PolarHBondContact O-N 2.95Å |
| 137 | F | 89.3 | Confident | 88.8 | Confident | 102 Ų | 102 | 42.5 Ų | 42.5 | 45% | 0.447 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -83.2 | -31.8 | -171.1 | -70.1 | -66.1 | 0 | 0 | 0 | 113.7 | F50 F54 C133 V134 I141 P142 | F50-F137 HydrophobicContact CE1-CB 3.99Å; F54-F137 WeakPolarHBondContact CE1-O 3.21Å; C133-F137 HydrophobicContact CB-CD2 4.34Å; C133-F137 WeakPolarHBondContact O-CB 3.42Å; C133-F137 WeakPolarHBondContact O-CD2 3.28Å; C133-F137 PolarHBondContact O-N 3.48Å; V134-F137 PolarHBondContact O-N 3.49Å; F137-I141 HydrophobicContact CD1-CD1 3.91Å; F137-I141 HydrophobicContact CE1-CD1 3.96Å; F137-P142 VanDerWaalsContact O-CD 3.29Å; F137-P142 WeakPolarHBondContact O-CD 3.35Å; F137-P142 WeakPolarHBondContact O-CG 3.44Å |
| 138 | S | 88 | Confident | 89.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -93.4 | -12 | 178.9 | 77.4 | 0 | 0 | 0 | 0 | 113.5 | T53 V134 H195 | T53-S138 WeakPolarHBondContact CG2-O 3.47Å; V134-S138 WeakPolarHBondContact O-CB 3.31Å; V134-S138 PolarHBondContact O-N 2.92Å; V134-S138 PolarHBondContact O-OG 3.49Å; S138-H195 PolarHBondContact OG-CE1 2.99Å; S138-H195 PolarHBondContact OG-NE2 3.23Å |
| 139 | F | 88.8 | Confident | 89.2 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -132.7 | -68.3 | -177.2 | -176.6 | -103.2 | 0 | 0 | 0 | 113 | F135 I141 P142 M143 F187 W191 T192 H195 | F135-F139 HydrophobicContact CD2-CD1 4.37Å; F135-F139 AromaticContact CE2-CD1 3.75Å; F135-F139 HydrophobicContact CE2-CD1 3.75Å; F135-F139 HydrophobicContact CE2-CE1 4.27Å; F135-F139 AromaticContact CZ-CD1 3.97Å; F135-F139 HydrophobicContact CZ-CD1 3.97Å; F135-F139 HydrophobicContact CZ-CE1 4.37Å; F135-F139 VanDerWaalsContact O-CB 3.31Å; F135-F139 WeakPolarHBondContact O-CB 3.4Å; F135-F139 PolarHBondContact O-N 3.38Å; F139-I141 PolarHBondContact O-N 3.35Å; F139-P142 WeakPolarHBondContact O-CD 3.45Å; F139-M143 HydrophobicContact CD2-CG 4.19Å; F139-M143 HydrophobicContact CE2-CG 4.04Å; F139-M143 HydrophobicContact CZ-CG 4.38Å; F139-M143 WeakPolarHBondContact O-CB 3.27Å; F139-M143 VanDerWaalsContact O-CG 3.24Å; F139-M143 WeakPolarHBondContact O-CG 3.26Å; F139-M143 PolarHBondContact O-N 3.45Å; F139-F187 HydrophobicContact CD2-CD1 4.41Å; F139-F187 AromaticContact CD2-CE1 3.72Å; F139-F187 HydrophobicContact CD2-CE1 3.72Å; F139-F187 HydrophobicContact CE2-CD1 4.3Å; F139-F187 HydrophobicContact CE2-CE1 4.05Å; F139-W191 HydrophobicContact CD2-CB 4.18Å; F139-W191 HydrophobicContact CE2-CB 4.35Å; F139-T192 WeakPolarHBondContact CE2-OG1 3.31Å; F139-T192 HydrophobicContact CZ-CG2 4.03Å; F139-T192 WeakPolarHBondContact CZ-OG1 3.43Å; F139-H195 AromaticContact CD2-CD2 3.65Å; F139-H195 HydrophobicContact CG-CB 4.47Å; F139-H195 AromaticContact CG-CD2 3.73Å |
| 140 | L | 90.8 | Very high | 89 | Confident | 85 Ų | 85 | 39.6 Ų | 39.6 | 45% | 0.445 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -63.5 | -51.2 | -166.7 | -172.2 | 67.3 | 0 | 0 | 0 | 113.3 | F135 L136 M143 A144 | F135-L140 HydrophobicContact CE1-CB 4.14Å; F135-L140 HydrophobicContact CE1-CD2 4.37Å; F135-L140 PolarHBondContact O-N 2.94Å; L136-L140 HydrophobicContact CD2-CB 4.32Å; L136-L140 HydrophobicContact CD2-CD2 3.58Å; L136-L140 PolarHBondContact O-N 2.91Å; L140-M143 PolarHBondContact O-N 3.3Å; L140-A144 WeakPolarHBondContact O-CB 3.34Å; L140-A144 PolarHBondContact O-N 2.96Å |
| 141 | I | 91.6 | Very high | 88.9 | Confident | 72 Ų | 72 | 41 Ų | 41 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.2 | -51.8 | -178.4 | -66.4 | 167.6 | 0 | 0 | 0 | 110.9 | L136 F137 F139 M143 A144 I145 | L136-I141 HydrophobicContact CB-CD1 4.45Å; L136-I141 WeakPolarHBondContact O-CB 3.21Å; L136-I141 WeakPolarHBondContact O-CG1 3.12Å; L136-I141 PolarHBondContact O-N 2.95Å; F137-I141 HydrophobicContact CD1-CD1 3.91Å; F137-I141 HydrophobicContact CE1-CD1 3.96Å; F139-I141 PolarHBondContact O-N 3.35Å; I141-M143 VanDerWaalsContact C-N 3.32Å; I141-M143 PolarHBondContact O-N 3.3Å; I141-A144 PolarHBondContact O-N 2.98Å; I141-I145 HydrophobicContact CG2-CD1 3.86Å; I141-I145 WeakPolarHBondContact O-CG1 3.05Å; I141-I145 PolarHBondContact O-N 2.92Å |
| 142 | P | 90.3 | Very high | 89 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.5 | -45.7 | 174.7 | -29.4 | 37 | 0 | 0 | 0 | 113.4 | T53 F54 T57 F137 F139 A144 I145 I146 | T53-P142 HydrophobicContact CG2-CB 3.2Å; T53-P142 HydrophobicContact CG2-CG 3.37Å; F54-P142 HydrophobicContact CD1-CG 4.48Å; F54-P142 HydrophobicContact CE1-CG 4.36Å; T57-P142 WeakPolarHBondContact OG1-CB 3.37Å; F137-P142 VanDerWaalsContact O-CD 3.29Å; F137-P142 WeakPolarHBondContact O-CD 3.35Å; F137-P142 WeakPolarHBondContact O-CG 3.44Å; F139-P142 WeakPolarHBondContact O-CD 3.45Å; P142-A144 VanDerWaalsContact C-N 3.35Å; P142-A144 PolarHBondContact O-N 3.29Å; P142-I145 PolarHBondContact O-N 3.48Å; P142-I146 WeakPolarHBondContact O-CB 3.36Å; P142-I146 VanDerWaalsContact O-CG1 3.23Å; P142-I146 WeakPolarHBondContact O-CG1 3.29Å; P142-I146 PolarHBondContact O-N 3.05Å |
| 143 | M | 88.5 | Confident | 88.6 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 179.3 | -83.1 | -62 | -59.2 | 0 | 0 | 112.8 | F139 L140 I141 S147 V184 F187 V188 | F139-M143 HydrophobicContact CD2-CG 4.19Å; F139-M143 HydrophobicContact CE2-CG 4.04Å; F139-M143 HydrophobicContact CZ-CG 4.38Å; F139-M143 WeakPolarHBondContact O-CB 3.27Å; F139-M143 VanDerWaalsContact O-CG 3.24Å; F139-M143 WeakPolarHBondContact O-CG 3.26Å; F139-M143 PolarHBondContact O-N 3.45Å; L140-M143 PolarHBondContact O-N 3.3Å; I141-M143 VanDerWaalsContact C-N 3.32Å; I141-M143 PolarHBondContact O-N 3.3Å; M143-S147 WeakPolarHBondContact O-CB 3.27Å; M143-S147 PolarHBondContact O-N 3.26Å; M143-S147 PolarHBondContact O-OG 3.19Å; M143-V184 HydrophobicContact CE-CG1 4.08Å; M143-F187 HydrophobicContact CG-CD1 3.79Å; M143-F187 HydrophobicContact CG-CE1 3.64Å; M143-F187 HydrophobicContact SD-CB 4.37Å; M143-F187 HydrophobicContact SD-CD1 3.21Å; M143-F187 WeakPolarHBondContact SD-CD1 3.36Å; M143-F187 HydrophobicContact SD-CE1 3.69Å; M143-F187 HydrophobicContact SD-CG 4.03Å; M143-V188 HydrophobicContact CE-CG2 3.28Å; M143-V188 HydrophobicContact SD-CG2 4.24Å |
| 144 | A | 91.2 | Very high | 88.2 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | L140 I141 P142 S147 I148 | L140-A144 WeakPolarHBondContact O-CB 3.34Å; L140-A144 PolarHBondContact O-N 2.96Å; I141-A144 PolarHBondContact O-N 2.98Å; P142-A144 VanDerWaalsContact C-N 3.35Å; P142-A144 PolarHBondContact O-N 3.29Å; A144-S147 PolarHBondContact O-N 2.91Å; A144-I148 WeakPolarHBondContact O-CB 3.21Å; A144-I148 WeakPolarHBondContact O-CD1 3.42Å; A144-I148 WeakPolarHBondContact O-CG1 3.35Å; A144-I148 PolarHBondContact O-N 3.45Å |
| 145 | I | 91.7 | Very high | 88 | Confident | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 179.3 | -64.5 | 167.7 | 0 | 0 | 0 | 110.7 | T57 M61 I141 P142 S147 I148 C149 | T57-I145 HydrophobicContact CG2-CB 3.89Å; T57-I145 HydrophobicContact CG2-CD1 4.2Å; T57-I145 HydrophobicContact CG2-CG2 3.51Å; M61-I145 HydrophobicContact CG-CG2 4.15Å; M61-I145 HydrophobicContact SD-CG2 4.13Å; I141-I145 HydrophobicContact CG2-CD1 3.86Å; I141-I145 WeakPolarHBondContact O-CG1 3.05Å; I141-I145 PolarHBondContact O-N 2.92Å; P142-I145 PolarHBondContact O-N 3.48Å; I145-S147 VanDerWaalsContact C-N 3.33Å; I145-S147 PolarHBondContact O-N 3.05Å; I145-I148 PolarHBondContact O-N 3.5Å; I145-C149 VanDerWaalsContact O-CB 3.3Å; I145-C149 WeakPolarHBondContact O-CB 3.45Å; I145-C149 PolarHBondContact O-N 3.46Å; I145-C149 PolarHBondContact O-SG 3.03Å |
| 146 | I | 87.9 | Confident | 87.6 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 178 | -70.7 | 170.1 | 0 | 0 | 0 | 110 | L56 T57 P142 I148 C149 Y150 V184 | L56-I146 HydrophobicContact CB-CD1 4.33Å; T57-I146 HydrophobicContact CG2-CG1 4.48Å; P142-I146 WeakPolarHBondContact O-CB 3.36Å; P142-I146 VanDerWaalsContact O-CG1 3.23Å; P142-I146 WeakPolarHBondContact O-CG1 3.29Å; P142-I146 PolarHBondContact O-N 3.05Å; I146-I148 PolarHBondContact O-N 3.03Å; I146-C149 PolarHBondContact O-N 3.38Å; I146-Y150 HydrophobicContact CG2-CD2 3.58Å; I146-Y150 HydrophobicContact CG2-CE2 3.67Å; I146-Y150 WeakPolarHBondContact O-CB 3.4Å; I146-Y150 VanDerWaalsContact O-CD2 3.26Å; I146-Y150 WeakPolarHBondContact O-CD2 3.44Å; I146-Y150 PolarHBondContact O-N 3.23Å; I146-V184 HydrophobicContact CG2-CG2 3.99Å |
| 147 | S | 86.6 | Confident | 86.9 | Confident | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | -179 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | M143 A144 I145 S151 | M143-S147 WeakPolarHBondContact O-CB 3.27Å; M143-S147 PolarHBondContact O-N 3.26Å; M143-S147 PolarHBondContact O-OG 3.19Å; A144-S147 PolarHBondContact O-N 2.91Å; I145-S147 VanDerWaalsContact C-N 3.33Å; I145-S147 PolarHBondContact O-N 3.05Å; S147-S151 WeakPolarHBondContact O-CB 3.46Å; S147-S151 PolarHBondContact O-N 2.9Å; S147-S151 PolarHBondContact O-OG 3.28Å |
| 148 | I | 90.4 | Very high | 86.3 | Confident | 100 Ų | 100 | 54.3 Ų | 54.3 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.8 | -51 | 177.2 | -69.6 | 165.4 | 0 | 0 | 0 | 110.4 | A144 I145 I146 Y150 S151 L152 | A144-I148 WeakPolarHBondContact O-CB 3.21Å; A144-I148 WeakPolarHBondContact O-CD1 3.42Å; A144-I148 WeakPolarHBondContact O-CG1 3.35Å; A144-I148 PolarHBondContact O-N 3.45Å; I145-I148 PolarHBondContact O-N 3.5Å; I146-I148 PolarHBondContact O-N 3.03Å; I148-Y150 VanDerWaalsContact C-N 3.31Å; I148-Y150 PolarHBondContact O-N 3.46Å; I148-S151 PolarHBondContact O-N 3.28Å; I148-L152 HydrophobicContact CG2-CD1 3.8Å; I148-L152 HydrophobicContact CG2-CG 4.28Å; I148-L152 WeakPolarHBondContact O-CB 3.48Å; I148-L152 VanDerWaalsContact O-CG 3.28Å; I148-L152 WeakPolarHBondContact O-CG 3.43Å; I148-L152 PolarHBondContact O-N 3.47Å |
| 149 | C | 88.4 | Confident | 85.9 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 10% | 0.095 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.3 | -48 | -179.1 | -72.4 | 0 | 0 | 0 | 0 | 111.2 | Y64 I145 I146 M153 | Y64-C149 WeakPolarHBondContact CD2-O 3.08Å; Y64-C149 HydrophobicContact CG-CB 4.49Å; I145-C149 VanDerWaalsContact O-CB 3.3Å; I145-C149 WeakPolarHBondContact O-CB 3.45Å; I145-C149 PolarHBondContact O-N 3.46Å; I145-C149 PolarHBondContact O-SG 3.03Å; I146-C149 PolarHBondContact O-N 3.38Å; C149-M153 WeakPolarHBondContact O-CB 3.36Å; C149-M153 PolarHBondContact O-N 2.61Å |
| 150 | Y | 83.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.6 | -37.6 | -179.9 | -77.1 | -51 | 0 | 0 | 0 | 113.4 | S60 I146 I148 L152 M153 V154 V180 V184 | S60-Y150 WeakPolarHBondContact OG-CE2 3.19Å; S60-Y150 PolarHBondContact OG-OH 3.39Å; I146-Y150 HydrophobicContact CG2-CD2 3.58Å; I146-Y150 HydrophobicContact CG2-CE2 3.67Å; I146-Y150 WeakPolarHBondContact O-CB 3.4Å; I146-Y150 VanDerWaalsContact O-CD2 3.26Å; I146-Y150 WeakPolarHBondContact O-CD2 3.44Å; I146-Y150 PolarHBondContact O-N 3.23Å; I148-Y150 VanDerWaalsContact C-N 3.31Å; I148-Y150 PolarHBondContact O-N 3.46Å; Y150-L152 VanDerWaalsContact C-N 3.34Å; Y150-L152 PolarHBondContact O-N 2.87Å; Y150-M153 HydrophobicContact CD1-CE 3.54Å; Y150-M153 HydrophobicContact CD1-SD 4.24Å; Y150-M153 HydrophobicContact CE1-CE 3.98Å; Y150-M153 HydrophobicContact CE1-SD 4.5Å; Y150-M153 WeakPolarHBondContact O-CB 3.12Å; Y150-M153 PolarHBondContact O-N 2.9Å; Y150-V154 WeakPolarHBondContact O-CG2 3.4Å; Y150-V154 PolarHBondContact O-N 3.23Å; Y150-V180 VanDerWaalsContact CB-CG1 3.49Å; Y150-V180 HydrophobicContact CD1-CB 4.22Å; Y150-V180 HydrophobicContact CD1-CG1 4.06Å; Y150-V180 HydrophobicContact CD1-CG2 3.17Å; Y150-V180 HydrophobicContact CD2-CG1 3.81Å; Y150-V180 HydrophobicContact CD2-CG2 4.23Å; Y150-V180 HydrophobicContact CE1-CG2 3.44Å; Y150-V180 VanDerWaalsContact CE1-CG2 3.44Å; Y150-V180 HydrophobicContact CE2-CG2 4.44Å; Y150-V180 HydrophobicContact CG-CB 4.19Å; Y150-V180 HydrophobicContact CG-CG1 3.54Å; Y150-V180 HydrophobicContact CG-CG2 3.61Å; Y150-V184 HydrophobicContact CD2-CG2 4.4Å |
| 151 | S | 84.9 | Confident | 84.1 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.1 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | S147 I148 V154 K155 | S147-S151 WeakPolarHBondContact O-CB 3.46Å; S147-S151 PolarHBondContact O-N 2.9Å; S147-S151 PolarHBondContact O-OG 3.28Å; I148-S151 PolarHBondContact O-N 3.28Å; S151-V154 PolarHBondContact O-N 3.5Å; S151-K155 WeakPolarHBondContact O-CG 3.35Å; S151-K155 PolarHBondContact O-N 3.42Å |
| 152 | L | 87.6 | Confident | 82.7 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 175.7 | -66.9 | 175.5 | 0 | 0 | 0 | 111.8 | Y64 I148 Y150 K155 R156 | Y64-L152 HydrophobicContact CD2-CB 4.11Å; Y64-L152 HydrophobicContact CE2-CB 3.56Å; Y64-L152 HydrophobicContact CE2-CD1 4.15Å; I148-L152 HydrophobicContact CG2-CD1 3.8Å; I148-L152 HydrophobicContact CG2-CG 4.28Å; I148-L152 WeakPolarHBondContact O-CB 3.48Å; I148-L152 VanDerWaalsContact O-CG 3.28Å; I148-L152 WeakPolarHBondContact O-CG 3.43Å; I148-L152 PolarHBondContact O-N 3.47Å; Y150-L152 VanDerWaalsContact C-N 3.34Å; Y150-L152 PolarHBondContact O-N 2.87Å; L152-K155 PolarHBondContact O-N 3.4Å; L152-R156 WeakPolarHBondContact O-CB 3.49Å; L152-R156 PolarHBondContact O-N 2.73Å |
| 153 | M | 82.8 | Confident | 81.3 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 175.1 | -171.4 | -174.5 | 73.5 | 0 | 0 | 111.9 | Y64 V67 C149 Y150 R156 L157 I176 V180 | Y64-M153 HydrophobicContact CD2-CB 4.31Å; V67-M153 HydrophobicContact CB-CG 4.02Å; V67-M153 HydrophobicContact CB-SD 4.37Å; V67-M153 HydrophobicContact CG1-CG 3.86Å; V67-M153 HydrophobicContact CG2-CG 4.4Å; V67-M153 HydrophobicContact CG2-SD 4.16Å; C149-M153 WeakPolarHBondContact O-CB 3.36Å; C149-M153 PolarHBondContact O-N 2.61Å; Y150-M153 HydrophobicContact CD1-CE 3.54Å; Y150-M153 HydrophobicContact CD1-SD 4.24Å; Y150-M153 HydrophobicContact CE1-CE 3.98Å; Y150-M153 HydrophobicContact CE1-SD 4.5Å; Y150-M153 WeakPolarHBondContact O-CB 3.12Å; Y150-M153 PolarHBondContact O-N 2.9Å; M153-R156 PolarHBondContact O-N 3.23Å; M153-L157 HydrophobicContact CG-CD1 3.96Å; M153-L157 WeakPolarHBondContact O-CB 3.18Å; M153-L157 VanDerWaalsContact O-CG 3.26Å; M153-L157 WeakPolarHBondContact O-CG 3.47Å; M153-L157 PolarHBondContact O-N 3.39Å; M153-I176 HydrophobicContact CE-CG2 3.29Å; M153-I176 HydrophobicContact SD-CG2 4.35Å; M153-V180 HydrophobicContact CE-CG2 3.84Å |
| 154 | V | 79.8 | Confident | 80.2 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 26% | 0.261 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | Y150 S151 R156 L157 R158 T177 | Y150-V154 WeakPolarHBondContact O-CG2 3.4Å; Y150-V154 PolarHBondContact O-N 3.23Å; S151-V154 PolarHBondContact O-N 3.5Å; V154-R156 PolarHBondContact O-N 3.06Å; V154-L157 PolarHBondContact O-N 2.83Å; V154-R158 WeakPolarHBondContact O-CB 3.49Å; V154-R158 PolarHBondContact O-N 3.07Å; V154-T177 HydrophobicContact CG2-CG2 4.31Å |
| 155 | K | 84 | Confident | 78.8 | Confident | 137 Ų | 137 | 74.5 Ų | 74.5 | 60% | 0.596 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -57.1 | -48.4 | 175.6 | -77.4 | -179.6 | 179.5 | -178.5 | 0 | 111.3 | S151 L152 L157 R158 N159 | S151-K155 WeakPolarHBondContact O-CG 3.35Å; S151-K155 PolarHBondContact O-N 3.42Å; L152-K155 PolarHBondContact O-N 3.4Å; K155-L157 PolarHBondContact O-N 3.27Å; K155-R158 PolarHBondContact O-N 3.29Å; K155-N159 PolarHBondContact O-N 3.09Å; K155-N159 PolarHBondContact O-OD1 2.98Å |
| 156 | R | 82.9 | Confident | 77.5 | Confident | 128 Ų | 128 | 74.5 Ų | 74.5 | 48% | 0.483 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 178.2 | 179.3 | 60.5 | 172.5 | -177 | 0.4 | 111.6 | C68 L152 M153 V154 N159 V160 | C68-R156 HydrophobicContact CB-CG 4.3Å; L152-R156 WeakPolarHBondContact O-CB 3.49Å; L152-R156 PolarHBondContact O-N 2.73Å; M153-R156 PolarHBondContact O-N 3.23Å; V154-R156 PolarHBondContact O-N 3.06Å; R156-N159 PolarHBondContact O-N 2.9Å; R156-V160 VanDerWaalsContact O-CG2 3.31Å; R156-V160 WeakPolarHBondContact O-CG2 3.41Å; R156-V160 PolarHBondContact O-N 3.45Å |
| 157 | L | 75.6 | Confident | 76.2 | Confident | 33 Ų | 33 | 83.4 Ų | 83.4 | 17% | 0.173 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | -179.8 | -71.8 | 166.5 | 0 | 0 | 0 | 112.6 | V67 M153 V154 K155 R161 L173 I176 | V67-L157 HydrophobicContact CG1-CD1 3.97Å; V67-L157 HydrophobicContact CG1-CD2 3.57Å; V67-L157 HydrophobicContact CG1-CG 3.73Å; M153-L157 HydrophobicContact CG-CD1 3.96Å; M153-L157 WeakPolarHBondContact O-CB 3.18Å; M153-L157 VanDerWaalsContact O-CG 3.26Å; M153-L157 WeakPolarHBondContact O-CG 3.47Å; M153-L157 PolarHBondContact O-N 3.39Å; V154-L157 PolarHBondContact O-N 2.83Å; K155-L157 PolarHBondContact O-N 3.27Å; L157-R161 WeakPolarHBondContact O-CB 3.37Å; L157-R161 PolarHBondContact O-N 2.87Å; L157-L173 HydrophobicContact CB-CD1 3.25Å; L157-L173 HydrophobicContact CB-CD2 4.11Å; L157-L173 HydrophobicContact CB-CG 4.3Å; L157-L173 HydrophobicContact CD1-CD1 3.31Å; L157-L173 HydrophobicContact CD2-CD1 4.35Å; L157-L173 HydrophobicContact CG-CD1 3.78Å; L157-I176 HydrophobicContact CD1-CG2 4.43Å |
| 158 | R | 77.9 | Confident | 75.1 | Confident | 171 Ų | 171 | 89 Ų | 89 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 174.1 | -172.6 | 179.2 | 179.7 | -177.7 | -0.6 | 111.6 | V154 K155 R161 I162 | V154-R158 WeakPolarHBondContact O-CB 3.49Å; V154-R158 PolarHBondContact O-N 3.07Å; K155-R158 PolarHBondContact O-N 3.29Å; R158-R161 WeakPolarHBondContact O-CB 3.33Å; R158-R161 PolarHBondContact O-N 3.49Å; R158-I162 PolarHBondContact O-N 3.22Å |
| 159 | N | 79.2 | Confident | 73.8 | Confident | 88 Ų | 88 | 88.5 Ų | 88.5 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.7 | -48.8 | 178 | -68 | -3.8 | 0 | 0 | 0 | 110.9 | K155 R156 R161 I162 L163 | K155-N159 PolarHBondContact O-N 3.09Å; K155-N159 PolarHBondContact O-OD1 2.98Å; R156-N159 PolarHBondContact O-N 2.9Å; N159-R161 PolarHBondContact O-N 2.84Å; N159-I162 PolarHBondContact O-N 2.99Å; N159-I162 VanDerWaalsContact O-N 3.1Å; N159-L163 WeakPolarHBondContact O-CD1 3.28Å; N159-L163 PolarHBondContact O-N 3.42Å |
| 160 | V | 72.3 | Confident | 72.5 | Confident | 42 Ų | 42 | 89 Ų | 89 | 26% | 0.255 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.6 | -28.2 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 112 | R156 S164 | R156-V160 VanDerWaalsContact O-CG2 3.31Å; R156-V160 WeakPolarHBondContact O-CG2 3.41Å; R156-V160 PolarHBondContact O-N 3.45Å; V160-S164 WeakPolarHBondContact O-CB 3.32Å; V160-S164 PolarHBondContact O-N 3.41Å |
| 161 | R | 68.8 | Low | 71.8 | Confident | 119 Ų | 119 | 97.6 Ų | 97.6 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 173.6 | 174.1 | -176.6 | 169.8 | -174.3 | -8.2 | 112.4 | L157 R158 N159 L163 S164 G165 D170 | L157-R161 WeakPolarHBondContact O-CB 3.37Å; L157-R161 PolarHBondContact O-N 2.87Å; R158-R161 WeakPolarHBondContact O-CB 3.33Å; R158-R161 PolarHBondContact O-N 3.49Å; N159-R161 PolarHBondContact O-N 2.84Å; R161-L163 PolarHBondContact O-N 3.3Å; R161-S164 PolarHBondContact O-N 3.26Å; R161-S164 VanDerWaalsContact O-N 3.14Å; R161-G165 PolarHBondContact O-N 3Å; R161-D170 IonicContact CZ-OD1 3.15Å; R161-D170 IonicContact NE-OD1 3.57Å; R161-D170 IonicContact NH1-OD1 2.87Å; R161-D170 PolarHBondContact NH1-OD1 3.31Å; R161-D170 IonicContact NH2-OD1 3.86Å; R161-D170 IonicContact NH2-OD2 3.9Å |
| 162 | I | 61.4 | Low | 71 | Confident | 134 Ų | 134 | 98.7 Ų | 98.7 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.4 | -35 | 178.9 | -66.1 | 168.7 | 0 | 0 | 0 | 110.4 | R158 N159 | R158-I162 PolarHBondContact O-N 3.22Å; N159-I162 PolarHBondContact O-N 2.99Å; N159-I162 VanDerWaalsContact O-N 3.1Å |
| 163 | L | 61.9 | Low | 69.9 | Low | 153 Ų | 153 | 96.1 Ų | 96.1 | 80% | 0.801 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -80.7 | -19.5 | 179.9 | -79.7 | 129.3 | 0 | 0 | 0 | 115.4 | N159 R161 | N159-L163 WeakPolarHBondContact O-CD1 3.28Å; N159-L163 PolarHBondContact O-N 3.42Å; R161-L163 PolarHBondContact O-N 3.3Å |
| 164 | S | 64.7 | Low | 69.2 | Low | 66 Ų | 66 | 102.7 Ų | 102.7 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -126.4 | -10.2 | -161.2 | -163.5 | 0 | 0 | 0 | 0 | 115.4 | V160 R161 S166 | V160-S164 WeakPolarHBondContact O-CB 3.32Å; V160-S164 PolarHBondContact O-N 3.41Å; R161-S164 PolarHBondContact O-N 3.26Å; R161-S164 VanDerWaalsContact O-N 3.14Å; S164-S166 PolarHBondContact O-N 2.77Å |
| 165 | G | 61.9 | Low | 68.9 | Low | 71 Ų | 71 | 103.8 Ų | 103.8 | 73% | 0.732 | 49% | 0.494 | S | S | * | . | trans | 63.6 | -7.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | R161 | R161-G165 PolarHBondContact O-N 3Š| ||
| 166 | S | 65.6 | Low | 68.2 | Low | 60 Ų | 60 | 99.6 Ų | 99.6 | 42% | 0.42 | 48% | 0.477 | S | S | . | . | trans | -76.8 | 130.9 | -173.3 | 172.6 | 0 | 0 | 0 | 0 | 114.6 | S164 E168 | S164-S166 PolarHBondContact O-N 2.77Å; S166-E168 PolarHBondContact OG-N 2.65Å | ||
| 167 | K | 60.1 | Low | 67.5 | Low | 192 Ų | 192 | 95.3 Ų | 95.3 | 84% | 0.835 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.2 | -30.1 | 176.8 | -70.8 | -176.7 | 178.2 | 178.3 | 0 | 113.9 | D170 | K167-D170 VanDerWaalsContact O-CB 3.31Å; K167-D170 WeakPolarHBondContact O-CB 3.45Å; K167-D170 PolarHBondContact O-N 3.36Å |
| 168 | E | 62.7 | Low | 67.4 | Low | 159 Ų | 159 | 101.9 Ų | 101.9 | 74% | 0.743 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -72.1 | -37.3 | -179.9 | -170.3 | 176.1 | -178.9 | 0 | 0 | 111.7 | S166 D170 R171 N172 | S166-E168 PolarHBondContact OG-N 2.65Å; E168-D170 PolarHBondContact O-N 2.9Å; E168-R171 PolarHBondContact O-N 2.94Å; E168-N172 PolarHBondContact O-N 3.3Å |
| 169 | K | 63.3 | Low | 67.1 | Low | 91 Ų | 91 | 95.3 Ų | 95.3 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.7 | -28 | 174.4 | -152.5 | 169.6 | -173.6 | 168.8 | 0 | 112 | L173 | K169-L173 WeakPolarHBondContact O-CB 3.32Å; K169-L173 PolarHBondContact O-N 2.84Å |
| 170 | D | 62.2 | Low | 66.5 | Low | 23 Ų | 23 | 91.7 Ų | 91.7 | 12% | 0.123 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -72.4 | -36.8 | 179.5 | -160.3 | 28 | 0 | 0 | 0 | 112.8 | R161 K167 E168 R174 | R161-D170 IonicContact CZ-OD1 3.15Å; R161-D170 IonicContact NE-OD1 3.57Å; R161-D170 IonicContact NH1-OD1 2.87Å; R161-D170 PolarHBondContact NH1-OD1 3.31Å; R161-D170 IonicContact NH2-OD1 3.86Å; R161-D170 IonicContact NH2-OD2 3.9Å; K167-D170 VanDerWaalsContact O-CB 3.31Å; K167-D170 WeakPolarHBondContact O-CB 3.45Å; K167-D170 PolarHBondContact O-N 3.36Å; E168-D170 PolarHBondContact O-N 2.9Å; D170-R174 VanDerWaalsContact CG-CZ 3.42Å; D170-R174 PolarHBondContact O-N 3.47Å; D170-R174 IonicContact OD1-CZ 3.63Å; D170-R174 IonicContact OD1-NH1 3.09Å; D170-R174 PolarHBondContact OD1-NH1 3.46Å; D170-R174 VanDerWaalsContact OD1-NH1 3.09Å; D170-R174 IonicContact OD1-NH2 2.64Å; D170-R174 IonicContact OD2-CZ 3.04Å; D170-R174 IonicContact OD2-NH1 2.73Å; D170-R174 PolarHBondContact OD2-NH1 3.33Å; D170-R174 IonicContact OD2-NH2 3.72Å; D170-R174 PolarHBondContact OD2-NH2 3.25Å |
| 171 | R | 67.9 | Low | 66.4 | Low | 195 Ų | 195 | 95.3 Ų | 95.3 | 74% | 0.736 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.4 | -43.5 | 177.1 | -173.4 | 174.9 | 127.9 | -171.2 | -3.7 | 111.5 | E168 R175 | E168-R171 PolarHBondContact O-N 2.94Å; R171-R175 WeakPolarHBondContact O-CB 3.1Å; R171-R175 PolarHBondContact O-N 3.34Å |
| 172 | N | 67.8 | Low | 66.9 | Low | 90 Ų | 90 | 93.1 Ų | 93.1 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 175 | -86.8 | 4 | 0 | 0 | 0 | 111.7 | E168 R175 I176 | E168-N172 PolarHBondContact O-N 3.3Å; N172-R175 PolarHBondContact O-N 3.21Å; N172-I176 WeakPolarHBondContact O-CD1 3.15Å; N172-I176 WeakPolarHBondContact O-CG1 3.29Å; N172-I176 PolarHBondContact O-N 3.16Å |
| 173 | L | 66 | Low | 67.5 | Low | 20 Ų | 20 | 87.3 Ų | 87.3 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 176.5 | -179.2 | 55.4 | 0 | 0 | 0 | 112.5 | L157 K169 R175 I176 T177 | L157-L173 HydrophobicContact CB-CD1 3.25Å; L157-L173 HydrophobicContact CB-CD2 4.11Å; L157-L173 HydrophobicContact CB-CG 4.3Å; L157-L173 HydrophobicContact CD1-CD1 3.31Å; L157-L173 HydrophobicContact CD2-CD1 4.35Å; L157-L173 HydrophobicContact CG-CD1 3.78Å; K169-L173 WeakPolarHBondContact O-CB 3.32Å; K169-L173 PolarHBondContact O-N 2.84Å; L173-R175 VanDerWaalsContact C-N 3.27Å; L173-R175 PolarHBondContact O-N 2.96Å; L173-I176 PolarHBondContact O-N 3.39Å; L173-I176 VanDerWaalsContact O-N 3.15Å; L173-T177 PolarHBondContact O-N 2.83Å; L173-T177 PolarHBondContact O-OG1 3.45Å |
| 174 | R | 67.6 | Low | 68.2 | Low | 142 Ų | 142 | 81.5 Ų | 81.5 | 54% | 0.536 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 176.6 | -82 | -167.6 | -81.1 | -88.2 | -0.9 | 112.2 | D170 R178 | D170-R174 VanDerWaalsContact CG-CZ 3.42Å; D170-R174 PolarHBondContact O-N 3.47Å; D170-R174 IonicContact OD1-CZ 3.63Å; D170-R174 IonicContact OD1-NH1 3.09Å; D170-R174 PolarHBondContact OD1-NH1 3.46Å; D170-R174 VanDerWaalsContact OD1-NH1 3.09Å; D170-R174 IonicContact OD1-NH2 2.64Å; D170-R174 IonicContact OD2-CZ 3.04Å; D170-R174 IonicContact OD2-NH1 2.73Å; D170-R174 PolarHBondContact OD2-NH1 3.33Å; D170-R174 IonicContact OD2-NH2 3.72Å; D170-R174 PolarHBondContact OD2-NH2 3.25Å; R174-R178 WeakPolarHBondContact O-CB 3.11Å; R174-R178 PolarHBondContact O-N 3.08Å |
| 175 | R | 73.5 | Confident | 69 | Low | 66 Ų | 66 | 80.8 Ų | 80.8 | 25% | 0.249 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 174.7 | -176.4 | 178.5 | 177.5 | -174.2 | -4.9 | 111.2 | R171 N172 L173 M179 F236 E239 | R171-R175 WeakPolarHBondContact O-CB 3.1Å; R171-R175 PolarHBondContact O-N 3.34Å; N172-R175 PolarHBondContact O-N 3.21Å; L173-R175 VanDerWaalsContact C-N 3.27Å; L173-R175 PolarHBondContact O-N 2.96Å; R175-M179 VanDerWaalsContact O-CB 3.27Å; R175-M179 WeakPolarHBondContact O-CB 3.29Å; R175-M179 PolarHBondContact O-N 3.25Å; R175-F236 PolarHBondContact NH2-O 2.96Å; R175-E239 IonicContact CZ-OE1 3.76Å; R175-E239 IonicContact NH1-OE1 2.81Å; R175-E239 PolarHBondContact NH1-OE1 3.14Å; R175-E239 IonicContact NH2-OE1 3.79Å |
| 176 | I | 69.5 | Low | 69.9 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -50 | 178.7 | -67.2 | 163.8 | 0 | 0 | 0 | 110.8 | M153 L157 N172 L173 R178 M179 V180 | M153-I176 HydrophobicContact CE-CG2 3.29Å; M153-I176 HydrophobicContact SD-CG2 4.35Å; L157-I176 HydrophobicContact CD1-CG2 4.43Å; N172-I176 WeakPolarHBondContact O-CD1 3.15Å; N172-I176 WeakPolarHBondContact O-CG1 3.29Å; N172-I176 PolarHBondContact O-N 3.16Å; L173-I176 PolarHBondContact O-N 3.39Å; L173-I176 VanDerWaalsContact O-N 3.15Å; I176-R178 VanDerWaalsContact C-N 3.35Å; I176-R178 PolarHBondContact O-N 2.85Å; I176-M179 VanDerWaalsContact O-CB 3.31Å; I176-M179 WeakPolarHBondContact O-CB 3.45Å; I176-M179 PolarHBondContact O-N 3.44Å; I176-V180 WeakPolarHBondContact O-CG2 3.49Å; I176-V180 PolarHBondContact O-N 2.93Å |
| 177 | T | 68.3 | Low | 70.5 | Confident | 39 Ų | 39 | 75.5 Ų | 75.5 | 24% | 0.239 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 112 | V154 L173 M179 V180 L181 | V154-T177 HydrophobicContact CG2-CG2 4.31Å; L173-T177 PolarHBondContact O-N 2.83Å; L173-T177 PolarHBondContact O-OG1 3.45Å; T177-M179 VanDerWaalsContact C-N 3.35Å; T177-V180 WeakPolarHBondContact O-CB 2.87Å; T177-V180 PolarHBondContact O-N 3.14Å; T177-L181 HydrophobicContact CG2-CD1 4.44Å; T177-L181 WeakPolarHBondContact O-CG 3.38Å; T177-L181 PolarHBondContact O-N 3.02Å |
| 178 | R | 73.6 | Confident | 71.6 | Confident | 170 Ų | 170 | 69 Ų | 69 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.8 | -44.8 | 175.3 | -174.7 | 178.6 | 70.5 | -169.9 | 4.8 | 111.2 | R174 I176 V180 L181 V182 | R174-R178 WeakPolarHBondContact O-CB 3.11Å; R174-R178 PolarHBondContact O-N 3.08Å; I176-R178 VanDerWaalsContact C-N 3.35Å; I176-R178 PolarHBondContact O-N 2.85Å; R178-V180 VanDerWaalsContact C-N 3.33Å; R178-V180 PolarHBondContact O-N 3.17Å; R178-L181 PolarHBondContact O-N 3.46Å; R178-V182 VanDerWaalsContact O-CG2 3.27Å; R178-V182 WeakPolarHBondContact O-CG2 3.41Å; R178-V182 PolarHBondContact O-N 3.27Å |
| 179 | M | 71 | Confident | 72.8 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 16% | 0.163 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.2 | -46.1 | 175 | 151.5 | -176.7 | 152.9 | 0 | 0 | 111.9 | R175 I176 T177 V182 V183 L237 | R175-M179 VanDerWaalsContact O-CB 3.27Å; R175-M179 WeakPolarHBondContact O-CB 3.29Å; R175-M179 PolarHBondContact O-N 3.25Å; I176-M179 VanDerWaalsContact O-CB 3.31Å; I176-M179 WeakPolarHBondContact O-CB 3.45Å; I176-M179 PolarHBondContact O-N 3.44Å; T177-M179 VanDerWaalsContact C-N 3.35Å; M179-V182 PolarHBondContact O-N 3.21Å; M179-V183 WeakPolarHBondContact O-CG2 3.43Å; M179-V183 PolarHBondContact O-N 2.98Å; M179-L237 HydrophobicContact CB-CD2 3.38Å; M179-L237 HydrophobicContact CB-CG 4.5Å; M179-L237 HydrophobicContact CE-CD1 3.85Å; M179-L237 HydrophobicContact CE-CG 4.46Å; M179-L237 HydrophobicContact CG-CD1 3.52Å; M179-L237 HydrophobicContact CG-CD2 3.16Å; M179-L237 HydrophobicContact CG-CG 3.79Å; M179-L237 HydrophobicContact SD-CB 3.85Å; M179-L237 HydrophobicContact SD-CD1 3.58Å; M179-L237 VanDerWaalsContact SD-CD1 3.58Å; M179-L237 HydrophobicContact SD-CD2 3.28Å; M179-L237 WeakPolarHBondContact SD-CD2 3.33Å; M179-L237 HydrophobicContact SD-CG 3.6Å |
| 180 | V | 66.1 | Low | 73.9 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.4 | -51.4 | 176.3 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | Y150 M153 I176 T177 R178 V182 V183 V184 | Y150-V180 VanDerWaalsContact CB-CG1 3.49Å; Y150-V180 HydrophobicContact CD1-CB 4.22Å; Y150-V180 HydrophobicContact CD1-CG1 4.06Å; Y150-V180 HydrophobicContact CD1-CG2 3.17Å; Y150-V180 HydrophobicContact CD2-CG1 3.81Å; Y150-V180 HydrophobicContact CD2-CG2 4.23Å; Y150-V180 HydrophobicContact CE1-CG2 3.44Å; Y150-V180 VanDerWaalsContact CE1-CG2 3.44Å; Y150-V180 HydrophobicContact CE2-CG2 4.44Å; Y150-V180 HydrophobicContact CG-CB 4.19Å; Y150-V180 HydrophobicContact CG-CG1 3.54Å; Y150-V180 HydrophobicContact CG-CG2 3.61Å; M153-V180 HydrophobicContact CE-CG2 3.84Å; I176-V180 WeakPolarHBondContact O-CG2 3.49Å; I176-V180 PolarHBondContact O-N 2.93Å; T177-V180 WeakPolarHBondContact O-CB 2.87Å; T177-V180 PolarHBondContact O-N 3.14Å; R178-V180 VanDerWaalsContact C-N 3.33Å; R178-V180 PolarHBondContact O-N 3.17Å; V180-V182 VanDerWaalsContact C-N 3.25Å; V180-V182 PolarHBondContact O-N 2.99Å; V180-V183 PolarHBondContact O-N 3.18Å; V180-V184 HydrophobicContact CG1-CG2 4.27Å; V180-V184 WeakPolarHBondContact O-CB 3.44Å; V180-V184 WeakPolarHBondContact O-CG2 3.11Å; V180-V184 PolarHBondContact O-N 3.46Å |
| 181 | L | 71.1 | Confident | 75 | Confident | 117 Ų | 117 | 61.3 Ų | 61.3 | 61% | 0.613 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.4 | -40.9 | -178.9 | -72.5 | 171.4 | 0 | 0 | 0 | 111.1 | T177 R178 A185 | T177-L181 HydrophobicContact CG2-CD1 4.44Å; T177-L181 WeakPolarHBondContact O-CG 3.38Å; T177-L181 PolarHBondContact O-N 3.02Å; R178-L181 PolarHBondContact O-N 3.46Å; L181-A185 WeakPolarHBondContact O-CB 3.15Å; L181-A185 PolarHBondContact O-N 3.37Å |
| 182 | V | 79.2 | Confident | 75.9 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 177.5 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | R178 M179 V180 A185 A186 L233 | R178-V182 VanDerWaalsContact O-CG2 3.27Å; R178-V182 WeakPolarHBondContact O-CG2 3.41Å; R178-V182 PolarHBondContact O-N 3.27Å; M179-V182 PolarHBondContact O-N 3.21Å; V180-V182 VanDerWaalsContact C-N 3.25Å; V180-V182 PolarHBondContact O-N 2.99Å; V182-A185 PolarHBondContact O-N 2.86Å; V182-A186 WeakPolarHBondContact O-CB 3.2Å; V182-A186 PolarHBondContact O-N 2.99Å; V182-L233 HydrophobicContact CG1-CD2 3.67Å |
| 183 | V | 74.2 | Confident | 77 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 179.6 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L56 M179 V180 A186 F187 L233 L237 | L56-V183 HydrophobicContact CD2-CG1 4.46Å; M179-V183 WeakPolarHBondContact O-CG2 3.43Å; M179-V183 PolarHBondContact O-N 2.98Å; V180-V183 PolarHBondContact O-N 3.18Å; V183-A186 PolarHBondContact O-N 2.91Å; V183-F187 WeakPolarHBondContact O-CB 3.2Å; V183-F187 PolarHBondContact O-N 3.4Å; V183-L233 HydrophobicContact CG2-CD1 4.24Å; V183-L233 HydrophobicContact CG2-CD2 4.01Å; V183-L237 HydrophobicContact CG2-CD1 4.21Å |
| 184 | V | 75.3 | Confident | 78 | Confident | 31 Ų | 31 | 51 Ų | 51 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | M143 I146 Y150 V180 F187 V188 | M143-V184 HydrophobicContact CE-CG1 4.08Å; I146-V184 HydrophobicContact CG2-CG2 3.99Å; Y150-V184 HydrophobicContact CD2-CG2 4.4Å; V180-V184 HydrophobicContact CG1-CG2 4.27Å; V180-V184 WeakPolarHBondContact O-CB 3.44Å; V180-V184 WeakPolarHBondContact O-CG2 3.11Å; V180-V184 PolarHBondContact O-N 3.46Å; V184-F187 PolarHBondContact O-N 3.44Å; V184-V188 HydrophobicContact CG1-CG2 4.47Å; V184-V188 WeakPolarHBondContact O-CB 2.71Å; V184-V188 VanDerWaalsContact O-CG2 3.29Å; V184-V188 WeakPolarHBondContact O-CG2 3.44Å; V184-V188 PolarHBondContact O-N 2.9Å |
| 185 | A | 82 | Confident | 79.1 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L181 V182 F187 V188 V189 | L181-A185 WeakPolarHBondContact O-CB 3.15Å; L181-A185 PolarHBondContact O-N 3.37Å; V182-A185 PolarHBondContact O-N 2.86Å; A185-F187 PolarHBondContact O-N 2.91Å; A185-V188 PolarHBondContact O-N 3.29Å; A185-V189 VanDerWaalsContact O-CB 3.3Å; A185-V189 WeakPolarHBondContact O-CB 3.31Å; A185-V189 VanDerWaalsContact O-CG2 3.23Å; A185-V189 WeakPolarHBondContact O-CG2 3.46Å; A185-V189 PolarHBondContact O-N 3.09Å |
| 186 | A | 81.3 | Confident | 79.9 | Confident | 17 Ų | 17 | 46 Ų | 46 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V182 V183 C190 L229 | V182-A186 WeakPolarHBondContact O-CB 3.2Å; V182-A186 PolarHBondContact O-N 2.99Å; V183-A186 PolarHBondContact O-N 2.91Å; A186-C190 WeakPolarHBondContact O-CB 3.34Å; A186-C190 PolarHBondContact O-N 3.46Å; A186-C190 PolarHBondContact O-SG 3.4Å; A186-L229 HydrophobicContact CB-CD1 4.2Å |
| 187 | F | 78.8 | Confident | 80.8 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 178.8 | -167.7 | -83.9 | 0 | 0 | 0 | 112.1 | T53 L56 F139 M143 V183 V184 A185 C190 W191 | T53-F187 HydrophobicContact CG2-CE2 4.1Å; T53-F187 HydrophobicContact CG2-CZ 3.72Å; T53-F187 WeakPolarHBondContact OG1-CE2 3.33Å; T53-F187 WeakPolarHBondContact OG1-CZ 3.44Å; L56-F187 HydrophobicContact CD1-CD2 3.8Å; L56-F187 HydrophobicContact CD1-CE2 4.1Å; F139-F187 HydrophobicContact CD2-CD1 4.41Å; F139-F187 AromaticContact CD2-CE1 3.72Å; F139-F187 HydrophobicContact CD2-CE1 3.72Å; F139-F187 HydrophobicContact CE2-CD1 4.3Å; F139-F187 HydrophobicContact CE2-CE1 4.05Å; M143-F187 HydrophobicContact CG-CD1 3.79Å; M143-F187 HydrophobicContact CG-CE1 3.64Å; M143-F187 HydrophobicContact SD-CB 4.37Å; M143-F187 HydrophobicContact SD-CD1 3.21Å; M143-F187 WeakPolarHBondContact SD-CD1 3.36Å; M143-F187 HydrophobicContact SD-CE1 3.69Å; M143-F187 HydrophobicContact SD-CG 4.03Å; V183-F187 WeakPolarHBondContact O-CB 3.2Å; V183-F187 PolarHBondContact O-N 3.4Å; V184-F187 PolarHBondContact O-N 3.44Å; A185-F187 PolarHBondContact O-N 2.91Å; F187-C190 PolarHBondContact O-N 3.43Å; F187-W191 HydrophobicContact CD1-CB 4.39Å; F187-W191 AromaticContact CD2-CD1 3.61Å; F187-W191 AromaticContact CD2-NE1 4Å; F187-W191 HydrophobicContact CE1-CB 4.19Å; F187-W191 HydrophobicContact CE1-CG 4.34Å; F187-W191 AromaticContact CE2-CD1 3.63Å; F187-W191 HydrophobicContact CE2-CG 4.25Å; F187-W191 AromaticContact CE2-NE1 3.85Å; F187-W191 AromaticContact CG-CD1 3.92Å; F187-W191 HydrophobicContact CZ-CB 4.45Å; F187-W191 AromaticContact CZ-CD1 3.97Å; F187-W191 HydrophobicContact CZ-CG 4.17Å; F187-W191 WeakPolarHBondContact O-CB 3.34Å; F187-W191 PolarHBondContact O-N 3.3Å |
| 188 | V | 83.1 | Confident | 81.6 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -50.2 | 178.6 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | M143 V184 A185 C190 T192 | M143-V188 HydrophobicContact CE-CG2 3.28Å; M143-V188 HydrophobicContact SD-CG2 4.24Å; V184-V188 HydrophobicContact CG1-CG2 4.47Å; V184-V188 WeakPolarHBondContact O-CB 2.71Å; V184-V188 VanDerWaalsContact O-CG2 3.29Å; V184-V188 WeakPolarHBondContact O-CG2 3.44Å; V184-V188 PolarHBondContact O-N 2.9Å; A185-V188 PolarHBondContact O-N 3.29Å; V188-C190 VanDerWaalsContact C-N 3.29Å; V188-C190 PolarHBondContact O-N 2.95Å; V188-T192 WeakPolarHBondContact CA-OG1 3.49Å; V188-T192 WeakPolarHBondContact O-CB 3.44Å; V188-T192 PolarHBondContact O-N 3.48Å; V188-T192 PolarHBondContact O-OG1 3.05Å |
| 189 | V | 86.6 | Confident | 82.3 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 53% | 0.533 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -40.8 | -178.7 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | A185 P193 L222 | A185-V189 VanDerWaalsContact O-CB 3.3Å; A185-V189 WeakPolarHBondContact O-CB 3.31Å; A185-V189 VanDerWaalsContact O-CG2 3.23Å; A185-V189 WeakPolarHBondContact O-CG2 3.46Å; A185-V189 PolarHBondContact O-N 3.09Å; V189-P193 VanDerWaalsContact O-CD 3.22Å; V189-P193 WeakPolarHBondContact O-CD 3.19Å; V189-P193 WeakPolarHBondContact O-CG 3.36Å; V189-L222 HydrophobicContact CG1-CD2 4.33Å; V189-L222 WeakPolarHBondContact O-CD2 3.4Å |
| 190 | C | 86 | Confident | 83.1 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -78 | -39.6 | -175.1 | -61.7 | 0 | 0 | 0 | 0 | 114.6 | A186 F187 V188 L222 N226 | A186-C190 WeakPolarHBondContact O-CB 3.34Å; A186-C190 PolarHBondContact O-N 3.46Å; A186-C190 PolarHBondContact O-SG 3.4Å; F187-C190 PolarHBondContact O-N 3.43Å; V188-C190 VanDerWaalsContact C-N 3.29Å; V188-C190 PolarHBondContact O-N 2.95Å; C190-L222 HydrophobicContact CB-CG 4.42Å; C190-L222 WeakPolarHBondContact CB-O 3.06Å; C190-N226 HydrophobicContact CB-CB 3.73Å |
| 191 | W | 85.7 | Confident | 84 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 8% | 0.076 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -101 | -29.4 | -171 | -72.5 | 99 | 0 | 0 | 0 | 114.3 | M49 F139 F187 I194 H195 N226 | M49-W191 HydrophobicContact CB-CH2 3.61Å; M49-W191 HydrophobicContact CB-CZ3 3.83Å; M49-W191 HydrophobicContact CG-CE3 4.14Å; M49-W191 HydrophobicContact CG-CH2 3.63Å; M49-W191 HydrophobicContact CG-CZ3 3.38Å; M49-W191 HydrophobicContact SD-CE3 4.36Å; M49-W191 HydrophobicContact SD-CH2 4.46Å; M49-W191 HydrophobicContact SD-CZ3 3.7Å; F139-W191 HydrophobicContact CD2-CB 4.18Å; F139-W191 HydrophobicContact CE2-CB 4.35Å; F187-W191 HydrophobicContact CD1-CB 4.39Å; F187-W191 AromaticContact CD2-CD1 3.61Å; F187-W191 AromaticContact CD2-NE1 4Å; F187-W191 HydrophobicContact CE1-CB 4.19Å; F187-W191 HydrophobicContact CE1-CG 4.34Å; F187-W191 AromaticContact CE2-CD1 3.63Å; F187-W191 HydrophobicContact CE2-CG 4.25Å; F187-W191 AromaticContact CE2-NE1 3.85Å; F187-W191 AromaticContact CG-CD1 3.92Å; F187-W191 HydrophobicContact CZ-CB 4.45Å; F187-W191 AromaticContact CZ-CD1 3.97Å; F187-W191 HydrophobicContact CZ-CG 4.17Å; F187-W191 WeakPolarHBondContact O-CB 3.34Å; F187-W191 PolarHBondContact O-N 3.3Å; W191-I194 HydrophobicContact CE3-CG2 4.17Å; W191-I194 WeakPolarHBondContact O-CG2 3.23Å; W191-I194 PolarHBondContact O-N 3.11Å; W191-H195 AromaticContact CE3-NE2 3.63Å; W191-H195 WeakPolarHBondContact O-CB 3.3Å; W191-H195 PolarHBondContact O-CD2 3.4Å; W191-H195 PolarHBondContact O-N 2.89Å; W191-H195 VanDerWaalsContact O-N 3.11Å; W191-N226 PolarHBondContact NE1-ND2 3.42Å |
| 192 | T | 88 | Confident | 84.7 | Confident | 30 Ų | 30 | 36.7 Ų | 36.7 | 18% | 0.184 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | -176.8 | -50.7 | 0 | 0 | 0 | 0 | 112.8 | F139 V188 I194 H195 I196 | F139-T192 WeakPolarHBondContact CE2-OG1 3.31Å; F139-T192 HydrophobicContact CZ-CG2 4.03Å; F139-T192 WeakPolarHBondContact CZ-OG1 3.43Å; V188-T192 WeakPolarHBondContact CA-OG1 3.49Å; V188-T192 WeakPolarHBondContact O-CB 3.44Å; V188-T192 PolarHBondContact O-N 3.48Å; V188-T192 PolarHBondContact O-OG1 3.05Å; T192-I194 PolarHBondContact O-N 2.58Å; T192-H195 PolarHBondContact O-N 3.4Å; T192-I196 HydrophobicContact CG2-CD1 3.56Å; T192-I196 HydrophobicContact CG2-CG1 4.08Å; T192-I196 WeakPolarHBondContact O-CG1 3.22Å; T192-I196 PolarHBondContact O-N 2.9Å |
| 193 | P | 89.6 | Confident | 85 | Confident | 42 Ų | 42 | 37.9 Ų | 37.9 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.2 | -46.6 | -176.4 | -25.6 | 36.9 | 0 | 0 | 0 | 112.6 | V189 I196 L197 C219 L222 | V189-P193 VanDerWaalsContact O-CD 3.22Å; V189-P193 WeakPolarHBondContact O-CD 3.19Å; V189-P193 WeakPolarHBondContact O-CG 3.36Å; P193-I196 PolarHBondContact O-N 2.85Å; P193-L197 WeakPolarHBondContact O-CG 3.05Å; P193-L197 PolarHBondContact O-N 3.48Å; P193-L197 VanDerWaalsContact O-N 3.09Å; P193-C219 HydrophobicContact CB-CB 4.09Å; P193-C219 WeakPolarHBondContact CB-SG 3.42Å; P193-L222 HydrophobicContact CG-CD2 4.21Å |
| 194 | I | 88.4 | Confident | 85.4 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 179.8 | -171.9 | 57.9 | 0 | 0 | 0 | 111.4 | W191 T192 I196 L197 V198 F216 C219 I220 | W191-I194 HydrophobicContact CE3-CG2 4.17Å; W191-I194 WeakPolarHBondContact O-CG2 3.23Å; W191-I194 PolarHBondContact O-N 3.11Å; T192-I194 PolarHBondContact O-N 2.58Å; I194-I196 PolarHBondContact O-N 3.41Å; I194-L197 PolarHBondContact O-N 3.06Å; I194-V198 HydrophobicContact CD1-CG2 4.06Å; I194-V198 HydrophobicContact CG1-CG2 4.24Å; I194-V198 WeakPolarHBondContact O-CB 3.23Å; I194-V198 VanDerWaalsContact O-CG2 3.31Å; I194-V198 WeakPolarHBondContact O-CG2 3.34Å; I194-V198 PolarHBondContact O-N 2.82Å; I194-F216 HydrophobicContact CD1-CD2 4.3Å; I194-F216 HydrophobicContact CD1-CE1 4.38Å; I194-F216 HydrophobicContact CD1-CE2 4.06Å; I194-F216 HydrophobicContact CD1-CZ 4.1Å; I194-C219 HydrophobicContact CB-CB 3.91Å; I194-C219 HydrophobicContact CD1-CB 4.15Å; I194-I220 HydrophobicContact CD1-CG1 3.68Å; I194-I220 HydrophobicContact CG1-CG1 4.28Å |
| 195 | H | 90.2 | Very high | 85.8 | Confident | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 178.3 | -83.2 | -48.3 | 0 | 0 | 0 | 113.4 | M49 F135 S138 F139 W191 T192 L199 | M49-H195 VanDerWaalsContact SD-CE1 3.55Å; F135-H195 HydrophobicContact CD2-CB 3.92Å; F135-H195 HydrophobicContact CE2-CB 4.21Å; S138-H195 PolarHBondContact OG-CE1 2.99Å; S138-H195 PolarHBondContact OG-NE2 3.23Å; F139-H195 AromaticContact CD2-CD2 3.65Å; F139-H195 HydrophobicContact CG-CB 4.47Å; F139-H195 AromaticContact CG-CD2 3.73Å; W191-H195 AromaticContact CE3-NE2 3.63Å; W191-H195 WeakPolarHBondContact O-CB 3.3Å; W191-H195 PolarHBondContact O-CD2 3.4Å; W191-H195 PolarHBondContact O-N 2.89Å; W191-H195 VanDerWaalsContact O-N 3.11Å; T192-H195 PolarHBondContact O-N 3.4Å; H195-L199 WeakPolarHBondContact O-CB 3.31Å; H195-L199 PolarHBondContact O-N 3.1Å |
| 196 | I | 89.4 | Confident | 85.7 | Confident | 96 Ų | 96 | 50 Ų | 50 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 174.4 | -69.4 | 175 | 0 | 0 | 0 | 110.5 | T192 P193 I194 L199 A200 | T192-I196 HydrophobicContact CG2-CD1 3.56Å; T192-I196 HydrophobicContact CG2-CG1 4.08Å; T192-I196 WeakPolarHBondContact O-CG1 3.22Å; T192-I196 PolarHBondContact O-N 2.9Å; P193-I196 PolarHBondContact O-N 2.85Å; I194-I196 PolarHBondContact O-N 3.41Å; I196-L199 PolarHBondContact O-N 3.45Å; I196-A200 VanDerWaalsContact O-CB 3.31Å; I196-A200 WeakPolarHBondContact O-CB 2.87Å; I196-A200 PolarHBondContact O-N 2.81Å |
| 197 | L | 88 | Confident | 85.5 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | -179.7 | -71 | 176.1 | 0 | 0 | 0 | 112.1 | P193 I194 A200 Q201 L207 F216 C219 | P193-L197 WeakPolarHBondContact O-CG 3.05Å; P193-L197 PolarHBondContact O-N 3.48Å; P193-L197 VanDerWaalsContact O-N 3.09Å; I194-L197 PolarHBondContact O-N 3.06Å; L197-A200 PolarHBondContact O-N 3.43Å; L197-Q201 WeakPolarHBondContact O-CB 3.16Å; L197-Q201 PolarHBondContact O-N 3.01Å; L197-L207 HydrophobicContact CD2-CD1 4.11Å; L197-F216 HydrophobicContact CB-CD2 4.14Å; L197-F216 HydrophobicContact CB-CE2 4.39Å; L197-F216 HydrophobicContact CD1-CD2 4.34Å; L197-C219 HydrophobicContact CD1-CB 4.07Å; L197-C219 VanDerWaalsContact CD1-SG 3.57Å |
| 198 | V | 86.4 | Confident | 85.3 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 22% | 0.218 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | I194 Q201 S202 F216 | I194-V198 HydrophobicContact CD1-CG2 4.06Å; I194-V198 HydrophobicContact CG1-CG2 4.24Å; I194-V198 WeakPolarHBondContact O-CB 3.23Å; I194-V198 VanDerWaalsContact O-CG2 3.31Å; I194-V198 WeakPolarHBondContact O-CG2 3.34Å; I194-V198 PolarHBondContact O-N 2.82Å; V198-Q201 PolarHBondContact O-N 3.24Å; V198-S202 WeakPolarHBondContact O-CB 3.45Å; V198-S202 PolarHBondContact O-N 3.11Å; V198-S202 PolarHBondContact O-OG 3.41Å; V198-F216 HydrophobicContact CG2-CE2 3.99Å; V198-F216 HydrophobicContact CG2-CZ 4.03Å |
| 199 | L | 88.7 | Confident | 85.4 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 18% | 0.183 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.8 | -177.8 | 63.6 | 0 | 0 | 0 | 111.3 | F135 H195 I196 Q201 S202 L203 | F135-L199 HydrophobicContact CB-CD1 4.44Å; F135-L199 HydrophobicContact CD1-CD2 4.22Å; F135-L199 HydrophobicContact CD2-CB 4.46Å; F135-L199 HydrophobicContact CD2-CD2 4.05Å; F135-L199 HydrophobicContact CE1-CD2 4.42Å; F135-L199 HydrophobicContact CE2-CD2 4.27Å; F135-L199 HydrophobicContact CG-CD2 4.04Å; F135-L199 HydrophobicContact CZ-CD2 4.45Å; H195-L199 WeakPolarHBondContact O-CB 3.31Å; H195-L199 PolarHBondContact O-N 3.1Å; I196-L199 PolarHBondContact O-N 3.45Å; L199-Q201 PolarHBondContact O-N 3.38Å; L199-S202 WeakPolarHBondContact CA-OG 3.21Å; L199-S202 PolarHBondContact O-N 3.01Å; L199-S202 PolarHBondContact O-OG 3.32Å; L199-L203 HydrophobicContact CD1-CD1 4.19Å; L199-L203 HydrophobicContact CD1-CG 4.3Å; L199-L203 HydrophobicContact CG-CD1 4.02Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 3.34Å |
| 200 | A | 87.8 | Confident | 85.1 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I196 L197 S202 L203 G204 F205 L207 | I196-A200 VanDerWaalsContact O-CB 3.31Å; I196-A200 WeakPolarHBondContact O-CB 2.87Å; I196-A200 PolarHBondContact O-N 2.81Å; L197-A200 PolarHBondContact O-N 3.43Å; A200-S202 VanDerWaalsContact C-N 3.32Å; A200-S202 PolarHBondContact O-N 3.17Å; A200-L203 PolarHBondContact O-N 3.47Å; A200-G204 PolarHBondContact O-N 2.69Å; A200-F205 HydrophobicContact CB-CB 4.29Å; A200-F205 HydrophobicContact CB-CD2 4.15Å; A200-F205 HydrophobicContact CB-CG 4.38Å; A200-F205 WeakPolarHBondContact O-CB 3.38Å; A200-F205 VanDerWaalsContact O-CD2 3.23Å; A200-F205 WeakPolarHBondContact O-CD2 3.47Å; A200-F205 PolarHBondContact O-N 2.91Å; A200-F205 VanDerWaalsContact O-N 3.1Å; A200-L207 HydrophobicContact CB-CD1 4.41Å |
| 201 | Q | 85.3 | Confident | 85 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 175.3 | -174.7 | 174 | -5.6 | 0 | 0 | 111.5 | L197 V198 L199 L203 G204 L207 | L197-Q201 WeakPolarHBondContact O-CB 3.16Å; L197-Q201 PolarHBondContact O-N 3.01Å; V198-Q201 PolarHBondContact O-N 3.24Å; L199-Q201 PolarHBondContact O-N 3.38Å; Q201-L203 PolarHBondContact O-N 3.07Å; Q201-G204 PolarHBondContact O-N 3.32Å; Q201-L207 HydrophobicContact CB-CD1 4.37Å |
| 202 | S | 84.6 | Confident | 84.9 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.8 | -26.1 | -179.8 | 74.6 | 0 | 0 | 0 | 0 | 114 | P128 V198 L199 A200 G204 | P128-S202 VanDerWaalsContact CA-O 3.31Å; P128-S202 WeakPolarHBondContact CA-O 3.27Å; P128-S202 VanDerWaalsContact CB-O 3.26Å; P128-S202 WeakPolarHBondContact CB-O 3.48Å; V198-S202 WeakPolarHBondContact O-CB 3.45Å; V198-S202 PolarHBondContact O-N 3.11Å; V198-S202 PolarHBondContact O-OG 3.41Å; L199-S202 WeakPolarHBondContact CA-OG 3.21Å; L199-S202 PolarHBondContact O-N 3.01Å; L199-S202 PolarHBondContact O-OG 3.32Å; A200-S202 VanDerWaalsContact C-N 3.32Å; A200-S202 PolarHBondContact O-N 3.17Å; S202-G204 VanDerWaalsContact C-N 3.27Å; S202-G204 PolarHBondContact O-N 3.49Å |
| 203 | L | 86.3 | Confident | 84.5 | Confident | 98 Ų | 98 | 76.4 Ų | 76.4 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.7 | 175.8 | -66.5 | 174 | 0 | 0 | 0 | 113.1 | P128 L199 A200 Q201 F205 | P128-L203 HydrophobicContact CB-CD2 4.34Å; L199-L203 HydrophobicContact CD1-CD1 4.19Å; L199-L203 HydrophobicContact CD1-CG 4.3Å; L199-L203 HydrophobicContact CG-CD1 4.02Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 3.34Å; A200-L203 PolarHBondContact O-N 3.47Å; Q201-L203 PolarHBondContact O-N 3.07Å; L203-F205 HydrophobicContact CB-CD2 4.15Å; L203-F205 HydrophobicContact CB-CE2 4.24Å |
| 204 | G | 81.6 | Confident | 84.3 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 61% | 0.608 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | 12.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A200 Q201 S202 I206 | A200-G204 PolarHBondContact O-N 2.69Å; Q201-G204 PolarHBondContact O-N 3.32Å; S202-G204 VanDerWaalsContact C-N 3.27Å; S202-G204 PolarHBondContact O-N 3.49Å; G204-I206 PolarHBondContact O-N 3.46Å |
| 205 | F | 84.8 | Confident | 84.2 | Confident | 134 Ų | 134 | 81.2 Ų | 81.2 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | trans | -70.7 | 128 | 172.7 | -71 | -93.8 | 0 | 0 | 0 | 110.6 | A200 L203 L207 | A200-F205 HydrophobicContact CB-CB 4.29Å; A200-F205 HydrophobicContact CB-CD2 4.15Å; A200-F205 HydrophobicContact CB-CG 4.38Å; A200-F205 WeakPolarHBondContact O-CB 3.38Å; A200-F205 VanDerWaalsContact O-CD2 3.23Å; A200-F205 WeakPolarHBondContact O-CD2 3.47Å; A200-F205 PolarHBondContact O-N 2.91Å; A200-F205 VanDerWaalsContact O-N 3.1Å; L203-F205 HydrophobicContact CB-CD2 4.15Å; L203-F205 HydrophobicContact CB-CE2 4.24Å; F205-L207 PolarHBondContact O-N 3.5Å; F205-L207 VanDerWaalsContact O-N 3.1Å | ||
| 206 | I | 78.5 | Confident | 84 | Confident | 155 Ų | 155 | 83.5 Ų | 83.5 | 80% | 0.795 | 43% | 0.43 | S | S | * | . | trans | -79.1 | 96.8 | -178.5 | -56.1 | 174.5 | 0 | 0 | 0 | 109.9 | G204 R208 | G204-I206 PolarHBondContact O-N 3.46Å; I206-R208 HydrophobicContact CG2-CB 4.06Å; I206-R208 PolarHBondContact O-N 2.79Å | ||
| 207 | L | 77.9 | Confident | 83.7 | Confident | 65 Ų | 65 | 82 Ų | 82 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | trans | -99.8 | 58.6 | 177.7 | -64.4 | -179.9 | 0 | 0 | 0 | 111.8 | L197 A200 Q201 F205 A212 | L197-L207 HydrophobicContact CD2-CD1 4.11Å; A200-L207 HydrophobicContact CB-CD1 4.41Å; Q201-L207 HydrophobicContact CB-CD1 4.37Å; F205-L207 PolarHBondContact O-N 3.5Å; F205-L207 VanDerWaalsContact O-N 3.1Å; L207-A212 HydrophobicContact CB-CB 4.09Å | ||
| 208 | R | 75.2 | Confident | 83.6 | Confident | 224 Ų | 224 | 86.2 Ų | 86.2 | 85% | 0.845 | 44% | 0.438 | S | S | * | . | trans | -105 | 4.3 | -172.2 | -143.4 | 174.9 | 86.9 | 174.4 | 6.2 | 115.5 | I206 | I206-R208 HydrophobicContact CG2-CB 4.06Å; I206-R208 PolarHBondContact O-N 2.79Å | ||
| 209 | S | 84.3 | Confident | 83.7 | Confident | 66 Ų | 66 | 84.7 Ų | 84.7 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -75.8 | 151.3 | 177.4 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | Y211 A212 V213 | S209-Y211 PolarHBondContact O-N 3.29Å; S209-A212 WeakPolarHBondContact O-CB 3.31Å; S209-A212 PolarHBondContact O-N 3.33Å; S209-A212 WeakPolarHBondContact OG-CB 3.37Å; S209-A212 PolarHBondContact OG-N 2.86Å; S209-A212 VanDerWaalsContact OG-N 3.12Å; S209-V213 PolarHBondContact O-N 2.86Å |
| 210 | M | 81.1 | Confident | 83.6 | Confident | 170 Ų | 170 | 85.8 Ų | 85.8 | 84% | 0.837 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -53.1 | -37.9 | 173.6 | -75.4 | -69.3 | -176.1 | 0 | 0 | 111.7 | V213 V214 | M210-V213 PolarHBondContact O-N 3.39Å; M210-V214 WeakPolarHBondContact O-CG2 3.43Å; M210-V214 PolarHBondContact O-N 3.33Å |
| 211 | Y | 83.6 | Confident | 83.5 | Confident | 169 Ų | 169 | 87 Ų | 87 | 66% | 0.663 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 174.3 | 178.9 | -97.2 | 0 | 0 | 0 | 112.4 | S209 V213 V214 M215 | S209-Y211 PolarHBondContact O-N 3.29Å; Y211-V213 PolarHBondContact O-N 2.98Å; Y211-V214 PolarHBondContact O-N 3.1Å; Y211-M215 HydrophobicContact CD1-CG 4.09Å; Y211-M215 HydrophobicContact CD2-CG 4.48Å; Y211-M215 HydrophobicContact CE1-CG 3.64Å; Y211-M215 HydrophobicContact CE2-CG 4.07Å; Y211-M215 HydrophobicContact CE2-SD 4.41Å; Y211-M215 HydrophobicContact CG-CG 4.49Å; Y211-M215 WeakPolarHBondContact O-CB 3.26Å; Y211-M215 VanDerWaalsContact O-CG 3.28Å; Y211-M215 WeakPolarHBondContact O-CG 3.36Å; Y211-M215 PolarHBondContact O-N 2.9Å |
| 212 | A | 82.8 | Confident | 83.5 | Confident | 13 Ų | 13 | 84.2 Ų | 84.2 | 11% | 0.107 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L207 S209 M215 F216 | L207-A212 HydrophobicContact CB-CB 4.09Å; S209-A212 WeakPolarHBondContact O-CB 3.31Å; S209-A212 PolarHBondContact O-N 3.33Å; S209-A212 WeakPolarHBondContact OG-CB 3.37Å; S209-A212 PolarHBondContact OG-N 2.86Å; S209-A212 VanDerWaalsContact OG-N 3.12Å; A212-M215 PolarHBondContact O-N 2.83Å; A212-F216 WeakPolarHBondContact O-CB 3.38Å; A212-F216 PolarHBondContact O-N 2.85Å |
| 213 | V | 80.6 | Confident | 83.5 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 39% | 0.394 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.2 | 177.4 | 0 | 0 | 0 | 0 | 111 | S209 M210 Y211 M215 F216 H217 | S209-V213 PolarHBondContact O-N 2.86Å; M210-V213 PolarHBondContact O-N 3.39Å; Y211-V213 PolarHBondContact O-N 2.98Å; V213-M215 VanDerWaalsContact C-N 3.34Å; V213-M215 PolarHBondContact O-N 3.4Å; V213-F216 WeakPolarHBondContact O-CB 3.31Å; V213-F216 PolarHBondContact O-N 2.75Å; V213-H217 PolarHBondContact O-N 3.09Å; V213-H217 VanDerWaalsContact O-N 3.13Å; V213-H217 PolarHBondContact O-ND1 3.34Å |
| 214 | V | 84.7 | Confident | 83.3 | Confident | 99 Ų | 99 | 81.1 Ų | 81.1 | 60% | 0.6 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 176.8 | 172 | 0 | 0 | 0 | 0 | 111 | M210 Y211 F216 H217 F218 | M210-V214 WeakPolarHBondContact O-CG2 3.43Å; M210-V214 PolarHBondContact O-N 3.33Å; Y211-V214 PolarHBondContact O-N 3.1Å; V214-F216 VanDerWaalsContact C-N 3.31Å; V214-F216 PolarHBondContact O-N 3.06Å; V214-H217 PolarHBondContact O-N 3.11Å; V214-F218 WeakPolarHBondContact O-CB 3.21Å; V214-F218 PolarHBondContact O-N 2.89Å |
| 215 | M | 86.3 | Confident | 83.3 | Confident | 61 Ų | 61 | 82.4 Ų | 82.4 | 30% | 0.3 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 175.8 | -77 | -63.7 | -65.8 | 0 | 0 | 112.2 | Y211 A212 V213 F218 C219 | Y211-M215 HydrophobicContact CD1-CG 4.09Å; Y211-M215 HydrophobicContact CD2-CG 4.48Å; Y211-M215 HydrophobicContact CE1-CG 3.64Å; Y211-M215 HydrophobicContact CE2-CG 4.07Å; Y211-M215 HydrophobicContact CE2-SD 4.41Å; Y211-M215 HydrophobicContact CG-CG 4.49Å; Y211-M215 WeakPolarHBondContact O-CB 3.26Å; Y211-M215 VanDerWaalsContact O-CG 3.28Å; Y211-M215 WeakPolarHBondContact O-CG 3.36Å; Y211-M215 PolarHBondContact O-N 2.9Å; A212-M215 PolarHBondContact O-N 2.83Å; V213-M215 VanDerWaalsContact C-N 3.34Å; V213-M215 PolarHBondContact O-N 3.4Å; M215-F218 PolarHBondContact O-N 3.07Å; M215-C219 WeakPolarHBondContact O-CB 3.48Å; M215-C219 PolarHBondContact O-N 3.08Å; M215-C219 PolarHBondContact O-SG 3.49Å |
| 216 | F | 85.4 | Confident | 83.1 | Confident | 54 Ų | 54 | 76.2 Ų | 76.2 | 24% | 0.237 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 177.5 | -162.1 | -93.6 | 0 | 0 | 0 | 111.4 | I194 L197 V198 A212 V213 V214 F218 C219 I220 | I194-F216 HydrophobicContact CD1-CD2 4.3Å; I194-F216 HydrophobicContact CD1-CE1 4.38Å; I194-F216 HydrophobicContact CD1-CE2 4.06Å; I194-F216 HydrophobicContact CD1-CZ 4.1Å; L197-F216 HydrophobicContact CB-CD2 4.14Å; L197-F216 HydrophobicContact CB-CE2 4.39Å; L197-F216 HydrophobicContact CD1-CD2 4.34Å; V198-F216 HydrophobicContact CG2-CE2 3.99Å; V198-F216 HydrophobicContact CG2-CZ 4.03Å; A212-F216 WeakPolarHBondContact O-CB 3.38Å; A212-F216 PolarHBondContact O-N 2.85Å; V213-F216 WeakPolarHBondContact O-CB 3.31Å; V213-F216 PolarHBondContact O-N 2.75Å; V214-F216 VanDerWaalsContact C-N 3.31Å; V214-F216 PolarHBondContact O-N 3.06Å; F216-F218 PolarHBondContact O-N 3.19Å; F216-C219 PolarHBondContact O-N 3.46Å; F216-I220 HydrophobicContact CD1-CD1 3.55Å; F216-I220 HydrophobicContact CD1-CG1 4.31Å; F216-I220 HydrophobicContact CE1-CD1 3.51Å; F216-I220 HydrophobicContact CE1-CG1 4.33Å; F216-I220 WeakPolarHBondContact O-CG1 3.29Å; F216-I220 PolarHBondContact O-N 3.13Å |
| 217 | H | 84.3 | Confident | 83 | Confident | 66 Ų | 66 | 68.9 Ų | 68.9 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 176.9 | -68.6 | 94.3 | 0 | 0 | 0 | 112.8 | V26 V213 V214 C219 I220 A221 | V26-H217 WeakPolarHBondContact CG2-CD2 3.49Å; V213-H217 PolarHBondContact O-N 3.09Å; V213-H217 VanDerWaalsContact O-N 3.13Å; V213-H217 PolarHBondContact O-ND1 3.34Å; V214-H217 PolarHBondContact O-N 3.11Å; H217-C219 VanDerWaalsContact C-N 3.35Å; H217-I220 PolarHBondContact O-N 3.38Å; H217-A221 WeakPolarHBondContact O-CB 3.3Å; H217-A221 PolarHBondContact O-N 3.29Å |
| 218 | F | 86.8 | Confident | 82.7 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 54% | 0.535 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 173.9 | 178.1 | -97 | 0 | 0 | 0 | 111.8 | V214 M215 F216 A221 L222 | V214-F218 WeakPolarHBondContact O-CB 3.21Å; V214-F218 PolarHBondContact O-N 2.89Å; M215-F218 PolarHBondContact O-N 3.07Å; F216-F218 PolarHBondContact O-N 3.19Å; F218-A221 PolarHBondContact O-N 3.29Å; F218-L222 WeakPolarHBondContact O-CB 3.5Å; F218-L222 PolarHBondContact O-N 2.86Å |
| 219 | C | 88.3 | Confident | 82.6 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 177.7 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | P193 I194 L197 M215 F216 H217 L222 G223 | P193-C219 HydrophobicContact CB-CB 4.09Å; P193-C219 WeakPolarHBondContact CB-SG 3.42Å; I194-C219 HydrophobicContact CB-CB 3.91Å; I194-C219 HydrophobicContact CD1-CB 4.15Å; L197-C219 HydrophobicContact CD1-CB 4.07Å; L197-C219 VanDerWaalsContact CD1-SG 3.57Å; M215-C219 WeakPolarHBondContact O-CB 3.48Å; M215-C219 PolarHBondContact O-N 3.08Å; M215-C219 PolarHBondContact O-SG 3.49Å; F216-C219 PolarHBondContact O-N 3.46Å; H217-C219 VanDerWaalsContact C-N 3.35Å; C219-L222 PolarHBondContact O-N 3.15Å; C219-G223 PolarHBondContact O-N 3.25Å |
| 220 | I | 84.8 | Confident | 82 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 29% | 0.292 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 171.3 | -71.7 | 171.3 | 0 | 0 | 0 | 110.4 | I194 F216 H217 L222 G223 Y224 | I194-I220 HydrophobicContact CD1-CG1 3.68Å; I194-I220 HydrophobicContact CG1-CG1 4.28Å; F216-I220 HydrophobicContact CD1-CD1 3.55Å; F216-I220 HydrophobicContact CD1-CG1 4.31Å; F216-I220 HydrophobicContact CE1-CD1 3.51Å; F216-I220 HydrophobicContact CE1-CG1 4.33Å; F216-I220 WeakPolarHBondContact O-CG1 3.29Å; F216-I220 PolarHBondContact O-N 3.13Å; H217-I220 PolarHBondContact O-N 3.38Å; I220-L222 PolarHBondContact O-N 3.32Å; I220-G223 WeakPolarHBondContact O-CA 3.42Å; I220-G223 PolarHBondContact O-N 3.08Å; I220-Y224 HydrophobicContact CG2-CD2 3.86Å; I220-Y224 HydrophobicContact CG2-CE2 3.48Å; I220-Y224 VanDerWaalsContact CG2-CE2 3.48Å; I220-Y224 VanDerWaalsContact O-CD2 3.26Å; I220-Y224 WeakPolarHBondContact O-CD2 3.41Å; I220-Y224 PolarHBondContact O-N 3.04Å; I220-Y224 VanDerWaalsContact O-N 3.12Å |
| 221 | A | 86 | Confident | 81.3 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H217 F218 G223 Y224 I225 | H217-A221 WeakPolarHBondContact O-CB 3.3Å; H217-A221 PolarHBondContact O-N 3.29Å; F218-A221 PolarHBondContact O-N 3.29Å; A221-G223 VanDerWaalsContact C-N 3.35Å; A221-Y224 PolarHBondContact O-N 3.44Å; A221-I225 WeakPolarHBondContact O-CG1 3.45Å; A221-I225 PolarHBondContact O-N 3.29Å; A221-I225 VanDerWaalsContact O-N 3.09Å |
| 222 | L | 86.2 | Confident | 80.5 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 175 | -159.7 | 70 | 0 | 0 | 0 | 112.4 | V189 C190 P193 F218 C219 I220 I225 N226 | V189-L222 HydrophobicContact CG1-CD2 4.33Å; V189-L222 WeakPolarHBondContact O-CD2 3.4Å; C190-L222 HydrophobicContact CB-CG 4.42Å; C190-L222 WeakPolarHBondContact CB-O 3.06Å; P193-L222 HydrophobicContact CG-CD2 4.21Å; F218-L222 WeakPolarHBondContact O-CB 3.5Å; F218-L222 PolarHBondContact O-N 2.86Å; C219-L222 PolarHBondContact O-N 3.15Å; I220-L222 PolarHBondContact O-N 3.32Å; L222-I225 HydrophobicContact CD1-CD1 4.08Å; L222-I225 WeakPolarHBondContact O-CB 3.19Å; L222-I225 PolarHBondContact O-N 2.86Å; L222-N226 PolarHBondContact O-N 3.12Å |
| 223 | G | 84.2 | Confident | 79.7 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C219 I220 A221 I225 N226 | C219-G223 PolarHBondContact O-N 3.25Å; I220-G223 WeakPolarHBondContact O-CA 3.42Å; I220-G223 PolarHBondContact O-N 3.08Å; A221-G223 VanDerWaalsContact C-N 3.35Å; G223-I225 VanDerWaalsContact C-N 3.3Å; G223-I225 PolarHBondContact O-N 3.37Å; G223-N226 WeakPolarHBondContact O-CB 3.27Å; G223-N226 PolarHBondContact O-N 3.01Å; G223-N226 VanDerWaalsContact O-N 3.08Å |
| 224 | Y | 82.5 | Confident | 78.9 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -31.8 | 175.7 | -75.2 | -73.3 | 0 | 0 | 0 | 113.5 | A15 D45 I220 A221 N226 S227 G228 | A15-Y224 HydrophobicContact CB-CE1 4.19Å; D45-Y224 PolarHBondContact OD1-OH 3.24Å; D45-Y224 VanDerWaalsContact OD1-OH 3.06Å; D45-Y224 PolarHBondContact OD2-OH 3.34Å; I220-Y224 HydrophobicContact CG2-CD2 3.86Å; I220-Y224 HydrophobicContact CG2-CE2 3.48Å; I220-Y224 VanDerWaalsContact CG2-CE2 3.48Å; I220-Y224 VanDerWaalsContact O-CD2 3.26Å; I220-Y224 WeakPolarHBondContact O-CD2 3.41Å; I220-Y224 PolarHBondContact O-N 3.04Å; I220-Y224 VanDerWaalsContact O-N 3.12Å; A221-Y224 PolarHBondContact O-N 3.44Å; Y224-N226 PolarHBondContact O-N 3.22Å; Y224-S227 WeakPolarHBondContact O-CB 3.39Å; Y224-S227 PolarHBondContact O-N 3.1Å; Y224-S227 VanDerWaalsContact O-N 3.13Å; Y224-G228 PolarHBondContact O-N 3.45Å |
| 225 | I | 82.2 | Confident | 77.8 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.2 | -33.1 | 174.1 | -71.6 | 167 | 0 | 0 | 0 | 110.7 | A221 L222 G223 S227 G228 L229 | A221-I225 WeakPolarHBondContact O-CG1 3.45Å; A221-I225 PolarHBondContact O-N 3.29Å; A221-I225 VanDerWaalsContact O-N 3.09Å; L222-I225 HydrophobicContact CD1-CD1 4.08Å; L222-I225 WeakPolarHBondContact O-CB 3.19Å; L222-I225 PolarHBondContact O-N 2.86Å; G223-I225 VanDerWaalsContact C-N 3.3Å; G223-I225 PolarHBondContact O-N 3.37Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 3.48Å; I225-G228 CarbonylContact O-C 3.56Å; I225-G228 WeakPolarHBondContact O-CA 3.04Å; I225-G228 PolarHBondContact O-N 3.01Å; I225-G228 VanDerWaalsContact O-N 3.08Å; I225-L229 HydrophobicContact CG2-CD1 3.84Å; I225-L229 HydrophobicContact CG2-CG 3.97Å; I225-L229 VanDerWaalsContact O-CG 3.27Å; I225-L229 WeakPolarHBondContact O-CG 3.33Å; I225-L229 PolarHBondContact O-N 3.02Å |
| 226 | N | 80.7 | Confident | 76.6 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 175.4 | -175.5 | 75.5 | 0 | 0 | 0 | 112.4 | C190 W191 L222 G223 Y224 G228 L229 N230 | C190-N226 HydrophobicContact CB-CB 3.73Å; W191-N226 PolarHBondContact NE1-ND2 3.42Å; L222-N226 PolarHBondContact O-N 3.12Å; G223-N226 WeakPolarHBondContact O-CB 3.27Å; G223-N226 PolarHBondContact O-N 3.01Å; G223-N226 VanDerWaalsContact O-N 3.08Å; Y224-N226 PolarHBondContact O-N 3.22Å; N226-G228 VanDerWaalsContact C-N 3.35Å; N226-L229 PolarHBondContact O-N 3.09Å; N226-N230 PolarHBondContact O-N 3.06Å; N226-N230 PolarHBondContact O-ND2 2.85Å; N226-N230 PolarHBondContact O-OD1 2.84Å |
| 227 | S | 76.4 | Confident | 75.2 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 173.4 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | D12 N48 Y224 I225 L229 N230 P231 | D12-S227 VanDerWaalsContact CG-CB 3.46Å; D12-S227 WeakPolarHBondContact OD1-CB 3.42Å; D12-S227 PolarHBondContact OD1-OG 2.84Å; N48-S227 PolarHBondContact OD1-OG 3.25Å; Y224-S227 WeakPolarHBondContact O-CB 3.39Å; Y224-S227 PolarHBondContact O-N 3.1Å; Y224-S227 VanDerWaalsContact O-N 3.13Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 3.48Å; S227-L229 VanDerWaalsContact C-N 3.35Å; S227-L229 PolarHBondContact O-N 2.94Å; S227-N230 WeakPolarHBondContact O-CB 3.47Å; S227-N230 PolarHBondContact O-N 2.77Å; S227-P231 WeakPolarHBondContact O-CD 3.4Å |
| 228 | G | 71.3 | Confident | 74.1 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.5 | -27.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y224 I225 N226 | Y224-G228 PolarHBondContact O-N 3.45Å; I225-G228 CarbonylContact O-C 3.56Å; I225-G228 WeakPolarHBondContact O-CA 3.04Å; I225-G228 PolarHBondContact O-N 3.01Å; I225-G228 VanDerWaalsContact O-N 3.08Å; N226-G228 VanDerWaalsContact C-N 3.35Å |
| 229 | L | 72.5 | Confident | 72.9 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -77.3 | -22.9 | 178.3 | -72.2 | 173 | 0 | 0 | 0 | 112.7 | A186 I225 N226 S227 V232 L233 | A186-L229 HydrophobicContact CB-CD1 4.2Å; I225-L229 HydrophobicContact CG2-CD1 3.84Å; I225-L229 HydrophobicContact CG2-CG 3.97Å; I225-L229 VanDerWaalsContact O-CG 3.27Å; I225-L229 WeakPolarHBondContact O-CG 3.33Å; I225-L229 PolarHBondContact O-N 3.02Å; N226-L229 PolarHBondContact O-N 3.09Å; S227-L229 VanDerWaalsContact C-N 3.35Å; S227-L229 PolarHBondContact O-N 2.94Å; L229-V232 WeakPolarHBondContact O-CB 3.49Å; L229-V232 PolarHBondContact O-N 3.49Å; L229-V232 VanDerWaalsContact O-N 3.15Å; L229-L233 HydrophobicContact CB-CD1 4.41Å; L229-L233 VanDerWaalsContact O-CG 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.43Å; L229-L233 PolarHBondContact O-N 3.39Å |
| 230 | N | 71.8 | Confident | 71.5 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.7 | -52.6 | -177 | -76.5 | -27.2 | 0 | 0 | 0 | 113.2 | L8 D12 N226 S227 V232 L233 Y234 | L8-N230 HydrophobicContact CD2-CB 4.11Å; D12-N230 PolarHBondContact OD2-ND2 2.93Å; N226-N230 PolarHBondContact O-N 3.06Å; N226-N230 PolarHBondContact O-ND2 2.85Å; N226-N230 PolarHBondContact O-OD1 2.84Å; S227-N230 WeakPolarHBondContact O-CB 3.47Å; S227-N230 PolarHBondContact O-N 2.77Å; N230-V232 VanDerWaalsContact C-N 3.3Å; N230-V232 PolarHBondContact O-N 3.22Å; N230-L233 WeakPolarHBondContact O-CB 3.37Å; N230-L233 PolarHBondContact O-N 3.46Å; N230-Y234 HydrophobicContact CB-CE2 3.9Å; N230-Y234 WeakPolarHBondContact O-CD2 3.2Å; N230-Y234 VanDerWaalsContact O-CE2 3.29Å; N230-Y234 WeakPolarHBondContact O-CE2 3.44Å; N230-Y234 PolarHBondContact O-N 3.46Å |
| 231 | P | 66.4 | Low | 70.3 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 174.9 | -25.4 | 34.2 | 0 | 0 | 0 | 113.9 | S227 Y234 A235 | S227-P231 WeakPolarHBondContact O-CD 3.4Å; P231-Y234 PolarHBondContact O-N 2.85Å; P231-A235 WeakPolarHBondContact O-CB 3.47Å; P231-A235 PolarHBondContact O-N 2.99Å |
| 232 | V | 66.4 | Low | 69.2 | Low | 72 Ų | 72 | 47.8 Ų | 47.8 | 44% | 0.436 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | L229 N230 A235 F236 | L229-V232 WeakPolarHBondContact O-CB 3.49Å; L229-V232 PolarHBondContact O-N 3.49Å; L229-V232 VanDerWaalsContact O-N 3.15Å; N230-V232 VanDerWaalsContact C-N 3.3Å; N230-V232 PolarHBondContact O-N 3.22Å; V232-A235 PolarHBondContact O-N 2.03Å; V232-F236 HydrophobicContact CG1-CD2 3.89Å; V232-F236 HydrophobicContact CG1-CE2 3.64Å; V232-F236 WeakPolarHBondContact O-CD2 3.15Å; V232-F236 PolarHBondContact O-N 3.34Å; V232-F236 VanDerWaalsContact O-N 3.14Å |
| 233 | L | 65.5 | Low | 68 | Low | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -53.9 | -61.6 | 172.8 | -68.3 | 165.6 | 0 | 0 | 0 | 108.7 | V182 V183 L229 N230 A235 F236 L237 | V182-L233 HydrophobicContact CG1-CD2 3.67Å; V183-L233 HydrophobicContact CG2-CD1 4.24Å; V183-L233 HydrophobicContact CG2-CD2 4.01Å; L229-L233 HydrophobicContact CB-CD1 4.41Å; L229-L233 VanDerWaalsContact O-CG 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.43Å; L229-L233 PolarHBondContact O-N 3.39Å; N230-L233 WeakPolarHBondContact O-CB 3.37Å; N230-L233 PolarHBondContact O-N 3.46Å; L233-A235 VanDerWaalsContact C-N 3.28Å; L233-A235 PolarHBondContact O-N 2.75Å; L233-A235 VanDerWaalsContact O-N 3.16Å; L233-F236 WeakPolarHBondContact O-CA 3.43Å; L233-F236 PolarHBondContact O-N 3.06Å; L233-L237 HydrophobicContact CB-CD1 4.28Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 3.46Å |
| 234 | Y | 64.2 | Low | 67 | Low | 23 Ų | 23 | 55.7 Ų | 55.7 | 9% | 0.09 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -37.3 | -177 | -58.1 | -55.4 | 0 | 0 | 0 | 114.2 | I5 L8 M59 N230 P231 F236 L237 D238 | I5-Y234 HydrophobicContact CD1-CD1 4.11Å; I5-Y234 HydrophobicContact CD1-CG 4.35Å; I5-Y234 HydrophobicContact CG1-CD1 4.13Å; I5-Y234 HydrophobicContact CG1-CE1 4.24Å; I5-Y234 HydrophobicContact CG1-CG 4.37Å; I5-Y234 HydrophobicContact CG2-CD2 4.07Å; I5-Y234 HydrophobicContact CG2-CG 4.32Å; L8-Y234 HydrophobicContact CD2-CE2 3.55Å; L8-Y234 WeakPolarHBondContact CD2-OH 3.47Å; M59-Y234 HydrophobicContact CE-CE1 4.19Å; M59-Y234 WeakPolarHBondContact CE-OH 3.24Å; M59-Y234 HydrophobicContact SD-CE1 4.13Å; N230-Y234 HydrophobicContact CB-CE2 3.9Å; N230-Y234 WeakPolarHBondContact O-CD2 3.2Å; N230-Y234 VanDerWaalsContact O-CE2 3.29Å; N230-Y234 WeakPolarHBondContact O-CE2 3.44Å; N230-Y234 PolarHBondContact O-N 3.46Å; P231-Y234 PolarHBondContact O-N 2.85Å; Y234-F236 PolarHBondContact O-N 3.09Å; Y234-L237 PolarHBondContact O-N 3.39Å; Y234-L237 VanDerWaalsContact O-N 3.08Å; Y234-D238 PolarHBondContact O-N 3.49Å |
| 235 | A | 62.2 | Low | 66.2 | Low | 33 Ų | 33 | 59.5 Ų | 59.5 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60 | -28.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | P231 V232 L233 F241 K242 | P231-A235 WeakPolarHBondContact O-CB 3.47Å; P231-A235 PolarHBondContact O-N 2.99Å; V232-A235 PolarHBondContact O-N 2.03Å; L233-A235 VanDerWaalsContact C-N 3.28Å; L233-A235 PolarHBondContact O-N 2.75Å; L233-A235 VanDerWaalsContact O-N 3.16Å; A235-F241 HydrophobicContact CB-CD1 4.35Å; A235-F241 HydrophobicContact CB-CE1 4.18Å; A235-K242 WeakPolarHBondContact O-CE 3.07Å; A235-K242 WeakPolarHBondContact O-CG 3.05Å |
| 236 | F | 60.1 | Low | 65.4 | Low | 134 Ų | 134 | 63 Ų | 63 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -88.6 | -28.3 | 171.6 | -73.3 | -69.5 | 0 | 0 | 0 | 113.5 | R175 V232 L233 Y234 | R175-F236 PolarHBondContact NH2-O 2.96Å; V232-F236 HydrophobicContact CG1-CD2 3.89Å; V232-F236 HydrophobicContact CG1-CE2 3.64Å; V232-F236 WeakPolarHBondContact O-CD2 3.15Å; V232-F236 PolarHBondContact O-N 3.34Å; V232-F236 VanDerWaalsContact O-N 3.14Å; L233-F236 WeakPolarHBondContact O-CA 3.43Å; L233-F236 PolarHBondContact O-N 3.06Å; Y234-F236 PolarHBondContact O-N 3.09Å |
| 237 | L | 56.3 | Low | 64.9 | Low | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -90.6 | -36.8 | -168.2 | -58.7 | -173.4 | 0 | 0 | 0 | 114.8 | M179 V183 L233 Y234 | M179-L237 HydrophobicContact CB-CD2 3.38Å; M179-L237 HydrophobicContact CB-CG 4.5Å; M179-L237 HydrophobicContact CE-CD1 3.85Å; M179-L237 HydrophobicContact CE-CG 4.46Å; M179-L237 HydrophobicContact CG-CD1 3.52Å; M179-L237 HydrophobicContact CG-CD2 3.16Å; M179-L237 HydrophobicContact CG-CG 3.79Å; M179-L237 HydrophobicContact SD-CB 3.85Å; M179-L237 HydrophobicContact SD-CD1 3.58Å; M179-L237 VanDerWaalsContact SD-CD1 3.58Å; M179-L237 HydrophobicContact SD-CD2 3.28Å; M179-L237 WeakPolarHBondContact SD-CD2 3.33Å; M179-L237 HydrophobicContact SD-CG 3.6Å; V183-L237 HydrophobicContact CG2-CD1 4.21Å; L233-L237 HydrophobicContact CB-CD1 4.28Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 3.46Å; Y234-L237 PolarHBondContact O-N 3.39Å; Y234-L237 VanDerWaalsContact O-N 3.08Å |
| 238 | D | 62.3 | Low | 64.6 | Low | 18 Ų | 18 | 75.7 Ų | 75.7 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | trans | -113.7 | 118.8 | -174.4 | -157.9 | -38.8 | 0 | 0 | 0 | 112.1 | R63 Y234 N240 F241 K242 | R63-D238 IonicContact NH2-OD2 3.97Å; Y234-D238 PolarHBondContact O-N 3.49Å; D238-N240 VanDerWaalsContact C-N 3.29Å; D238-N240 VanDerWaalsContact OD1-CB 3.31Å; D238-N240 WeakPolarHBondContact OD1-CB 3.47Å; D238-N240 PolarHBondContact OD1-N 3.47Å; D238-F241 HydrophobicContact CB-CB 3.77Å; D238-F241 PolarHBondContact O-N 3.34Å; D238-K242 WeakPolarHBondContact O-CG 3.26Å; D238-K242 PolarHBondContact O-N 3.29Å | ||
| 239 | E | 60.8 | Low | 64.7 | Low | 123 Ų | 123 | 77.3 Ų | 77.3 | 58% | 0.575 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.1 | -25.8 | 177.7 | -66.8 | -165.8 | 175 | 0 | 0 | 112.7 | R175 R243 | R175-E239 IonicContact CZ-OE1 3.76Å; R175-E239 IonicContact NH1-OE1 2.81Å; R175-E239 PolarHBondContact NH1-OE1 3.14Å; R175-E239 IonicContact NH2-OE1 3.79Å; E239-R243 WeakPolarHBondContact O-CB 3.44Å; E239-R243 PolarHBondContact O-N 3.35Å |
| 240 | N | 58 | Low | 64.6 | Low | 79 Ų | 79 | 80.7 Ų | 80.7 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.9 | -40.6 | 170.7 | -65.3 | -48.2 | 0 | 0 | 0 | 110.6 | D238 R243 C244 | D238-N240 VanDerWaalsContact C-N 3.29Å; D238-N240 VanDerWaalsContact OD1-CB 3.31Å; D238-N240 WeakPolarHBondContact OD1-CB 3.47Å; D238-N240 PolarHBondContact OD1-N 3.47Å; N240-R243 PolarHBondContact O-N 2.93Å; N240-R243 PolarHBondContact OD1-NH2 3.38Å; N240-C244 WeakPolarHBondContact O-CB 3.41Å; N240-C244 PolarHBondContact O-N 3.21Å; N240-C244 PolarHBondContact O-SG 3.48Å |
| 241 | F | 60.1 | Low | 63.6 | Low | 47 Ų | 47 | 85.5 Ų | 85.5 | 21% | 0.206 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 173.5 | -171 | -91.6 | 0 | 0 | 0 | 111.1 | I5 A235 D238 R243 C244 F245 | I5-F241 HydrophobicContact CG2-CE2 4.36Å; A235-F241 HydrophobicContact CB-CD1 4.35Å; A235-F241 HydrophobicContact CB-CE1 4.18Å; D238-F241 HydrophobicContact CB-CB 3.77Å; D238-F241 PolarHBondContact O-N 3.34Å; F241-R243 VanDerWaalsContact C-N 3.28Å; F241-R243 PolarHBondContact O-N 2.92Å; F241-C244 PolarHBondContact O-N 2.88Å; F241-F245 HydrophobicContact CD1-CB 4.49Å; F241-F245 HydrophobicContact CE1-CB 4.41Å; F241-F245 HydrophobicContact CE1-CD2 4.42Å; F241-F245 WeakPolarHBondContact O-CB 3.49Å; F241-F245 PolarHBondContact O-N 3.05Å |
| 242 | K | 62.8 | Low | 63 | Low | 73 Ų | 73 | 86.2 Ų | 86.2 | 32% | 0.317 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 172.8 | -73.3 | 178.8 | 179.9 | -177.7 | 0 | 112.8 | A235 D238 R246 | A235-K242 WeakPolarHBondContact O-CE 3.07Å; A235-K242 WeakPolarHBondContact O-CG 3.05Å; D238-K242 WeakPolarHBondContact O-CG 3.26Å; D238-K242 PolarHBondContact O-N 3.29Å; K242-R246 WeakPolarHBondContact O-CB 3.28Å; K242-R246 PolarHBondContact O-N 2.9Å; K242-R246 VanDerWaalsContact O-N 3.07Å |
| 243 | R | 62.2 | Low | 62.4 | Low | 139 Ų | 139 | 88.5 Ų | 88.5 | 53% | 0.525 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.7 | -51.7 | 178.6 | -175.2 | -179.4 | 65.5 | -165.3 | -4.7 | 110.9 | E239 N240 F241 F245 R246 E247 | E239-R243 WeakPolarHBondContact O-CB 3.44Å; E239-R243 PolarHBondContact O-N 3.35Å; N240-R243 PolarHBondContact O-N 2.93Å; N240-R243 PolarHBondContact OD1-NH2 3.38Å; F241-R243 VanDerWaalsContact C-N 3.28Å; F241-R243 PolarHBondContact O-N 2.92Å; R243-F245 PolarHBondContact O-N 2.94Å; R243-R246 WeakPolarHBondContact O-CB 3.41Å; R243-R246 PolarHBondContact O-N 3.35Å; R243-E247 WeakPolarHBondContact O-CG 3.38Å; R243-E247 PolarHBondContact O-N 3.13Å |
| 244 | C | 63.3 | Low | 61.6 | Low | 65 Ų | 65 | 94.4 Ų | 94.4 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 179.4 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | N240 F241 R246 E247 F248 | N240-C244 WeakPolarHBondContact O-CB 3.41Å; N240-C244 PolarHBondContact O-N 3.21Å; N240-C244 PolarHBondContact O-SG 3.48Å; F241-C244 PolarHBondContact O-N 2.88Å; C244-R246 VanDerWaalsContact C-N 3.34Å; C244-R246 PolarHBondContact O-N 3.43Å; C244-E247 PolarHBondContact O-N 3.46Å; C244-F248 WeakPolarHBondContact O-CB 3.44Å; C244-F248 PolarHBondContact O-N 3.41Å |
| 245 | F | 64.7 | Low | 60.8 | Low | 114 Ų | 114 | 103.7 Ų | 103.7 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 174 | -172.8 | -98.5 | 0 | 0 | 0 | 111.5 | F241 R243 F248 C249 | F241-F245 HydrophobicContact CD1-CB 4.49Å; F241-F245 HydrophobicContact CE1-CB 4.41Å; F241-F245 HydrophobicContact CE1-CD2 4.42Å; F241-F245 WeakPolarHBondContact O-CB 3.49Å; F241-F245 PolarHBondContact O-N 3.05Å; R243-F245 PolarHBondContact O-N 2.94Å; F245-F248 PolarHBondContact O-N 3.39Å; F245-C249 VanDerWaalsContact CE1-SG 3.54Å; F245-C249 VanDerWaalsContact CZ-SG 3.51Å; F245-C249 WeakPolarHBondContact O-CB 3.43Å; F245-C249 PolarHBondContact O-N 3.39Å; F245-C249 PolarHBondContact O-SG 3.22Å; F245-C249 VanDerWaalsContact O-SG 3.39Å |
| 246 | R | 65.9 | Low | 60 | Low | 161 Ų | 161 | 109.8 Ų | 109.8 | 61% | 0.608 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -41.1 | 173.9 | -168.5 | -175.4 | -54.9 | -114.4 | -2.2 | 111.8 | K242 R243 C244 F248 Q250 | K242-R246 WeakPolarHBondContact O-CB 3.28Å; K242-R246 PolarHBondContact O-N 2.9Å; K242-R246 VanDerWaalsContact O-N 3.07Å; R243-R246 WeakPolarHBondContact O-CB 3.41Å; R243-R246 PolarHBondContact O-N 3.35Å; C244-R246 VanDerWaalsContact C-N 3.34Å; C244-R246 PolarHBondContact O-N 3.43Å; R246-F248 VanDerWaalsContact C-N 3.31Å; R246-Q250 WeakPolarHBondContact O-CA 3.36Å; R246-Q250 VanDerWaalsContact O-CB 3.26Å; R246-Q250 WeakPolarHBondContact O-CB 3.44Å; R246-Q250 PolarHBondContact O-N 3.46Å |
| 247 | E | 68.9 | Low | 59.1 | Low | 102 Ų | 102 | 107.3 Ų | 107.3 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -31.4 | 174.5 | -72 | 169.7 | 179 | 0 | 0 | 112.6 | R243 C244 Q250 | R243-E247 WeakPolarHBondContact O-CG 3.38Å; R243-E247 PolarHBondContact O-N 3.13Å; C244-E247 PolarHBondContact O-N 3.46Å; E247-Q250 CarbonylContact O-C 3.55Å; E247-Q250 VanDerWaalsContact O-O 3.06Å |
| 248 | F | 70.8 | Confident | 58.6 | Low | 168 Ų | 168 | 110.4 Ų | 110.4 | 74% | 0.737 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.9 | -45.6 | 176 | -175.6 | -96.8 | 0 | 0 | 0 | 112.5 | C244 F245 R246 | C244-F248 WeakPolarHBondContact O-CB 3.44Å; C244-F248 PolarHBondContact O-N 3.41Å; F245-F248 PolarHBondContact O-N 3.39Å; R246-F248 VanDerWaalsContact C-N 3.31Å |
| 249 | C | 73.4 | Confident | 57.7 | Low | 75 Ų | 75 | 117.6 Ų | 117.6 | 51% | 0.507 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -76.2 | -24.9 | 178.8 | -67.6 | 0 | 0 | 0 | 0 | 113.2 | F245 | F245-C249 VanDerWaalsContact CE1-SG 3.54Å; F245-C249 VanDerWaalsContact CZ-SG 3.51Å; F245-C249 WeakPolarHBondContact O-CB 3.43Å; F245-C249 PolarHBondContact O-N 3.39Å; F245-C249 PolarHBondContact O-SG 3.22Å; F245-C249 VanDerWaalsContact O-SG 3.39Å |
| 250 | Q | 69.8 | Low | 56.9 | Low | 130 Ų | 130 | 117.9 Ų | 117.9 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -119.7 | 81.1 | 170.5 | -59.1 | 179 | -30.6 | 0 | 0 | 107.2 | R246 E247 S252 | R246-Q250 WeakPolarHBondContact O-CA 3.36Å; R246-Q250 VanDerWaalsContact O-CB 3.26Å; R246-Q250 WeakPolarHBondContact O-CB 3.44Å; R246-Q250 PolarHBondContact O-N 3.46Å; E247-Q250 CarbonylContact O-C 3.55Å; E247-Q250 VanDerWaalsContact O-O 3.06Å; Q250-S252 VanDerWaalsContact C-N 3.28Å; Q250-S252 PolarHBondContact O-N 2.92Å |
| 251 | P | 52.1 | Low | 56.5 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | trans | -60.3 | 99.8 | 169.9 | 24.5 | -30.4 | 0 | 0 | 0 | 106.7 | P253 | P251-P253 WeakPolarHBondContact O-CD 3.5Å; P251-P253 VanDerWaalsContact O-N 3.13Å | ||
| 252 | S | 53.6 | Low | 55.9 | Low | 85 Ų | 85 | 116.5 Ų | 116.5 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | trans | -64.1 | 118.4 | -179.3 | 65.8 | 0 | 0 | 0 | 0 | 107.4 | Q250 F254 | Q250-S252 VanDerWaalsContact C-N 3.28Å; Q250-S252 PolarHBondContact O-N 2.92Å; S252-F254 VanDerWaalsContact C-N 3.26Å; S252-F254 PolarHBondContact O-N 3.12Å | ||
| 253 | P | 54.5 | Low | 55.3 | Low | 120 Ų | 120 | 121.9 Ų | 121.9 | 78% | 0.779 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -75.4 | 91 | 167.7 | 30 | -25.4 | 0 | 0 | 0 | 105.2 | P251 | P251-P253 WeakPolarHBondContact O-CD 3.5Å; P251-P253 VanDerWaalsContact O-N 3.13Å |
| 254 | F | 48 | Very low | 54.8 | Low | 143 Ų | 143 | 121.2 Ų | 121.2 | 63% | 0.627 | 61% | 0.613 | S | S | * | * | trans | 159.3 | 82.8 | 158.4 | -107.1 | -104.4 | 0 | 0 | 0 | 110.7 | S252 D257 | S252-F254 VanDerWaalsContact C-N 3.26Å; S252-F254 PolarHBondContact O-N 3.12Å; F254-D257 HydrophobicContact CD1-CB 3.98Å; F254-D257 HydrophobicContact CE1-CB 3.57Å; F254-D257 WeakPolarHBondContact CE1-OD2 3.29Å; F254-D257 HydrophobicContact CZ-CB 4.43Å; F254-D257 WeakPolarHBondContact CZ-OD2 3.48Å | ||
| 255 | R | 46.6 | Very low | 54.4 | Low | 217 Ų | 217 | 126.7 Ų | 126.7 | 82% | 0.819 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -138.1 | 16.7 | 154.1 | -95.7 | -162.8 | -177.3 | -176.8 | 4.5 | 113.9 | ||
| 256 | L | 45.6 | Very low | 53.9 | Low | 161 Ų | 161 | 124 Ų | 124 | 84% | 0.843 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -92.3 | -18.2 | 170.9 | -99.7 | 134.2 | 0 | 0 | 0 | 113.7 | ||
| 257 | D | 42.4 | Very low | 53.6 | Low | 83 Ų | 83 | 120.5 Ų | 120.5 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -96.8 | -18.4 | -171.3 | -106.9 | -22.7 | 0 | 0 | 0 | 116.4 | F254 Q259 S261 | F254-D257 HydrophobicContact CD1-CB 3.98Å; F254-D257 HydrophobicContact CE1-CB 3.57Å; F254-D257 WeakPolarHBondContact CE1-OD2 3.29Å; F254-D257 HydrophobicContact CZ-CB 4.43Å; F254-D257 WeakPolarHBondContact CZ-OD2 3.48Å; D257-Q259 PolarHBondContact O-N 2.9Å; D257-S261 WeakPolarHBondContact O-CB 3.45Å; D257-S261 PolarHBondContact O-N 3.44Å |
| 258 | T | 44.9 | Very low | 53.2 | Low | 111 Ų | 111 | 118 Ų | 118 | 68% | 0.681 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -79 | -22.3 | -176.2 | -39.3 | 0 | 0 | 0 | 0 | 112.8 | G262 | T258-G262 PolarHBondContact O-N 2.89Å |
| 259 | Q | 42.8 | Very low | 52.5 | Low | 169 Ų | 169 | 119.1 Ų | 119.1 | 79% | 0.79 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -84.9 | -30.1 | 179.3 | -148.4 | 176.4 | 3.9 | 0 | 0 | 112.7 | D257 R263 | D257-Q259 PolarHBondContact O-N 2.9Å; Q259-R263 WeakPolarHBondContact O-CB 3.35Å; Q259-R263 PolarHBondContact O-N 3.21Å |
| 260 | Q | 45.5 | Very low | 51.7 | Low | 130 Ų | 130 | 123.2 Ų | 123.2 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.3 | -40.3 | 173.4 | -87.4 | -174.6 | -15.1 | 0 | 0 | 112.6 | G262 R263 M264 | Q260-G262 PolarHBondContact O-N 2.94Å; Q260-R263 PolarHBondContact O-N 3.08Å; Q260-M264 PolarHBondContact O-N 3.36Å |
| 261 | S | 48.9 | Very low | 50.9 | Low | 51 Ų | 51 | 123 Ų | 123 | 36% | 0.357 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.7 | -38.4 | 179.5 | -171.7 | 0 | 0 | 0 | 0 | 112.8 | D257 R265 | D257-S261 WeakPolarHBondContact O-CB 3.45Å; D257-S261 PolarHBondContact O-N 3.44Å; S261-R265 WeakPolarHBondContact O-CB 3.33Å; S261-R265 WeakPolarHBondContact O-CG 3.23Å; S261-R265 PolarHBondContact O-N 3.36Å |
| 262 | G | 47.4 | Very low | 51.1 | Low | 45 Ų | 45 | 123.8 Ų | 123.8 | 46% | 0.464 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.5 | -37.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T258 Q260 S266 | T258-G262 PolarHBondContact O-N 2.89Å; Q260-G262 PolarHBondContact O-N 2.94Å; G262-S266 WeakPolarHBondContact O-CB 3.29Å; G262-S266 PolarHBondContact O-N 3.03Å |
| 263 | R | 49.9 | Very low | 51 | Low | 186 Ų | 186 | 125.1 Ų | 125.1 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.7 | -43 | 179.9 | -157.8 | 171.9 | 176.3 | -177 | -2.6 | 111.4 | Q259 Q260 S266 I267 | Q259-R263 WeakPolarHBondContact O-CB 3.35Å; Q259-R263 PolarHBondContact O-N 3.21Å; Q260-R263 PolarHBondContact O-N 3.08Å; R263-S266 PolarHBondContact O-N 2.73Å; R263-S266 PolarHBondContact O-OG 3.04Å; R263-I267 HydrophobicContact CG-CD1 4.27Å; R263-I267 WeakPolarHBondContact O-CD1 3.35Å; R263-I267 VanDerWaalsContact O-CG1 3.25Å; R263-I267 WeakPolarHBondContact O-CG1 3.39Å; R263-I267 PolarHBondContact O-N 3.22Å |
| 264 | M | 52.5 | Low | 50.9 | Low | 125 Ų | 125 | 122.6 Ų | 122.6 | 62% | 0.616 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.6 | -41.3 | 173.4 | -78.8 | -173.3 | -57 | 0 | 0 | 112.9 | Q260 S266 I267 A268 | Q260-M264 PolarHBondContact O-N 3.36Å; M264-S266 VanDerWaalsContact C-N 3.3Å; M264-S266 PolarHBondContact O-N 2.84Å; M264-I267 PolarHBondContact O-N 2.86Å; M264-A268 WeakPolarHBondContact O-CB 3.25Å; M264-A268 PolarHBondContact O-N 3.48Å |
| 265 | R | 54.1 | Low | 51 | Low | 181 Ų | 181 | 125.4 Ų | 125.4 | 68% | 0.683 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.1 | -33.8 | 174.3 | -77 | 179.9 | -177.9 | -172.2 | 1.1 | 112.5 | S261 R269 | S261-R265 WeakPolarHBondContact O-CB 3.33Å; S261-R265 WeakPolarHBondContact O-CG 3.23Å; S261-R265 PolarHBondContact O-N 3.36Å; R265-R269 PolarHBondContact O-N 2.8Å; R265-R269 VanDerWaalsContact O-N 3.1Å |
| 266 | S | 55.1 | Low | 51 | Low | 56 Ų | 56 | 118.8 Ų | 118.8 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.6 | -36.4 | 175.2 | 90.6 | 0 | 0 | 0 | 0 | 112.8 | G262 R263 M264 K270 | G262-S266 WeakPolarHBondContact O-CB 3.29Å; G262-S266 PolarHBondContact O-N 3.03Å; R263-S266 PolarHBondContact O-N 2.73Å; R263-S266 PolarHBondContact O-OG 3.04Å; M264-S266 VanDerWaalsContact C-N 3.3Å; M264-S266 PolarHBondContact O-N 2.84Å; S266-K270 WeakPolarHBondContact O-CG 3.36Å; S266-K270 PolarHBondContact O-N 3.06Å |
| 267 | I | 58.9 | Low | 51.2 | Low | 89 Ų | 89 | 116.8 Ų | 116.8 | 46% | 0.456 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.5 | -41.6 | 177 | -67.4 | 164.6 | 0 | 0 | 0 | 110.2 | R263 M264 K270 H271 | R263-I267 HydrophobicContact CG-CD1 4.27Å; R263-I267 WeakPolarHBondContact O-CD1 3.35Å; R263-I267 VanDerWaalsContact O-CG1 3.25Å; R263-I267 WeakPolarHBondContact O-CG1 3.39Å; R263-I267 PolarHBondContact O-N 3.22Å; M264-I267 PolarHBondContact O-N 2.86Å; I267-K270 PolarHBondContact O-N 3.23Å; I267-H271 PolarHBondContact O-N 2.82Å |
| 268 | A | 59.8 | Low | 51.3 | Low | 50 Ų | 50 | 115.5 Ų | 115.5 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.5 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M264 H271 L272 | M264-A268 WeakPolarHBondContact O-CB 3.25Å; M264-A268 PolarHBondContact O-N 3.48Å; A268-H271 PolarHBondContact O-N 3.32Å; A268-L272 PolarHBondContact O-N 2.77Å |
| 269 | R | 56.6 | Low | 51.3 | Low | 191 Ų | 191 | 114.6 Ų | 114.6 | 72% | 0.721 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.1 | -37.9 | 173.8 | -83 | -175.7 | -169.3 | 165.7 | 3.1 | 113 | R265 L272 N273 | R265-R269 PolarHBondContact O-N 2.8Å; R265-R269 VanDerWaalsContact O-N 3.1Å; R269-L272 PolarHBondContact O-N 3.01Å; R269-N273 PolarHBondContact O-N 3.39Å |
| 270 | K | 55.8 | Low | 51.3 | Low | 161 Ų | 161 | 111.3 Ų | 111.3 | 70% | 0.7 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.8 | -39.1 | 175.6 | -79 | -176.7 | 176.8 | -174.6 | 0 | 112.1 | S266 I267 S274 | S266-K270 WeakPolarHBondContact O-CG 3.36Å; S266-K270 PolarHBondContact O-N 3.06Å; I267-K270 PolarHBondContact O-N 3.23Å; K270-S274 PolarHBondContact O-N 3.18Å; K270-S274 VanDerWaalsContact O-N 3.08Å; K270-S274 PolarHBondContact O-OG 3.25Å |
| 271 | H | 54.5 | Low | 51 | Low | 124 Ų | 124 | 115 Ų | 115 | 57% | 0.574 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.6 | -32.7 | 176 | -96.3 | -51.3 | 0 | 0 | 0 | 114.3 | I267 A268 S274 R275 | I267-H271 PolarHBondContact O-N 2.82Å; A268-H271 PolarHBondContact O-N 3.32Å; H271-S274 PolarHBondContact O-OG 3.3Å; H271-R275 PolarHBondContact O-N 3.46Å |
| 272 | L | 56.2 | Low | 50.8 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 63% | 0.634 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.8 | -40.5 | 174.5 | -80.5 | 156 | 0 | 0 | 0 | 111.7 | A268 R269 R275 S276 | A268-L272 PolarHBondContact O-N 2.77Å; R269-L272 PolarHBondContact O-N 3.01Å; L272-R275 PolarHBondContact O-N 3.42Å; L272-S276 PolarHBondContact O-N 2.85Å; L272-S276 VanDerWaalsContact O-N 3.15Å |
| 273 | N | 51.3 | Low | 50.7 | Low | 113 Ų | 113 | 129.9 Ų | 129.9 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.4 | -33.5 | 174.9 | -88.1 | 6.2 | 0 | 0 | 0 | 112.9 | R269 R275 I277 | R269-N273 PolarHBondContact O-N 3.39Å; N273-R275 VanDerWaalsContact C-N 3.34Å; N273-I277 WeakPolarHBondContact O-CG1 3.32Å; N273-I277 PolarHBondContact O-N 2.89Å |
| 274 | S | 51.9 | Low | 50.5 | Low | 67 Ų | 67 | 130 Ų | 130 | 47% | 0.469 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.9 | -27.8 | 175.5 | 69.2 | 0 | 0 | 0 | 0 | 113.1 | K270 H271 | K270-S274 PolarHBondContact O-N 3.18Å; K270-S274 VanDerWaalsContact O-N 3.08Å; K270-S274 PolarHBondContact O-OG 3.25Å; H271-S274 PolarHBondContact O-OG 3.3Å |
| 275 | R | 49.4 | Very low | 49.9 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.6 | -32.7 | 174.9 | -79.5 | -176 | 172.7 | -179.1 | -1.6 | 113.1 | H271 L272 N273 G278 | H271-R275 PolarHBondContact O-N 3.46Å; L272-R275 PolarHBondContact O-N 3.42Å; N273-R275 VanDerWaalsContact C-N 3.34Å; R275-G278 PolarHBondContact O-N 3.49Å |
| 276 | S | 48.2 | Very low | 49.7 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -64.9 | -39.9 | 174.2 | 169.4 | 0 | 0 | 0 | 0 | 112.4 | L272 G278 S279 | L272-S276 PolarHBondContact O-N 2.85Å; L272-S276 VanDerWaalsContact O-N 3.15Å; S276-G278 VanDerWaalsContact C-N 3.29Å; S276-G278 PolarHBondContact O-N 3.27Å; S276-S279 PolarHBondContact O-N 2.99Å |
| 277 | I | 49.4 | Very low | 49.4 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.9 | -26.8 | 178.7 | -62.6 | 166.9 | 0 | 0 | 0 | 111.7 | N273 | N273-I277 WeakPolarHBondContact O-CG1 3.32Å; N273-I277 PolarHBondContact O-N 2.89Å |
| 278 | G | 44.6 | Very low | 48.9 | Very low | 56 Ų | 56 | 139.9 Ų | 139.9 | 58% | 0.577 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78.5 | -16.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R275 S276 | R275-G278 PolarHBondContact O-N 3.49Å; S276-G278 VanDerWaalsContact C-N 3.29Å; S276-G278 PolarHBondContact O-N 3.27Å |
| 279 | S | 43.4 | Very low | 48.2 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -94.6 | -10.5 | 178.6 | 91.4 | 0 | 0 | 0 | 0 | 113.9 | S276 Y281 | S276-S279 PolarHBondContact O-N 2.99Å; S279-Y281 VanDerWaalsContact C-N 3.33Å |
| 280 | S | 43.3 | Very low | 47.7 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -6 | 179.4 | -162 | 0 | 0 | 0 | 0 | 113.9 | ||
| 281 | Y | 40.3 | Very low | 47.2 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 7.5 | 179.5 | -89.2 | -83.2 | 0 | 0 | 0 | 114.5 | S279 | S279-Y281 VanDerWaalsContact C-N 3.33Š|
| 282 | R | 43.3 | Very low | 46.6 | Very low | 222 Ų | 222 | 142.3 Ų | 142.3 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -110.9 | 33.5 | -177.9 | -151.9 | -179 | -82.9 | -148.1 | -4 | 113.5 | ||
| 283 | H | 45.2 | Very low | 45.9 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -139.4 | 17.4 | 173.4 | -103 | -58.4 | 0 | 0 | 0 | 115 | ||
| 284 | Q | 45.9 | Very low | 45.4 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -135.2 | 67.9 | 169.9 | -80.6 | -175.4 | -22.7 | 0 | 0 | 110.5 | ||||
| 285 | I | 40.3 | Very low | 44.9 | Very low | 240 Ų | 240 | 153.7 Ų | 153.7 | 100% | 1.231 | 77% | 0.769 | S | S | * | * | trans | -145 | 0 | 146.5 | -50.2 | -178.5 | 0 | 0 | 0 | 106.4 |
Retrieved 285 of 285 residues in 211.4 ms
(Link to these results)