| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.9 | Very low | 60.8 | Low | 146 Ų | 146 | 78.6 Ų | 78.6 | 72% | 0.719 | 43% | 0.431 | S | S | * | . | 0 | -42.7 | 0 | -68.1 | 179.9 | -171.8 | 0 | 0 | 111.9 | D3 F4 H5 A11 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.05Å; M1-F4 PolarHBondContact O-N 2.85Å; M1-H5 PolarHBondContact O-N 3.48Å; M1-H5 VanDerWaalsContact O-N 3.12Å; M1-A11 HydrophobicContact CE-CB 3.81Å; M1-A11 HydrophobicContact CG-CB 4.38Å | |||
| 2 | S | 49.7 | Very low | 61.6 | Low | 98 Ų | 98 | 74.6 Ų | 74.6 | 69% | 0.685 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -41.7 | 178.7 | 50 | 0 | 0 | 0 | 0 | 114.5 | F4 | S2-F4 VanDerWaalsContact C-N 3.26Å; S2-F4 PolarHBondContact O-N 2.89Å |
| 3 | D | 58.7 | Low | 63.2 | Low | 98 Ų | 98 | 72.2 Ų | 72.2 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.6 | -171.5 | -63.3 | 5.8 | 0 | 0 | 0 | 113.7 | M1 W129 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.05Å; D3-W129 PolarHBondContact OD2-NE1 3.26Å; D3-W129 VanDerWaalsContact OD2-NE1 3.11Å |
| 4 | F | 62.5 | Low | 64.7 | Low | 56 Ų | 56 | 68.5 Ų | 68.5 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | 3 | -169.4 | -65.2 | -85.5 | 0 | 0 | 0 | 115.3 | M1 S2 L6 F62 W129 | M1-F4 PolarHBondContact O-N 2.85Å; S2-F4 VanDerWaalsContact C-N 3.26Å; S2-F4 PolarHBondContact O-N 2.89Å; F4-L6 HydrophobicContact CB-CD1 4.48Å; F4-L6 HydrophobicContact CB-CG 4.12Å; F4-L6 PolarHBondContact O-N 3.31Å; F4-F62 HydrophobicContact CB-CD2 3.57Å; F4-F62 HydrophobicContact CB-CE2 3.51Å; F4-F62 AromaticContact CD1-CD2 3.75Å; F4-F62 HydrophobicContact CD1-CD2 3.75Å; F4-F62 HydrophobicContact CD1-CE2 4.24Å; F4-F62 AromaticContact CD2-CD2 3.56Å; F4-F62 HydrophobicContact CD2-CD2 3.56Å; F4-F62 AromaticContact CD2-CE2 3.19Å; F4-F62 HydrophobicContact CD2-CE2 3.19Å; F4-F62 HydrophobicContact CD2-CZ 4.35Å; F4-F62 HydrophobicContact CE1-CD2 4.24Å; F4-F62 HydrophobicContact CE2-CD2 4.04Å; F4-F62 AromaticContact CE2-CE2 3.83Å; F4-F62 HydrophobicContact CE2-CE2 3.83Å; F4-F62 AromaticContact CG-CD2 3.35Å; F4-F62 HydrophobicContact CG-CD2 3.35Å; F4-F62 AromaticContact CG-CE2 3.4Å; F4-F62 HydrophobicContact CG-CE2 3.4Å; F4-F62 HydrophobicContact CZ-CD2 4.36Å; F4-W129 HydrophobicContact CE2-CZ2 4.18Å |
| 5 | H | 61.3 | Low | 65.6 | Low | 180 Ų | 180 | 68.7 Ų | 68.7 | 83% | 0.833 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 44.1 | 176.2 | -57.8 | -73.9 | 0 | 0 | 0 | 115.2 | M1 | M1-H5 PolarHBondContact O-N 3.48Å; M1-H5 VanDerWaalsContact O-N 3.12Å |
| 6 | L | 63 | Low | 66.7 | Low | 42 Ų | 42 | 64.5 Ų | 64.5 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | trans | -90.9 | 157.3 | -176.4 | -67.5 | -179.9 | 0 | 0 | 0 | 114.4 | F4 E10 F62 | F4-L6 HydrophobicContact CB-CD1 4.48Å; F4-L6 HydrophobicContact CB-CG 4.12Å; F4-L6 PolarHBondContact O-N 3.31Å; L6-E10 HydrophobicContact CB-CB 4.1Å; L6-E10 HydrophobicContact CD1-CB 4.18Å; L6-E10 HydrophobicContact CD2-CB 4.08Å; L6-E10 WeakPolarHBondContact CD2-OE2 3.33Å; L6-E10 HydrophobicContact CG-CB 4.37Å; L6-F62 HydrophobicContact CD1-CB 4.45Å; L6-F62 HydrophobicContact CD1-CD1 3.61Å; L6-F62 HydrophobicContact CD1-CD2 3.37Å; L6-F62 HydrophobicContact CD1-CE1 3.5Å; L6-F62 HydrophobicContact CD1-CE2 3.22Å; L6-F62 HydrophobicContact CD1-CG 3.55Å; L6-F62 HydrophobicContact CD1-CZ 3.31Å; L6-F62 HydrophobicContact CG-CD2 4.19Å; L6-F62 HydrophobicContact CG-CE2 4.15Å | ||
| 7 | S | 63.8 | Low | 67.8 | Low | 53 Ų | 53 | 63.1 Ų | 63.1 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | trans | -69.3 | 160.3 | 164.6 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | V9 E10 A11 | S7-V9 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 3.37Å; S7-E10 PolarHBondContact N-OE2 3.32Å; S7-E10 PolarHBondContact O-N 2.69Å; S7-E10 WeakPolarHBondContact OG-CB 3.48Å; S7-E10 VanDerWaalsContact OG-CD 3.24Å; S7-E10 VanDerWaalsContact OG-CG 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.44Å; S7-E10 PolarHBondContact OG-N 3.03Å; S7-E10 PolarHBondContact OG-OE2 2.8Å; S7-A11 PolarHBondContact O-N 3.37Å | ||
| 8 | S | 62.9 | Low | 69 | Low | 42 Ų | 42 | 62.6 Ų | 62.6 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53.8 | -43.9 | 173.3 | 39.8 | 0 | 0 | 0 | 0 | 112.5 | A11 A12 D493 | S8-A11 PolarHBondContact O-N 3.26Å; S8-A12 WeakPolarHBondContact O-CB 3.39Å; S8-A12 PolarHBondContact O-N 3.34Å; S8-D493 WeakPolarHBondContact CB-OD1 3.3Å; S8-D493 VanDerWaalsContact OG-CG 3.31Å; S8-D493 PolarHBondContact OG-OD1 3.03Å; S8-D493 PolarHBondContact OG-OD2 2.87Å |
| 9 | V | 61.9 | Low | 69.8 | Low | 43 Ų | 43 | 62.2 Ų | 62.2 | 26% | 0.261 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 178.2 | 167.8 | 0 | 0 | 0 | 0 | 111.8 | S7 A11 A12 I13 D493 | S7-V9 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 3.37Å; V9-A11 VanDerWaalsContact C-N 3.26Å; V9-A11 PolarHBondContact O-N 3.22Å; V9-A12 PolarHBondContact O-N 3.06Å; V9-A12 VanDerWaalsContact O-N 3.11Å; V9-I13 HydrophobicContact CG1-CD1 4.18Å; V9-I13 WeakPolarHBondContact O-CG1 3.45Å; V9-I13 PolarHBondContact O-N 3.42Å; V9-D493 WeakPolarHBondContact CG2-OD2 3.44Å |
| 10 | E | 68.4 | Low | 70.8 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 177.7 | -73 | 165.2 | 149.5 | 0 | 0 | 111.8 | L6 S7 Y66 | L6-E10 HydrophobicContact CB-CB 4.1Å; L6-E10 HydrophobicContact CD1-CB 4.18Å; L6-E10 HydrophobicContact CD2-CB 4.08Å; L6-E10 WeakPolarHBondContact CD2-OE2 3.33Å; L6-E10 HydrophobicContact CG-CB 4.37Å; S7-E10 PolarHBondContact N-OE2 3.32Å; S7-E10 PolarHBondContact O-N 2.69Å; S7-E10 WeakPolarHBondContact OG-CB 3.48Å; S7-E10 VanDerWaalsContact OG-CD 3.24Å; S7-E10 VanDerWaalsContact OG-CG 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.44Å; S7-E10 PolarHBondContact OG-N 3.03Å; S7-E10 PolarHBondContact OG-OE2 2.8Å; E10-Y66 PolarHBondContact O-OH 2.88Å |
| 11 | A | 68.1 | Low | 71.9 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 21% | 0.207 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 S7 S8 V9 P15 | M1-A11 HydrophobicContact CE-CB 3.81Å; M1-A11 HydrophobicContact CG-CB 4.38Å; S7-A11 PolarHBondContact O-N 3.37Å; S8-A11 PolarHBondContact O-N 3.26Å; V9-A11 VanDerWaalsContact C-N 3.26Å; V9-A11 PolarHBondContact O-N 3.22Å; A11-P15 WeakPolarHBondContact O-CD 3.39Å |
| 12 | A | 70.6 | Confident | 74 | Confident | 30 Ų | 30 | 51 Ų | 51 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.4 | -24 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | S8 V9 L14 P15 G16 | S8-A12 WeakPolarHBondContact O-CB 3.39Å; S8-A12 PolarHBondContact O-N 3.34Å; V9-A12 PolarHBondContact O-N 3.06Å; V9-A12 VanDerWaalsContact O-N 3.11Å; A12-L14 VanDerWaalsContact C-N 3.27Å; A12-L14 PolarHBondContact O-N 3.19Å; A12-P15 WeakPolarHBondContact O-CD 3.25Å; A12-G16 PolarHBondContact O-N 3.46Å; A12-G16 VanDerWaalsContact O-N 3.11Å |
| 13 | I | 81.9 | Confident | 76.2 | Confident | 43 Ų | 43 | 47 Ų | 47 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 177.6 | -76.2 | 164.1 | 0 | 0 | 0 | 111.3 | V9 G16 M17 Y66 | V9-I13 HydrophobicContact CG1-CD1 4.18Å; V9-I13 WeakPolarHBondContact O-CG1 3.45Å; V9-I13 PolarHBondContact O-N 3.42Å; I13-G16 CarbonylContact O-C 3.59Å; I13-G16 PolarHBondContact O-N 3.5Å; I13-M17 HydrophobicContact CG2-CE 3.58Å; I13-M17 HydrophobicContact CG2-CG 4.11Å; I13-M17 HydrophobicContact CG2-SD 3.89Å; I13-M17 WeakPolarHBondContact O-CB 3.4Å; I13-M17 WeakPolarHBondContact O-CG 3.44Å; I13-M17 PolarHBondContact O-N 3.11Å; I13-Y66 HydrophobicContact CB-CE1 4.04Å; I13-Y66 HydrophobicContact CG2-CD1 4.1Å; I13-Y66 HydrophobicContact CG2-CE1 3.64Å |
| 14 | L | 83.6 | Confident | 77.8 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -53 | -174.7 | 179 | 65.8 | 0 | 0 | 0 | 112.4 | A12 G16 M17 I18 F62 L65 Y66 L69 | A12-L14 VanDerWaalsContact C-N 3.27Å; A12-L14 PolarHBondContact O-N 3.19Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 2.97Å; L14-M17 WeakPolarHBondContact O-CB 3.34Å; L14-M17 PolarHBondContact O-N 2.84Å; L14-M17 VanDerWaalsContact O-N 3.16Å; L14-I18 HydrophobicContact CG-CD1 4.32Å; L14-I18 WeakPolarHBondContact O-CG1 3.42Å; L14-I18 PolarHBondContact O-N 3.48Å; L14-F62 HydrophobicContact CD2-CE1 4.31Å; L14-L65 HydrophobicContact CD2-CB 4.29Å; L14-Y66 HydrophobicContact CB-CD1 4.13Å; L14-Y66 HydrophobicContact CB-CE1 3.87Å; L14-Y66 HydrophobicContact CD1-CD1 4.03Å; L14-L69 HydrophobicContact CD1-CB 4.28Å; L14-L69 HydrophobicContact CD2-CD2 4.3Å |
| 15 | P | 78.9 | Confident | 79.3 | Confident | 71 Ų | 71 | 45.7 Ų | 45.7 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.6 | -39.8 | 170.3 | -24.8 | 33.1 | 0 | 0 | 0 | 113 | A11 A12 M17 I18 F19 | A11-P15 WeakPolarHBondContact O-CD 3.39Å; A12-P15 WeakPolarHBondContact O-CD 3.25Å; P15-M17 VanDerWaalsContact C-N 3.33Å; P15-M17 PolarHBondContact O-N 3.16Å; P15-I18 PolarHBondContact O-N 2.91Å; P15-F19 PolarHBondContact O-N 3.07Å |
| 16 | G | 82.3 | Confident | 81 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A12 I13 L14 F19 S20 | A12-G16 PolarHBondContact O-N 3.46Å; A12-G16 VanDerWaalsContact O-N 3.11Å; I13-G16 CarbonylContact O-C 3.59Å; I13-G16 PolarHBondContact O-N 3.5Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 2.97Å; G16-F19 PolarHBondContact O-N 3.24Å; G16-S20 VanDerWaalsContact O-CB 3.27Å; G16-S20 WeakPolarHBondContact O-CB 3.49Å; G16-S20 PolarHBondContact O-N 2.85Å; G16-S20 PolarHBondContact O-OG 3.08Å |
| 17 | M | 86.8 | Confident | 82.5 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 20% | 0.197 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -47 | 175.7 | -76.6 | 179.8 | 171.7 | 0 | 0 | 111.9 | I13 L14 P15 F19 S20 M21 Y66 | I13-M17 HydrophobicContact CG2-CE 3.58Å; I13-M17 HydrophobicContact CG2-CG 4.11Å; I13-M17 HydrophobicContact CG2-SD 3.89Å; I13-M17 WeakPolarHBondContact O-CB 3.4Å; I13-M17 WeakPolarHBondContact O-CG 3.44Å; I13-M17 PolarHBondContact O-N 3.11Å; L14-M17 WeakPolarHBondContact O-CB 3.34Å; L14-M17 PolarHBondContact O-N 2.84Å; L14-M17 VanDerWaalsContact O-N 3.16Å; P15-M17 VanDerWaalsContact C-N 3.33Å; P15-M17 PolarHBondContact O-N 3.16Å; M17-F19 PolarHBondContact O-N 2.79Å; M17-F19 VanDerWaalsContact O-N 3.14Å; M17-S20 PolarHBondContact O-N 3.38Å; M17-M21 HydrophobicContact CB-CG 4.03Å; M17-M21 HydrophobicContact CG-CG 4.27Å; M17-M21 WeakPolarHBondContact O-CB 3.31Å; M17-M21 WeakPolarHBondContact O-CG 3.46Å; M17-M21 PolarHBondContact O-N 3.09Å; M17-Y66 HydrophobicContact SD-CD1 3.86Å; M17-Y66 HydrophobicContact SD-CG 4.28Å |
| 18 | I | 88.7 | Confident | 84 | Confident | 55 Ų | 55 | 38.1 Ų | 38.1 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.3 | -33.3 | -179.8 | -66.5 | 166.2 | 0 | 0 | 0 | 111.5 | L14 P15 P22 L69 | L14-I18 HydrophobicContact CG-CD1 4.32Å; L14-I18 WeakPolarHBondContact O-CG1 3.42Å; L14-I18 PolarHBondContact O-N 3.48Å; P15-I18 PolarHBondContact O-N 2.91Å; I18-P22 VanDerWaalsContact O-CD 3.22Å; I18-P22 WeakPolarHBondContact O-CD 3.28Å; I18-P22 WeakPolarHBondContact O-CG 3.21Å; I18-L69 HydrophobicContact CD1-CD2 4.06Å; I18-L69 HydrophobicContact CD1-CG 3.87Å; I18-L69 HydrophobicContact CG1-CG 4.35Å |
| 19 | F | 84.8 | Confident | 85.6 | Confident | 55 Ų | 55 | 36.8 Ų | 36.8 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -89.9 | -38 | 179.6 | -171.7 | -102.9 | 0 | 0 | 0 | 114.3 | P15 G16 M17 V292 Y450 N481 | P15-F19 PolarHBondContact O-N 3.07Å; G16-F19 PolarHBondContact O-N 3.24Å; M17-F19 PolarHBondContact O-N 2.79Å; M17-F19 VanDerWaalsContact O-N 3.14Å; F19-V292 HydrophobicContact CD1-CG2 3.58Å; F19-V292 HydrophobicContact CE1-CB 4.13Å; F19-V292 HydrophobicContact CE1-CG2 3.63Å; F19-V292 HydrophobicContact CG-CG2 4.47Å; F19-Y450 VanDerWaalsContact CZ-OH 3.29Å; F19-Y450 WeakPolarHBondContact CZ-OH 3.39Å; F19-N481 HydrophobicContact CD1-CB 4.1Å; F19-N481 HydrophobicContact CE1-CB 4.11Å; F19-N481 WeakPolarHBondContact CE1-ND2 3.43Å |
| 20 | S | 89.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -88.2 | -39.4 | -173.8 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | G16 M17 P22 Q23 F24 G478 | G16-S20 VanDerWaalsContact O-CB 3.27Å; G16-S20 WeakPolarHBondContact O-CB 3.49Å; G16-S20 PolarHBondContact O-N 2.85Å; G16-S20 PolarHBondContact O-OG 3.08Å; M17-S20 PolarHBondContact O-N 3.38Å; S20-P22 VanDerWaalsContact C-CD 3.44Å; S20-Q23 PolarHBondContact O-N 3.39Å; S20-F24 PolarHBondContact O-N 3.12Å; S20-F24 VanDerWaalsContact O-N 3.11Å; S20-G478 WeakPolarHBondContact CB-O 3.33Å |
| 21 | M | 92.5 | Very high | 88.4 | Confident | 30 Ų | 30 | 30.8 Ų | 30.8 | 15% | 0.148 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.6 | -37.9 | -177.4 | -68.2 | -65.3 | 130.9 | 0 | 0 | 113.5 | M17 Q23 F24 F25 L482 | M17-M21 HydrophobicContact CB-CG 4.03Å; M17-M21 HydrophobicContact CG-CG 4.27Å; M17-M21 WeakPolarHBondContact O-CB 3.31Å; M17-M21 WeakPolarHBondContact O-CG 3.46Å; M17-M21 PolarHBondContact O-N 3.09Å; M21-Q23 VanDerWaalsContact C-N 3.29Å; M21-Q23 PolarHBondContact O-N 3.2Å; M21-F24 WeakPolarHBondContact O-CB 3.22Å; M21-F24 PolarHBondContact O-N 2.99Å; M21-F25 HydrophobicContact CB-CE2 4.29Å; M21-F25 WeakPolarHBondContact O-CD2 3.48Å; M21-F25 PolarHBondContact O-N 2.7Å; M21-L482 HydrophobicContact CE-CD2 3.89Å |
| 22 | P | 93.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.6 | -51.5 | 175.9 | -24.9 | 33.1 | 0 | 0 | 0 | 110.9 | I18 S20 F24 F25 S74 L77 Q78 | I18-P22 VanDerWaalsContact O-CD 3.22Å; I18-P22 WeakPolarHBondContact O-CD 3.28Å; I18-P22 WeakPolarHBondContact O-CG 3.21Å; S20-P22 VanDerWaalsContact C-CD 3.44Å; P22-F24 VanDerWaalsContact C-N 3.32Å; P22-F24 PolarHBondContact O-N 3.47Å; P22-F25 PolarHBondContact O-N 3.25Å; P22-S74 WeakPolarHBondContact CA-O 3.17Å; P22-L77 HydrophobicContact CB-CD2 3.9Å; P22-L77 HydrophobicContact CG-CB 4.43Å; P22-L77 HydrophobicContact CG-CD2 3.97Å; P22-Q78 VanDerWaalsContact C-CD 3.44Å; P22-Q78 HydrophobicContact CB-CB 3.81Å; P22-Q78 HydrophobicContact CB-CG 4.47Å; P22-Q78 VanDerWaalsContact O-CB 3.29Å; P22-Q78 WeakPolarHBondContact O-CB 2.99Å; P22-Q78 WeakPolarHBondContact O-CG 3.13Å; P22-Q78 PolarHBondContact O-OE1 3.3Å; P22-Q78 VanDerWaalsContact O-OE1 3.13Å |
| 23 | Q | 94.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.2 | -33.3 | -175.9 | -53.3 | 178.8 | 26.3 | 0 | 0 | 112.2 | S20 M21 F25 A26 L474 T475 N477 N481 | S20-Q23 PolarHBondContact O-N 3.39Å; M21-Q23 VanDerWaalsContact C-N 3.29Å; M21-Q23 PolarHBondContact O-N 3.2Å; Q23-F25 VanDerWaalsContact C-N 3.28Å; Q23-F25 PolarHBondContact O-N 2.9Å; Q23-A26 WeakPolarHBondContact O-CB 3.43Å; Q23-A26 PolarHBondContact O-N 3Å; Q23-A26 VanDerWaalsContact O-N 3.16Å; Q23-L474 HydrophobicContact CB-CB 4.26Å; Q23-L474 VanDerWaalsContact CB-O 3.29Å; Q23-L474 WeakPolarHBondContact CB-O 3.09Å; Q23-L474 CarbonylContact O-C 3.59Å; Q23-T475 WeakPolarHBondContact O-CA 3.23Å; Q23-T475 PolarHBondContact O-N 2.81Å; Q23-N477 PolarHBondContact OE1-ND2 3.14Å; Q23-N481 PolarHBondContact NE2-ND2 2.75Å; Q23-N481 PolarHBondContact OE1-ND2 3.12Å; Q23-N481 VanDerWaalsContact OE1-ND2 3.12Å |
| 24 | F | 92.8 | Very high | 90.7 | Very high | 80 Ų | 80 | 29.2 Ų | 29.2 | 35% | 0.351 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.5 | -35.5 | 174.8 | -176.9 | -96.2 | 0 | 0 | 0 | 113 | S20 M21 P22 A26 P27 T475 | S20-F24 PolarHBondContact O-N 3.12Å; S20-F24 VanDerWaalsContact O-N 3.11Å; M21-F24 WeakPolarHBondContact O-CB 3.22Å; M21-F24 PolarHBondContact O-N 2.99Å; P22-F24 VanDerWaalsContact C-N 3.32Å; P22-F24 PolarHBondContact O-N 3.47Å; F24-A26 VanDerWaalsContact C-N 3.31Å; F24-A26 PolarHBondContact O-N 3.35Å; F24-P27 WeakPolarHBondContact O-CD 3.48Å; F24-T475 HydrophobicContact CD2-CG2 4.25Å |
| 25 | F | 94.6 | Very high | 90.7 | Very high | 46 Ų | 46 | 29.1 Ų | 29.1 | 20% | 0.202 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4.5 | 179 | -69.5 | -65.9 | 0 | 0 | 0 | 114.3 | M21 P22 Q23 P27 F28 L29 I71 I75 | M21-F25 HydrophobicContact CB-CE2 4.29Å; M21-F25 WeakPolarHBondContact O-CD2 3.48Å; M21-F25 PolarHBondContact O-N 2.7Å; P22-F25 PolarHBondContact O-N 3.25Å; Q23-F25 VanDerWaalsContact C-N 3.28Å; Q23-F25 PolarHBondContact O-N 2.9Å; F25-P27 WeakPolarHBondContact O-CD 3.2Å; F25-F28 PolarHBondContact O-N 3.18Å; F25-L29 HydrophobicContact CB-CD1 3.86Å; F25-L29 HydrophobicContact CB-CG 4.28Å; F25-L29 WeakPolarHBondContact O-CG 3.42Å; F25-L29 PolarHBondContact O-N 2.9Å; F25-L29 VanDerWaalsContact O-N 3.1Å; F25-I71 HydrophobicContact CE2-CG2 4.13Å; F25-I71 HydrophobicContact CZ-CG2 4.07Å; F25-I75 HydrophobicContact CD1-CG1 4.42Å; F25-I75 HydrophobicContact CD2-CD1 4.31Å; F25-I75 HydrophobicContact CD2-CG1 3.43Å; F25-I75 VanDerWaalsContact CD2-CG1 3.43Å; F25-I75 HydrophobicContact CE1-CD1 4.43Å; F25-I75 HydrophobicContact CE1-CG1 4.47Å; F25-I75 HydrophobicContact CE2-CD1 3.97Å; F25-I75 HydrophobicContact CE2-CG1 3.5Å; F25-I75 HydrophobicContact CG-CG1 3.93Å; F25-I75 HydrophobicContact CZ-CD1 4.04Å; F25-I75 HydrophobicContact CZ-CG1 4.05Å |
| 26 | A | 96.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.4 | -37.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q23 F24 F28 L29 C30 L82 L474 | Q23-A26 WeakPolarHBondContact O-CB 3.43Å; Q23-A26 PolarHBondContact O-N 3Å; Q23-A26 VanDerWaalsContact O-N 3.16Å; F24-A26 VanDerWaalsContact C-N 3.31Å; F24-A26 PolarHBondContact O-N 3.35Å; A26-F28 PolarHBondContact O-N 3.44Å; A26-L29 PolarHBondContact O-N 3.5Å; A26-C30 WeakPolarHBondContact O-CB 3.22Å; A26-C30 PolarHBondContact O-N 3.36Å; A26-C30 PolarHBondContact O-SG 3.29Å; A26-L82 HydrophobicContact CB-CD1 4.35Å; A26-L474 HydrophobicContact CB-CB 3.56Å; A26-L474 HydrophobicContact CB-CD1 3.96Å; A26-L474 HydrophobicContact CB-CG 4.42Å |
| 27 | P | 95.4 | Very high | 90.7 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 8% | 0.084 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73.3 | -19.8 | -175.5 | 34 | -32.2 | 0 | 0 | 0 | 111.1 | F24 F25 P31 L266 T475 | F24-P27 WeakPolarHBondContact O-CD 3.48Å; F25-P27 WeakPolarHBondContact O-CD 3.2Å; P27-P31 WeakPolarHBondContact O-CD 3.25Å; P27-P31 VanDerWaalsContact O-CG 3.26Å; P27-P31 WeakPolarHBondContact O-CG 2.99Å; P27-L266 HydrophobicContact CB-CD1 4.39Å; P27-L266 HydrophobicContact CB-CD2 4.1Å; P27-L266 VanDerWaalsContact O-CD1 3.23Å; P27-L266 WeakPolarHBondContact O-CD1 3.13Å; P27-T475 WeakPolarHBondContact CD-OG1 3.37Å; P27-T475 HydrophobicContact CG-CG2 4.13Å; P27-T475 WeakPolarHBondContact CG-OG1 3.4Å |
| 28 | F | 94.6 | Very high | 90.7 | Very high | 104 Ų | 104 | 25.4 Ų | 25.4 | 46% | 0.456 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -86.8 | -39.4 | 173 | -58.1 | -78.2 | 0 | 0 | 0 | 111.3 | F25 A26 L32 F263 | F25-F28 PolarHBondContact O-N 3.18Å; A26-F28 PolarHBondContact O-N 3.44Å; F28-L32 WeakPolarHBondContact O-CB 3.44Å; F28-L32 PolarHBondContact O-N 3.47Å; F28-F263 AromaticContact CD1-CE2 3.75Å; F28-F263 HydrophobicContact CD1-CE2 3.75Å; F28-F263 HydrophobicContact CD1-CZ 4.29Å; F28-F263 AromaticContact CE1-CE2 3.98Å; F28-F263 HydrophobicContact CE1-CE2 3.98Å; F28-F263 HydrophobicContact CE1-CZ 4.06Å |
| 29 | L | 95.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.068 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -77 | -33.9 | -175.2 | -63.9 | 177.2 | 0 | 0 | 0 | 113.2 | F25 A26 L32 L33 Q78 L79 L82 | F25-L29 HydrophobicContact CB-CD1 3.86Å; F25-L29 HydrophobicContact CB-CG 4.28Å; F25-L29 WeakPolarHBondContact O-CG 3.42Å; F25-L29 PolarHBondContact O-N 2.9Å; F25-L29 VanDerWaalsContact O-N 3.1Å; A26-L29 PolarHBondContact O-N 3.5Å; L29-L32 HydrophobicContact CD2-CD2 4.1Å; L29-L32 WeakPolarHBondContact O-CB 3.07Å; L29-L32 PolarHBondContact O-N 3.41Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 2.96Å; L29-Q78 HydrophobicContact CD1-CB 3.68Å; L29-Q78 HydrophobicContact CD1-CG 3.65Å; L29-L79 HydrophobicContact CD1-CD1 4.47Å; L29-L79 HydrophobicContact CD1-CG 4.06Å; L29-L79 HydrophobicContact CD2-CD1 3.9Å; L29-L79 HydrophobicContact CD2-CD2 4.2Å; L29-L79 HydrophobicContact CD2-CG 3.8Å; L29-L79 HydrophobicContact CG-CG 4.43Å; L29-L82 HydrophobicContact CB-CD1 3.72Å |
| 30 | C | 96 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.5 | -55 | 176 | -78.5 | 0 | 0 | 0 | 0 | 112.4 | A26 L32 L33 D34 M86 S467 | A26-C30 WeakPolarHBondContact O-CB 3.22Å; A26-C30 PolarHBondContact O-N 3.36Å; A26-C30 PolarHBondContact O-SG 3.29Å; C30-L32 PolarHBondContact O-N 3.18Å; C30-L33 PolarHBondContact O-N 3.49Å; C30-L33 VanDerWaalsContact O-N 3.15Å; C30-D34 PolarHBondContact O-N 3.21Å; C30-M86 HydrophobicContact CB-CE 4.46Å; C30-M86 HydrophobicContact CB-SD 4.49Å; C30-S467 WeakPolarHBondContact CB-OG 3.46Å |
| 31 | P | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -32.9 | 174.3 | -24.1 | 33.8 | 0 | 0 | 0 | 113.8 | P27 T35 F259 N262 F263 L266 | P27-P31 WeakPolarHBondContact O-CD 3.25Å; P27-P31 VanDerWaalsContact O-CG 3.26Å; P27-P31 WeakPolarHBondContact O-CG 2.99Å; P31-T35 WeakPolarHBondContact O-CB 3.48Å; P31-T35 PolarHBondContact O-N 3.49Å; P31-T35 PolarHBondContact O-OG1 2.82Å; P31-F259 HydrophobicContact CB-CD2 4.36Å; P31-F259 HydrophobicContact CB-CE2 4.1Å; P31-N262 HydrophobicContact CB-CB 3.87Å; P31-F263 HydrophobicContact CB-CB 4.44Å; P31-F263 HydrophobicContact CG-CD2 4.25Å; P31-L266 HydrophobicContact CG-CD1 3.94Å; P31-L266 HydrophobicContact CG-CG 4.32Å |
| 32 | L | 91 | Very high | 90.4 | Very high | 34 Ų | 34 | 19.1 Ų | 19.1 | 18% | 0.178 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 175.2 | -177.5 | 64.9 | 0 | 0 | 0 | 110 | F28 L29 C30 T35 Y36 F255 F259 | F28-L32 WeakPolarHBondContact O-CB 3.44Å; F28-L32 PolarHBondContact O-N 3.47Å; L29-L32 HydrophobicContact CD2-CD2 4.1Å; L29-L32 WeakPolarHBondContact O-CB 3.07Å; L29-L32 PolarHBondContact O-N 3.41Å; C30-L32 PolarHBondContact O-N 3.18Å; L32-T35 PolarHBondContact O-N 2.62Å; L32-T35 VanDerWaalsContact O-N 3.17Å; L32-Y36 WeakPolarHBondContact O-CB 3.28Å; L32-Y36 PolarHBondContact O-N 3.37Å; L32-F255 HydrophobicContact CD1-CZ 4.25Å; L32-F259 HydrophobicContact CB-CE2 4.16Å; L32-F259 HydrophobicContact CD1-CE2 4.45Å |
| 33 | L | 91.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 178.3 | -69.1 | 172 | 0 | 0 | 0 | 112.9 | L29 C30 T35 Y36 G37 F38 L79 L82 S83 M86 | L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 2.96Å; C30-L33 PolarHBondContact O-N 3.49Å; C30-L33 VanDerWaalsContact O-N 3.15Å; L33-T35 PolarHBondContact O-N 3.24Å; L33-Y36 PolarHBondContact O-N 3.01Å; L33-G37 WeakPolarHBondContact O-CA 3.46Å; L33-G37 PolarHBondContact O-N 3.19Å; L33-F38 HydrophobicContact CB-CD1 4.25Å; L33-F38 HydrophobicContact CB-CE1 4.38Å; L33-L79 HydrophobicContact CD2-CD2 4.29Å; L33-L82 HydrophobicContact CD1-CB 3.36Å; L33-L82 HydrophobicContact CD1-CD1 4.31Å; L33-L82 HydrophobicContact CD1-CG 4.48Å; L33-S83 VanDerWaalsContact CD2-OG 3.3Å; L33-S83 WeakPolarHBondContact CD2-OG 3.3Å; L33-M86 HydrophobicContact CB-CE 4.26Å; L33-M86 HydrophobicContact CB-SD 4.02Å; L33-M86 HydrophobicContact CD1-SD 3.62Å; L33-M86 HydrophobicContact CG-SD 4.47Å |
| 34 | D | 88.2 | Confident | 90.2 | Very high | 29 Ų | 29 | 21.8 Ų | 21.8 | 16% | 0.155 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.6 | -22.5 | 174.9 | -71.2 | -30.3 | 0 | 0 | 0 | 113 | C30 M86 L157 N262 S467 | C30-D34 PolarHBondContact O-N 3.21Å; D34-M86 WeakPolarHBondContact OD1-CE 3.26Å; D34-L157 WeakPolarHBondContact O-CD2 3.21Å; D34-N262 HydrophobicContact CB-CB 4.46Å; D34-S467 WeakPolarHBondContact OD2-CB 3.34Å; D34-S467 PolarHBondContact OD2-OG 3.11Å |
| 35 | T | 83.7 | Confident | 90.2 | Very high | 19 Ų | 19 | 18 Ų | 18 | 12% | 0.117 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -94 | -38.9 | 178.2 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | P31 L32 L33 F255 E258 F259 N262 | P31-T35 WeakPolarHBondContact O-CB 3.48Å; P31-T35 PolarHBondContact O-N 3.49Å; P31-T35 PolarHBondContact O-OG1 2.82Å; L32-T35 PolarHBondContact O-N 2.62Å; L32-T35 VanDerWaalsContact O-N 3.17Å; L33-T35 PolarHBondContact O-N 3.24Å; T35-F255 HydrophobicContact CG2-CD2 3.55Å; T35-F255 HydrophobicContact CG2-CE2 3.68Å; T35-F255 HydrophobicContact CG2-CG 4.47Å; T35-E258 HydrophobicContact CG2-CB 4.02Å; T35-E258 HydrophobicContact CG2-CG 4.22Å; T35-F259 HydrophobicContact CG2-CB 4.13Å; T35-F259 WeakPolarHBondContact OG1-CA 3.3Å; T35-N262 PolarHBondContact OG1-ND2 3.26Å; T35-N262 VanDerWaalsContact OG1-ND2 3.13Å |
| 36 | Y | 76.1 | Confident | 90.2 | Very high | 22 Ų | 22 | 15.8 Ų | 15.8 | 9% | 0.086 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -107 | -16.4 | -161.2 | -168.5 | -115.1 | 0 | 0 | 0 | 113.8 | L32 L33 S40 L200 C201 S204 | L32-Y36 WeakPolarHBondContact O-CB 3.28Å; L32-Y36 PolarHBondContact O-N 3.37Å; L33-Y36 PolarHBondContact O-N 3.01Å; Y36-S40 VanDerWaalsContact CZ-CB 3.42Å; Y36-S40 WeakPolarHBondContact OH-CB 3.36Å; Y36-S40 PolarHBondContact OH-OG 3.2Å; Y36-L200 HydrophobicContact CD1-CB 4.35Å; Y36-L200 HydrophobicContact CD2-CB 4.12Å; Y36-L200 HydrophobicContact CE1-CB 3.77Å; Y36-L200 WeakPolarHBondContact CE1-O 3.39Å; Y36-L200 HydrophobicContact CE2-CB 3.6Å; Y36-L200 PolarHBondContact OH-O 2.97Å; Y36-C201 HydrophobicContact CE2-CB 4.37Å; Y36-C201 WeakPolarHBondContact CE2-SG 3.35Å; Y36-C201 WeakPolarHBondContact OH-CA 3.25Å; Y36-C201 PolarHBondContact OH-N 2.89Å; Y36-C201 PolarHBondContact OH-SG 3.07Å; Y36-C201 VanDerWaalsContact OH-SG 3.34Å; Y36-S204 PolarHBondContact OH-OG 3.1Å; Y36-S204 VanDerWaalsContact OH-OG 3.1Å |
| 37 | G | 83 | Confident | 90.1 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | trans | 93.6 | 155.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | L33 G41 D154 | L33-G37 WeakPolarHBondContact O-CA 3.46Å; L33-G37 PolarHBondContact O-N 3.19Å; G37-G41 PolarHBondContact O-N 2.65Å; G37-G41 VanDerWaalsContact O-N 3.14Å; G37-D154 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 38 | F | 87.8 | Confident | 90.1 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 6% | 0.057 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -80.9 | -35.9 | -175.2 | -46.5 | -57.7 | 0 | 0 | 0 | 112.4 | L33 G41 S42 S83 M86 A90 L153 D154 | L33-F38 HydrophobicContact CB-CD1 4.25Å; L33-F38 HydrophobicContact CB-CE1 4.38Å; F38-G41 PolarHBondContact O-N 3.49Å; F38-S42 WeakPolarHBondContact O-CB 3.29Å; F38-S42 PolarHBondContact O-N 3.08Å; F38-S83 VanDerWaalsContact O-CB 3.27Å; F38-S83 WeakPolarHBondContact O-CB 3.5Å; F38-S83 PolarHBondContact O-OG 3.25Å; F38-M86 HydrophobicContact CD1-CB 3.85Å; F38-M86 HydrophobicContact CE1-CB 3.46Å; F38-M86 VanDerWaalsContact CE1-CB 3.46Å; F38-M86 HydrophobicContact CE1-CE 4.12Å; F38-M86 HydrophobicContact CE1-SD 4.47Å; F38-M86 HydrophobicContact CZ-CB 4.15Å; F38-A90 HydrophobicContact CE2-CB 4.36Å; F38-L153 HydrophobicContact CD2-CB 3.93Å; F38-L153 HydrophobicContact CD2-CD2 4.03Å; F38-L153 HydrophobicContact CE2-CB 4.28Å; F38-L153 HydrophobicContact CE2-CD2 4.03Å; F38-D154 PolarHBondContact N-OD1 3.18Å |
| 39 | S | 85.7 | Confident | 90.1 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.3 | -47.9 | 176.3 | 149.5 | 0 | 0 | 0 | 0 | 109.6 | G41 S42 A43 A147 D154 R207 | S39-G41 VanDerWaalsContact C-N 3.35Å; S39-G41 PolarHBondContact O-N 3.38Å; S39-S42 PolarHBondContact O-N 3.13Å; S39-A43 PolarHBondContact O-N 3.46Å; S39-A147 WeakPolarHBondContact CB-O 3.45Å; S39-A147 VanDerWaalsContact O-CB 3.23Å; S39-A147 WeakPolarHBondContact O-CB 3.23Å; S39-A147 PolarHBondContact OG-O 3.22Å; S39-D154 WeakPolarHBondContact CA-OD2 3.48Å; S39-D154 WeakPolarHBondContact CB-OD2 3.18Å; S39-D154 PolarHBondContact N-OD1 2.83Å; S39-D154 VanDerWaalsContact N-OD1 3.13Å; S39-D154 PolarHBondContact N-OD2 3.38Å; S39-R207 PolarHBondContact OG-NH1 2.96Å |
| 40 | S | 83.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.007 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.5 | -38.1 | 179.5 | -46.9 | 0 | 0 | 0 | 0 | 112.7 | Y36 A43 W44 D154 S204 | Y36-S40 VanDerWaalsContact CZ-CB 3.42Å; Y36-S40 WeakPolarHBondContact OH-CB 3.36Å; Y36-S40 PolarHBondContact OH-OG 3.2Å; S40-A43 PolarHBondContact O-N 2.88Å; S40-W44 PolarHBondContact O-N 2.89Å; S40-W44 VanDerWaalsContact O-N 3.09Å; S40-D154 PolarHBondContact N-OD2 2.89Å; S40-S204 WeakPolarHBondContact OG-CB 3.43Å; S40-S204 PolarHBondContact OG-OG 3.5Å |
| 41 | G | 90.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.6 | -48.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G37 F38 S39 A43 W44 G45 S83 | G37-G41 PolarHBondContact O-N 2.65Å; G37-G41 VanDerWaalsContact O-N 3.14Å; F38-G41 PolarHBondContact O-N 3.49Å; S39-G41 VanDerWaalsContact C-N 3.35Å; S39-G41 PolarHBondContact O-N 3.38Å; G41-A43 VanDerWaalsContact C-N 3.31Å; G41-A43 PolarHBondContact O-N 3.33Å; G41-W44 PolarHBondContact O-N 2.94Å; G41-G45 PolarHBondContact O-N 2.91Å; G41-S83 VanDerWaalsContact C-OG 3.26Å |
| 42 | S | 91.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | F38 S39 G45 A46 S83 T146 A147 | F38-S42 WeakPolarHBondContact O-CB 3.29Å; F38-S42 PolarHBondContact O-N 3.08Å; S39-S42 PolarHBondContact O-N 3.13Å; S42-G45 PolarHBondContact O-N 3.37Å; S42-A46 PolarHBondContact O-N 3.47Å; S42-S83 PolarHBondContact N-OG 3.47Å; S42-T146 PolarHBondContact OG-OG1 3.34Å; S42-A147 PolarHBondContact OG-N 3.3Å |
| 43 | A | 90.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 6% | 0.058 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S39 S40 G41 G45 A46 L47 L144 A147 P203 | S39-A43 PolarHBondContact O-N 3.46Å; S40-A43 PolarHBondContact O-N 2.88Å; G41-A43 VanDerWaalsContact C-N 3.31Å; G41-A43 PolarHBondContact O-N 3.33Å; A43-G45 VanDerWaalsContact C-N 3.33Å; A43-A46 PolarHBondContact O-N 3.16Å; A43-L47 WeakPolarHBondContact O-CG 3.02Å; A43-L47 PolarHBondContact O-N 3.3Å; A43-L47 VanDerWaalsContact O-N 3.08Å; A43-L144 HydrophobicContact CB-CD2 4Å; A43-A147 HydrophobicContact CB-CB 3.85Å; A43-P203 HydrophobicContact CB-CB 3.62Å; A43-P203 HydrophobicContact CB-CG 4.28Å |
| 44 | W | 91.9 | Very high | 90.9 | Very high | 68 Ų | 68 | 23 Ų | 23 | 26% | 0.258 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 172.5 | -83.9 | 107.9 | 0 | 0 | 0 | 112.5 | S40 G41 A46 L47 L48 C199 L200 P203 | S40-W44 PolarHBondContact O-N 2.89Å; S40-W44 VanDerWaalsContact O-N 3.09Å; G41-W44 PolarHBondContact O-N 2.94Å; W44-A46 PolarHBondContact O-N 3.18Å; W44-L47 HydrophobicContact CE3-CB 4.47Å; W44-L47 HydrophobicContact CE3-CD1 4.25Å; W44-L47 HydrophobicContact CZ3-CD1 4.33Å; W44-L47 PolarHBondContact O-N 3.45Å; W44-L48 WeakPolarHBondContact O-CB 3.24Å; W44-L48 VanDerWaalsContact O-CG 3.24Å; W44-L48 WeakPolarHBondContact O-CG 3.41Å; W44-L48 PolarHBondContact O-N 2.68Å; W44-C199 WeakPolarHBondContact CZ2-O 3.14Å; W44-L200 PolarHBondContact NE1-O 2.96Å; W44-P203 HydrophobicContact CD2-CG 4.47Å; W44-P203 HydrophobicContact CZ2-CG 4.19Å |
| 45 | G | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.5 | -53.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G41 S42 A43 L47 L48 M49 G76 T80 | G41-G45 PolarHBondContact O-N 2.91Å; S42-G45 PolarHBondContact O-N 3.37Å; A43-G45 VanDerWaalsContact C-N 3.33Å; G45-L47 PolarHBondContact O-N 3.06Å; G45-L48 PolarHBondContact O-N 3.34Å; G45-M49 WeakPolarHBondContact O-CB 3.4Å; G45-M49 VanDerWaalsContact O-CG 3.27Å; G45-M49 WeakPolarHBondContact O-CG 3.25Å; G45-M49 PolarHBondContact O-N 2.98Å; G45-G76 VanDerWaalsContact CA-O 3.23Å; G45-G76 WeakPolarHBondContact CA-O 3.44Å; G45-G76 WeakPolarHBondContact O-CA 3.38Å; G45-T80 WeakPolarHBondContact CA-OG1 3.13Å |
| 46 | A | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | S42 A43 W44 M49 W50 I143 L144 | S42-A46 PolarHBondContact O-N 3.47Å; A43-A46 PolarHBondContact O-N 3.16Å; W44-A46 PolarHBondContact O-N 3.18Å; A46-M49 PolarHBondContact O-N 3.44Å; A46-W50 WeakPolarHBondContact O-CB 3.4Å; A46-W50 PolarHBondContact O-N 3.28Å; A46-I143 HydrophobicContact CB-CB 3.82Å; A46-I143 HydrophobicContact CB-CG2 3.91Å; A46-L144 HydrophobicContact CB-CD2 3.94Å; A46-L144 HydrophobicContact CB-CG 3.84Å |
| 47 | L | 94.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 22.8 Ų | 22.8 | 22% | 0.22 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 178.1 | -71.8 | 172.4 | 0 | 0 | 0 | 112.1 | A43 W44 G45 W50 I51 L141 L144 P203 | A43-L47 WeakPolarHBondContact O-CG 3.02Å; A43-L47 PolarHBondContact O-N 3.3Å; A43-L47 VanDerWaalsContact O-N 3.08Å; W44-L47 HydrophobicContact CE3-CB 4.47Å; W44-L47 HydrophobicContact CE3-CD1 4.25Å; W44-L47 HydrophobicContact CZ3-CD1 4.33Å; W44-L47 PolarHBondContact O-N 3.45Å; G45-L47 PolarHBondContact O-N 3.06Å; L47-W50 PolarHBondContact O-N 2.94Å; L47-I51 WeakPolarHBondContact O-CB 3.46Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 3.48Å; L47-L141 HydrophobicContact CD2-CD1 4.2Å; L47-L144 HydrophobicContact CG-CD2 4.42Å; L47-P203 HydrophobicContact CD1-CG 4.14Å |
| 48 | L | 95.7 | Very high | 93.2 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.1 | -39.7 | 178.7 | -69.8 | 172.9 | 0 | 0 | 0 | 111.8 | W44 G45 G52 L72 I75 L79 | W44-L48 WeakPolarHBondContact O-CB 3.24Å; W44-L48 VanDerWaalsContact O-CG 3.24Å; W44-L48 WeakPolarHBondContact O-CG 3.41Å; W44-L48 PolarHBondContact O-N 2.68Å; G45-L48 PolarHBondContact O-N 3.34Å; L48-G52 PolarHBondContact O-N 3.5Å; L48-L72 HydrophobicContact CD2-CD1 3.79Å; L48-I75 HydrophobicContact CD1-CG2 3.93Å; L48-L79 HydrophobicContact CD1-CD1 3.77Å |
| 49 | M | 95.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 7% | 0.074 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 173 | -70.4 | 176.4 | 79.2 | 0 | 0 | 111.5 | G45 A46 G52 C53 T73 G76 L77 L140 I143 | G45-M49 WeakPolarHBondContact O-CB 3.4Å; G45-M49 VanDerWaalsContact O-CG 3.27Å; G45-M49 WeakPolarHBondContact O-CG 3.25Å; G45-M49 PolarHBondContact O-N 2.98Å; A46-M49 PolarHBondContact O-N 3.44Å; M49-G52 PolarHBondContact O-N 2.89Å; M49-C53 PolarHBondContact O-N 3.44Å; M49-T73 HydrophobicContact CG-CG2 4.42Å; M49-G76 VanDerWaalsContact CG-C 3.42Å; M49-L77 HydrophobicContact CE-CB 4.22Å; M49-L77 HydrophobicContact CE-CG 4.39Å; M49-L77 HydrophobicContact SD-CB 4.31Å; M49-L140 HydrophobicContact CB-CD1 4.37Å; M49-L140 HydrophobicContact CE-CD1 4.16Å; M49-L140 HydrophobicContact CE-CD2 3.64Å; M49-L140 HydrophobicContact CE-CG 4.4Å; M49-I143 HydrophobicContact CE-CD1 4.11Å; M49-I143 HydrophobicContact SD-CD1 3.95Å |
| 50 | W | 96 | Very high | 93.5 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 31% | 0.311 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.8 | -51.4 | 176.3 | 168.2 | 70 | 0 | 0 | 0 | 111.5 | A46 L47 G52 C53 F54 L141 | A46-W50 WeakPolarHBondContact O-CB 3.4Å; A46-W50 PolarHBondContact O-N 3.28Å; L47-W50 PolarHBondContact O-N 2.94Å; W50-G52 VanDerWaalsContact C-N 3.35Å; W50-G52 PolarHBondContact O-N 3.22Å; W50-C53 PolarHBondContact O-N 3.35Å; W50-F54 WeakPolarHBondContact O-CB 3.19Å; W50-F54 PolarHBondContact O-N 3.48Å; W50-L141 HydrophobicContact CB-CB 4.38Å; W50-L141 HydrophobicContact CB-CD1 3.95Å; W50-L141 HydrophobicContact CD2-CD1 4.27Å; W50-L141 HydrophobicContact CG-CB 4.34Å; W50-L141 HydrophobicContact CG-CD1 3.92Å |
| 51 | I | 96.6 | Very high | 93.7 | Very high | 62 Ų | 62 | 36.5 Ų | 36.5 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 178.3 | -66.7 | 166.2 | 0 | 0 | 0 | 110.5 | L47 F54 V55 L72 | L47-I51 WeakPolarHBondContact O-CB 3.46Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 3.48Å; I51-F54 PolarHBondContact O-N 2.9Å; I51-V55 HydrophobicContact CG2-CG2 4.04Å; I51-V55 WeakPolarHBondContact O-CB 3.26Å; I51-V55 VanDerWaalsContact O-CG2 3.26Å; I51-V55 WeakPolarHBondContact O-CG2 3.45Å; I51-V55 PolarHBondContact O-N 2.78Å; I51-L72 HydrophobicContact CG2-CD2 3.95Å |
| 52 | G | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -51.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L48 M49 W50 S56 T73 | L48-G52 PolarHBondContact O-N 3.5Å; M49-G52 PolarHBondContact O-N 2.89Å; W50-G52 VanDerWaalsContact C-N 3.35Å; W50-G52 PolarHBondContact O-N 3.22Å; G52-S56 VanDerWaalsContact O-CB 3.31Å; G52-S56 WeakPolarHBondContact O-CB 3.44Å; G52-S56 PolarHBondContact O-N 3.43Å; G52-S56 PolarHBondContact O-OG 2.73Å; G52-T73 WeakPolarHBondContact CA-OG1 3.47Å |
| 53 | C | 95.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 176.9 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | M49 W50 S56 S57 | M49-C53 PolarHBondContact O-N 3.44Å; W50-C53 PolarHBondContact O-N 3.35Å; C53-S56 WeakPolarHBondContact O-CB 3.18Å; C53-S56 PolarHBondContact O-N 3.1Å; C53-S57 PolarHBondContact O-N 3.21Å; C53-S57 VanDerWaalsContact O-N 3.12Å |
| 54 | F | 97 | Very high | 93.3 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.4 | -50.4 | 178.5 | -179.2 | -95.4 | 0 | 0 | 0 | 111.7 | W50 I51 S56 S57 F58 L134 | W50-F54 WeakPolarHBondContact O-CB 3.19Å; W50-F54 PolarHBondContact O-N 3.48Å; I51-F54 PolarHBondContact O-N 2.9Å; F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 3.32Å; F54-S57 WeakPolarHBondContact O-CB 3.27Å; F54-S57 PolarHBondContact O-N 3.13Å; F54-S57 PolarHBondContact O-OG 3.29Å; F54-F58 HydrophobicContact CD1-CE2 4.27Å; F54-F58 HydrophobicContact CD2-CE2 4.48Å; F54-F58 HydrophobicContact CE1-CD2 4.46Å; F54-F58 AromaticContact CE1-CE2 3.8Å; F54-F58 HydrophobicContact CE1-CE2 3.8Å; F54-F58 HydrophobicContact CE2-CE2 4.04Å; F54-F58 AromaticContact CZ-CE2 3.67Å; F54-F58 HydrophobicContact CZ-CE2 3.67Å; F54-F58 HydrophobicContact CZ-CZ 4.26Å; F54-F58 WeakPolarHBondContact O-CD2 3.34Å; F54-L134 HydrophobicContact CE2-CD1 4.46Å |
| 55 | V | 96.5 | Very high | 93.3 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | I51 S57 F58 T68 | I51-V55 HydrophobicContact CG2-CG2 4.04Å; I51-V55 WeakPolarHBondContact O-CB 3.26Å; I51-V55 VanDerWaalsContact O-CG2 3.26Å; I51-V55 WeakPolarHBondContact O-CG2 3.45Å; I51-V55 PolarHBondContact O-N 2.78Å; V55-S57 VanDerWaalsContact C-N 3.26Å; V55-S57 PolarHBondContact O-N 2.89Å; V55-F58 PolarHBondContact O-N 3.14Å; V55-F58 VanDerWaalsContact O-N 3.16Å; V55-T68 HydrophobicContact CB-CG2 4.05Å; V55-T68 HydrophobicContact CG1-CG2 3.65Å |
| 56 | S | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -31.5 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | G52 C53 F54 F58 A59 T68 L69 | G52-S56 VanDerWaalsContact O-CB 3.31Å; G52-S56 WeakPolarHBondContact O-CB 3.44Å; G52-S56 PolarHBondContact O-N 3.43Å; G52-S56 PolarHBondContact O-OG 2.73Å; C53-S56 WeakPolarHBondContact O-CB 3.18Å; C53-S56 PolarHBondContact O-N 3.1Å; F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 3.32Å; S56-F58 PolarHBondContact O-N 3.43Å; S56-A59 VanDerWaalsContact O-CB 3.23Å; S56-A59 WeakPolarHBondContact O-CB 3.49Å; S56-A59 PolarHBondContact O-N 2.84Å; S56-A59 VanDerWaalsContact O-N 3.08Å; S56-T68 WeakPolarHBondContact OG-CB 3.45Å; S56-T68 PolarHBondContact OG-OG1 3.25Å; S56-L69 WeakPolarHBondContact OG-CB 3.13Å; S56-L69 PolarHBondContact OG-N 3.21Å |
| 57 | S | 94.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -30.9 | 176.7 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | C53 F54 V55 R130 | C53-S57 PolarHBondContact O-N 3.21Å; C53-S57 VanDerWaalsContact O-N 3.12Å; F54-S57 WeakPolarHBondContact O-CB 3.27Å; F54-S57 PolarHBondContact O-N 3.13Å; F54-S57 PolarHBondContact O-OG 3.29Å; V55-S57 VanDerWaalsContact C-N 3.26Å; V55-S57 PolarHBondContact O-N 2.89Å; S57-R130 VanDerWaalsContact CB-O 3.24Å; S57-R130 WeakPolarHBondContact CB-O 3.43Å; S57-R130 WeakPolarHBondContact O-CB 3.49Å; S57-R130 WeakPolarHBondContact O-CG 3.38Å; S57-R130 PolarHBondContact O-NH1 3.32Å |
| 58 | F | 94.5 | Very high | 93.1 | Very high | 125 Ų | 125 | 49.4 Ų | 49.4 | 55% | 0.548 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 7.5 | 178.7 | -55.6 | -76.9 | 0 | 0 | 0 | 113.6 | F54 V55 S56 N60 L134 | F54-F58 HydrophobicContact CD1-CE2 4.27Å; F54-F58 HydrophobicContact CD2-CE2 4.48Å; F54-F58 HydrophobicContact CE1-CD2 4.46Å; F54-F58 AromaticContact CE1-CE2 3.8Å; F54-F58 HydrophobicContact CE1-CE2 3.8Å; F54-F58 HydrophobicContact CE2-CE2 4.04Å; F54-F58 AromaticContact CZ-CE2 3.67Å; F54-F58 HydrophobicContact CZ-CE2 3.67Å; F54-F58 HydrophobicContact CZ-CZ 4.26Å; F54-F58 WeakPolarHBondContact O-CD2 3.34Å; V55-F58 PolarHBondContact O-N 3.14Å; V55-F58 VanDerWaalsContact O-N 3.16Å; S56-F58 PolarHBondContact O-N 3.43Å; F58-N60 PolarHBondContact O-N 3.33Å; F58-L134 HydrophobicContact CZ-CD1 4.35Å |
| 59 | A | 91.1 | Very high | 93 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | trans | -70.7 | 120.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S56 V64 L65 R130 | S56-A59 VanDerWaalsContact O-CB 3.23Å; S56-A59 WeakPolarHBondContact O-CB 3.49Å; S56-A59 PolarHBondContact O-N 2.84Å; S56-A59 VanDerWaalsContact O-N 3.08Å; A59-V64 HydrophobicContact CB-CB 3.99Å; A59-V64 HydrophobicContact CB-CG1 3.73Å; A59-L65 HydrophobicContact CB-CD2 3.64Å; A59-L65 HydrophobicContact CB-CG 3.81Å; A59-R130 VanDerWaalsContact O-CZ 3.26Å; A59-R130 PolarHBondContact O-NH1 3.41Å; A59-R130 PolarHBondContact O-NH2 3.01Å | ||
| 60 | N | 88 | Confident | 92.9 | Very high | 139 Ų | 139 | 48.2 Ų | 48.2 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | trans | -96.7 | 5.7 | 177.3 | -66.2 | -29.1 | 0 | 0 | 0 | 113.5 | F58 | F58-N60 PolarHBondContact O-N 3.33Š| ||
| 61 | S | 87.5 | Confident | 92.8 | Very high | 41 Ų | 41 | 47 Ų | 47 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -149.8 | 147.1 | 179.6 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | H63 V64 L65 | S61-H63 PolarHBondContact O-N 2.97Å; S61-H63 PolarHBondContact OG-N 3.3Å; S61-V64 WeakPolarHBondContact O-CB 3.48Å; S61-V64 PolarHBondContact O-N 3.47Å; S61-V64 VanDerWaalsContact O-N 3.11Å; S61-L65 PolarHBondContact O-N 3.27Å |
| 62 | F | 83.8 | Confident | 92.8 | Very high | 33 Ų | 33 | 46.6 Ų | 46.6 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -29.7 | 172.7 | -101.9 | -92.3 | 0 | 0 | 0 | 113.3 | F4 L6 L14 V64 L65 Y66 | F4-F62 HydrophobicContact CB-CD2 3.57Å; F4-F62 HydrophobicContact CB-CE2 3.51Å; F4-F62 AromaticContact CD1-CD2 3.75Å; F4-F62 HydrophobicContact CD1-CD2 3.75Å; F4-F62 HydrophobicContact CD1-CE2 4.24Å; F4-F62 AromaticContact CD2-CD2 3.56Å; F4-F62 HydrophobicContact CD2-CD2 3.56Å; F4-F62 AromaticContact CD2-CE2 3.19Å; F4-F62 HydrophobicContact CD2-CE2 3.19Å; F4-F62 HydrophobicContact CD2-CZ 4.35Å; F4-F62 HydrophobicContact CE1-CD2 4.24Å; F4-F62 HydrophobicContact CE2-CD2 4.04Å; F4-F62 AromaticContact CE2-CE2 3.83Å; F4-F62 HydrophobicContact CE2-CE2 3.83Å; F4-F62 AromaticContact CG-CD2 3.35Å; F4-F62 HydrophobicContact CG-CD2 3.35Å; F4-F62 AromaticContact CG-CE2 3.4Å; F4-F62 HydrophobicContact CG-CE2 3.4Å; F4-F62 HydrophobicContact CZ-CD2 4.36Å; L6-F62 HydrophobicContact CD1-CB 4.45Å; L6-F62 HydrophobicContact CD1-CD1 3.61Å; L6-F62 HydrophobicContact CD1-CD2 3.37Å; L6-F62 HydrophobicContact CD1-CE1 3.5Å; L6-F62 HydrophobicContact CD1-CE2 3.22Å; L6-F62 HydrophobicContact CD1-CG 3.55Å; L6-F62 HydrophobicContact CD1-CZ 3.31Å; L6-F62 HydrophobicContact CG-CD2 4.19Å; L6-F62 HydrophobicContact CG-CE2 4.15Å; L14-F62 HydrophobicContact CD2-CE1 4.31Å; F62-V64 VanDerWaalsContact C-N 3.27Å; F62-V64 PolarHBondContact O-N 3.12Å; F62-L65 HydrophobicContact CD1-CD1 4.38Å; F62-L65 HydrophobicContact CE1-CD1 4.46Å; F62-L65 HydrophobicContact CG-CD1 4.46Å; F62-L65 CarbonylContact O-C 3.48Å; F62-L65 WeakPolarHBondContact O-CB 2.99Å; F62-L65 PolarHBondContact O-N 3.04Å; F62-L65 VanDerWaalsContact O-N 3.12Å; F62-Y66 HydrophobicContact CB-CE2 4.24Å; F62-Y66 HydrophobicContact CD1-CE1 4.27Å; F62-Y66 VanDerWaalsContact O-CD2 3.27Å; F62-Y66 WeakPolarHBondContact O-CD2 3.18Å; F62-Y66 PolarHBondContact O-N 2.93Å |
| 63 | H | 88.5 | Confident | 92.8 | Very high | 138 Ų | 138 | 47 Ų | 47 | 64% | 0.639 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.2 | -37.4 | 174.5 | -61.2 | -57 | 0 | 0 | 0 | 112 | S61 Y66 L67 | S61-H63 PolarHBondContact O-N 2.97Å; S61-H63 PolarHBondContact OG-N 3.3Å; H63-Y66 PolarHBondContact O-N 3.37Å; H63-L67 WeakPolarHBondContact O-CG 3.35Å; H63-L67 PolarHBondContact O-N 3.39Å; H63-L67 VanDerWaalsContact O-N 3.14Å |
| 64 | V | 92 | Very high | 92.8 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 33% | 0.333 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.9 | -45 | 173.8 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | A59 S61 F62 Y66 L67 T68 | A59-V64 HydrophobicContact CB-CB 3.99Å; A59-V64 HydrophobicContact CB-CG1 3.73Å; S61-V64 WeakPolarHBondContact O-CB 3.48Å; S61-V64 PolarHBondContact O-N 3.47Å; S61-V64 VanDerWaalsContact O-N 3.11Å; F62-V64 VanDerWaalsContact C-N 3.27Å; F62-V64 PolarHBondContact O-N 3.12Å; V64-Y66 PolarHBondContact O-N 3.09Å; V64-L67 PolarHBondContact O-N 3.34Å; V64-L67 VanDerWaalsContact O-N 3.16Å; V64-T68 HydrophobicContact CG1-CG2 4.02Å; V64-T68 WeakPolarHBondContact O-CB 3.5Å; V64-T68 WeakPolarHBondContact O-CG2 3.2Å; V64-T68 PolarHBondContact O-N 3.25Å; V64-T68 PolarHBondContact O-OG1 3.41Å |
| 65 | L | 91.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.8 | -68.4 | 173.3 | 0 | 0 | 0 | 113.2 | L14 A59 S61 F62 L67 T68 L69 G70 W129 | L14-L65 HydrophobicContact CD2-CB 4.29Å; A59-L65 HydrophobicContact CB-CD2 3.64Å; A59-L65 HydrophobicContact CB-CG 3.81Å; S61-L65 PolarHBondContact O-N 3.27Å; F62-L65 HydrophobicContact CD1-CD1 4.38Å; F62-L65 HydrophobicContact CE1-CD1 4.46Å; F62-L65 HydrophobicContact CG-CD1 4.46Å; F62-L65 CarbonylContact O-C 3.48Å; F62-L65 WeakPolarHBondContact O-CB 2.99Å; F62-L65 PolarHBondContact O-N 3.04Å; F62-L65 VanDerWaalsContact O-N 3.12Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.15Å; L65-T68 PolarHBondContact O-N 2.87Å; L65-L69 WeakPolarHBondContact O-CA 3.22Å; L65-L69 WeakPolarHBondContact O-CB 3.33Å; L65-L69 PolarHBondContact O-N 2.81Å; L65-G70 PolarHBondContact O-N 3.42Å; L65-W129 HydrophobicContact CD1-CH2 4.45Å; L65-W129 HydrophobicContact CD2-CZ3 4.36Å |
| 66 | Y | 91.3 | Very high | 92.7 | Very high | 35 Ų | 35 | 42.2 Ų | 42.2 | 14% | 0.137 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -60.9 | -40.7 | 174.7 | -65.8 | -43.9 | 0 | 0 | 0 | 111.4 | E10 I13 L14 M17 F62 H63 V64 G70 I71 | E10-Y66 PolarHBondContact O-OH 2.88Å; I13-Y66 HydrophobicContact CB-CE1 4.04Å; I13-Y66 HydrophobicContact CG2-CD1 4.1Å; I13-Y66 HydrophobicContact CG2-CE1 3.64Å; L14-Y66 HydrophobicContact CB-CD1 4.13Å; L14-Y66 HydrophobicContact CB-CE1 3.87Å; L14-Y66 HydrophobicContact CD1-CD1 4.03Å; M17-Y66 HydrophobicContact SD-CD1 3.86Å; M17-Y66 HydrophobicContact SD-CG 4.28Å; F62-Y66 HydrophobicContact CB-CE2 4.24Å; F62-Y66 HydrophobicContact CD1-CE1 4.27Å; F62-Y66 VanDerWaalsContact O-CD2 3.27Å; F62-Y66 WeakPolarHBondContact O-CD2 3.18Å; F62-Y66 PolarHBondContact O-N 2.93Å; H63-Y66 PolarHBondContact O-N 3.37Å; V64-Y66 PolarHBondContact O-N 3.09Å; Y66-G70 CarbonylContact O-C 3.18Å; Y66-G70 WeakPolarHBondContact O-CA 3.44Å; Y66-G70 PolarHBondContact O-N 3.41Å; Y66-I71 PolarHBondContact O-N 3.01Å |
| 67 | L | 94 | Very high | 92.7 | Very high | 109 Ų | 109 | 45.2 Ų | 45.2 | 57% | 0.571 | 23% | 0.232 | S | C | * | . | I | π-helix | trans | -72.1 | -46.6 | 177.8 | -68.3 | 175.9 | 0 | 0 | 0 | 112.4 | H63 V64 L65 I71 L72 | H63-L67 WeakPolarHBondContact O-CG 3.35Å; H63-L67 PolarHBondContact O-N 3.39Å; H63-L67 VanDerWaalsContact O-N 3.14Å; V64-L67 PolarHBondContact O-N 3.34Å; V64-L67 VanDerWaalsContact O-N 3.16Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.15Å; L67-I71 HydrophobicContact CD2-CD1 4.15Å; L67-I71 WeakPolarHBondContact O-CB 3.29Å; L67-I71 PolarHBondContact O-N 2.99Å; L67-L72 PolarHBondContact O-N 3.25Å |
| 68 | T | 95.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -83.9 | -57.2 | -172.2 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | V55 S56 V64 L65 L72 T73 | V55-T68 HydrophobicContact CB-CG2 4.05Å; V55-T68 HydrophobicContact CG1-CG2 3.65Å; S56-T68 WeakPolarHBondContact OG-CB 3.45Å; S56-T68 PolarHBondContact OG-OG1 3.25Å; V64-T68 HydrophobicContact CG1-CG2 4.02Å; V64-T68 WeakPolarHBondContact O-CB 3.5Å; V64-T68 WeakPolarHBondContact O-CG2 3.2Å; V64-T68 PolarHBondContact O-N 3.25Å; V64-T68 PolarHBondContact O-OG1 3.41Å; L65-T68 PolarHBondContact O-N 2.87Å; T68-L72 WeakPolarHBondContact O-CB 3.49Å; T68-L72 PolarHBondContact O-N 3.02Å; T68-T73 PolarHBondContact O-N 2.75Å; T68-T73 PolarHBondContact O-OG1 3.43Å; T68-T73 VanDerWaalsContact O-OG1 3.1Å |
| 69 | L | 92.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -80.4 | -35.5 | -179.2 | -167.7 | 61.1 | 0 | 0 | 0 | 111.8 | L14 I18 S56 L65 T73 L133 | L14-L69 HydrophobicContact CD1-CB 4.28Å; L14-L69 HydrophobicContact CD2-CD2 4.3Å; I18-L69 HydrophobicContact CD1-CD2 4.06Å; I18-L69 HydrophobicContact CD1-CG 3.87Å; I18-L69 HydrophobicContact CG1-CG 4.35Å; S56-L69 WeakPolarHBondContact OG-CB 3.13Å; S56-L69 PolarHBondContact OG-N 3.21Å; L65-L69 WeakPolarHBondContact O-CA 3.22Å; L65-L69 WeakPolarHBondContact O-CB 3.33Å; L65-L69 PolarHBondContact O-N 2.81Å; L69-T73 HydrophobicContact CD1-CG2 4.31Å; L69-T73 WeakPolarHBondContact O-CB 3.47Å; L69-L133 HydrophobicContact CD1-CD2 4.48Å; L69-L133 HydrophobicContact CD2-CD2 4.42Å |
| 70 | G | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -77.1 | -47.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L65 Y66 S74 | L65-G70 PolarHBondContact O-N 3.42Å; Y66-G70 CarbonylContact O-C 3.18Å; Y66-G70 WeakPolarHBondContact O-CA 3.44Å; Y66-G70 PolarHBondContact O-N 3.41Å; G70-S74 WeakPolarHBondContact O-CB 3.46Å; G70-S74 PolarHBondContact O-OG 3.25Å |
| 71 | I | 94.6 | Very high | 93.2 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 30% | 0.297 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -100.9 | -55.8 | -175.9 | -59.9 | 176.4 | 0 | 0 | 0 | 111.9 | F25 Y66 L67 S74 I75 | F25-I71 HydrophobicContact CE2-CG2 4.13Å; F25-I71 HydrophobicContact CZ-CG2 4.07Å; Y66-I71 PolarHBondContact O-N 3.01Å; L67-I71 HydrophobicContact CD2-CD1 4.15Å; L67-I71 WeakPolarHBondContact O-CB 3.29Å; L67-I71 PolarHBondContact O-N 2.99Å; I71-S74 WeakPolarHBondContact O-CB 3.32Å; I71-S74 PolarHBondContact O-N 3.03Å; I71-I75 HydrophobicContact CG2-CD1 3.95Å; I71-I75 WeakPolarHBondContact O-CG1 3.39Å; I71-I75 PolarHBondContact O-N 3.22Å |
| 72 | L | 96 | Very high | 93.6 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 27% | 0.272 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -65.3 | -50.1 | -172.2 | -174.3 | 65.9 | 0 | 0 | 0 | 112.4 | L48 I51 L67 T68 S74 I75 G76 | L48-L72 HydrophobicContact CD2-CD1 3.79Å; I51-L72 HydrophobicContact CG2-CD2 3.95Å; L67-L72 PolarHBondContact O-N 3.25Å; T68-L72 WeakPolarHBondContact O-CB 3.49Å; T68-L72 PolarHBondContact O-N 3.02Å; L72-S74 VanDerWaalsContact C-N 3.26Å; L72-S74 PolarHBondContact O-N 2.83Å; L72-I75 PolarHBondContact O-N 3.3Å; L72-G76 PolarHBondContact O-N 3.28Å |
| 73 | T | 95.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -38.5 | 174.1 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | M49 G52 T68 L69 G76 L77 | M49-T73 HydrophobicContact CG-CG2 4.42Å; G52-T73 WeakPolarHBondContact CA-OG1 3.47Å; T68-T73 PolarHBondContact O-N 2.75Å; T68-T73 PolarHBondContact O-OG1 3.43Å; T68-T73 VanDerWaalsContact O-OG1 3.1Å; L69-T73 HydrophobicContact CD1-CG2 4.31Å; L69-T73 WeakPolarHBondContact O-CB 3.47Å; T73-G76 CarbonylContact O-C 3.59Å; T73-G76 PolarHBondContact O-N 2.87Å; T73-L77 WeakPolarHBondContact O-CB 3.26Å; T73-L77 PolarHBondContact O-N 3.17Å |
| 74 | S | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 179.2 | -71.1 | 0 | 0 | 0 | 0 | 114.1 | P22 G70 I71 L72 G76 L77 Q78 | P22-S74 WeakPolarHBondContact CA-O 3.17Å; G70-S74 WeakPolarHBondContact O-CB 3.46Å; G70-S74 PolarHBondContact O-OG 3.25Å; I71-S74 WeakPolarHBondContact O-CB 3.32Å; I71-S74 PolarHBondContact O-N 3.03Å; L72-S74 VanDerWaalsContact C-N 3.26Å; L72-S74 PolarHBondContact O-N 2.83Å; S74-G76 VanDerWaalsContact C-N 3.3Å; S74-L77 PolarHBondContact O-N 2.96Å; S74-Q78 PolarHBondContact O-N 3.43Å |
| 75 | I | 96.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 25.9 Ų | 25.9 | 21% | 0.205 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 172.4 | -68.1 | 165.2 | 0 | 0 | 0 | 109.5 | F25 L48 I71 L72 Q78 L79 | F25-I75 HydrophobicContact CD1-CG1 4.42Å; F25-I75 HydrophobicContact CD2-CD1 4.31Å; F25-I75 HydrophobicContact CD2-CG1 3.43Å; F25-I75 VanDerWaalsContact CD2-CG1 3.43Å; F25-I75 HydrophobicContact CE1-CD1 4.43Å; F25-I75 HydrophobicContact CE1-CG1 4.47Å; F25-I75 HydrophobicContact CE2-CD1 3.97Å; F25-I75 HydrophobicContact CE2-CG1 3.5Å; F25-I75 HydrophobicContact CG-CG1 3.93Å; F25-I75 HydrophobicContact CZ-CD1 4.04Å; F25-I75 HydrophobicContact CZ-CG1 4.05Å; L48-I75 HydrophobicContact CD1-CG2 3.93Å; I71-I75 HydrophobicContact CG2-CD1 3.95Å; I71-I75 WeakPolarHBondContact O-CG1 3.39Å; I71-I75 PolarHBondContact O-N 3.22Å; L72-I75 PolarHBondContact O-N 3.3Å; I75-Q78 PolarHBondContact O-N 3.39Å; I75-L79 HydrophobicContact CG2-CD1 3.81Å; I75-L79 WeakPolarHBondContact O-CB 3.44Å; I75-L79 PolarHBondContact O-N 3.02Å |
| 76 | G | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G45 M49 L72 T73 S74 L79 T80 | G45-G76 VanDerWaalsContact CA-O 3.23Å; G45-G76 WeakPolarHBondContact CA-O 3.44Å; G45-G76 WeakPolarHBondContact O-CA 3.38Å; M49-G76 VanDerWaalsContact CG-C 3.42Å; L72-G76 PolarHBondContact O-N 3.28Å; T73-G76 CarbonylContact O-C 3.59Å; T73-G76 PolarHBondContact O-N 2.87Å; S74-G76 VanDerWaalsContact C-N 3.3Å; G76-L79 PolarHBondContact O-N 2.89Å; G76-T80 PolarHBondContact O-N 2.95Å; G76-T80 PolarHBondContact O-OG1 3.31Å |
| 77 | L | 94.7 | Very high | 94.6 | Very high | 62 Ų | 62 | 24.2 Ų | 24.2 | 33% | 0.325 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 175.1 | -170.6 | 159 | 0 | 0 | 0 | 110.2 | P22 M49 T73 S74 T80 Y81 | P22-L77 HydrophobicContact CB-CD2 3.9Å; P22-L77 HydrophobicContact CG-CB 4.43Å; P22-L77 HydrophobicContact CG-CD2 3.97Å; M49-L77 HydrophobicContact CE-CB 4.22Å; M49-L77 HydrophobicContact CE-CG 4.39Å; M49-L77 HydrophobicContact SD-CB 4.31Å; T73-L77 WeakPolarHBondContact O-CB 3.26Å; T73-L77 PolarHBondContact O-N 3.17Å; S74-L77 PolarHBondContact O-N 2.96Å; L77-T80 PolarHBondContact O-N 3.38Å; L77-Y81 VanDerWaalsContact O-CB 3.29Å; L77-Y81 WeakPolarHBondContact O-CB 3.23Å; L77-Y81 PolarHBondContact O-N 2.94Å |
| 78 | Q | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 179 | -168.3 | 65.6 | 20.2 | 0 | 0 | 112.6 | P22 L29 S74 I75 T80 Y81 L82 | P22-Q78 VanDerWaalsContact C-CD 3.44Å; P22-Q78 HydrophobicContact CB-CB 3.81Å; P22-Q78 HydrophobicContact CB-CG 4.47Å; P22-Q78 VanDerWaalsContact O-CB 3.29Å; P22-Q78 WeakPolarHBondContact O-CB 2.99Å; P22-Q78 WeakPolarHBondContact O-CG 3.13Å; P22-Q78 PolarHBondContact O-OE1 3.3Å; P22-Q78 VanDerWaalsContact O-OE1 3.13Å; L29-Q78 HydrophobicContact CD1-CB 3.68Å; L29-Q78 HydrophobicContact CD1-CG 3.65Å; S74-Q78 PolarHBondContact O-N 3.43Å; I75-Q78 PolarHBondContact O-N 3.39Å; Q78-T80 VanDerWaalsContact C-N 3.3Å; Q78-T80 PolarHBondContact O-N 3.43Å; Q78-Y81 PolarHBondContact O-N 3.41Å; Q78-L82 HydrophobicContact CG-CD1 3.72Å; Q78-L82 HydrophobicContact CG-CG 4.01Å; Q78-L82 VanDerWaalsContact NE2-CG 3.27Å; Q78-L82 WeakPolarHBondContact O-CB 3.26Å; Q78-L82 WeakPolarHBondContact O-CG 3.44Å; Q78-L82 PolarHBondContact O-N 3.44Å |
| 79 | L | 94.7 | Very high | 94.4 | Very high | 11 Ų | 11 | 19.8 Ų | 19.8 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.8 | -46.1 | 176.6 | -97.3 | 146.2 | 0 | 0 | 0 | 111.2 | L29 L33 L48 I75 G76 S83 | L29-L79 HydrophobicContact CD1-CD1 4.47Å; L29-L79 HydrophobicContact CD1-CG 4.06Å; L29-L79 HydrophobicContact CD2-CD1 3.9Å; L29-L79 HydrophobicContact CD2-CD2 4.2Å; L29-L79 HydrophobicContact CD2-CG 3.8Å; L29-L79 HydrophobicContact CG-CG 4.43Å; L33-L79 HydrophobicContact CD2-CD2 4.29Å; L48-L79 HydrophobicContact CD1-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CD1 3.81Å; I75-L79 WeakPolarHBondContact O-CB 3.44Å; I75-L79 PolarHBondContact O-N 3.02Å; G76-L79 PolarHBondContact O-N 2.89Å; L79-S83 WeakPolarHBondContact O-CB 3.48Å; L79-S83 PolarHBondContact O-N 3.03Å; L79-S83 PolarHBondContact O-OG 3.48Å |
| 80 | T | 94 | Very high | 94.1 | Very high | 20 Ų | 20 | 21.1 Ų | 21.1 | 12% | 0.123 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.9 | -49.2 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | G45 G76 L77 Q78 S83 A84 I143 | G45-T80 WeakPolarHBondContact CA-OG1 3.13Å; G76-T80 PolarHBondContact O-N 2.95Å; G76-T80 PolarHBondContact O-OG1 3.31Å; L77-T80 PolarHBondContact O-N 3.38Å; Q78-T80 VanDerWaalsContact C-N 3.3Å; Q78-T80 PolarHBondContact O-N 3.43Å; T80-S83 PolarHBondContact O-N 3.32Å; T80-A84 PolarHBondContact O-N 3.5Å; T80-I143 HydrophobicContact CG2-CD1 4.49Å; T80-I143 HydrophobicContact CG2-CG2 3.34Å |
| 81 | Y | 94.3 | Very high | 93.8 | Very high | 59 Ų | 59 | 25.8 Ų | 25.8 | 23% | 0.231 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -51.1 | -179.5 | 173.2 | -97.2 | 0 | 0 | 0 | 112.1 | L77 Q78 A84 L85 M106 L474 | L77-Y81 VanDerWaalsContact O-CB 3.29Å; L77-Y81 WeakPolarHBondContact O-CB 3.23Å; L77-Y81 PolarHBondContact O-N 2.94Å; Q78-Y81 PolarHBondContact O-N 3.41Å; Y81-A84 PolarHBondContact O-N 3.42Å; Y81-L85 HydrophobicContact CE1-CD2 3.94Å; Y81-L85 WeakPolarHBondContact O-CB 3.49Å; Y81-L85 PolarHBondContact O-N 3.09Å; Y81-M106 HydrophobicContact CE2-CE 3.63Å; Y81-M106 HydrophobicContact CE2-SD 3.57Å; Y81-M106 VanDerWaalsContact CE2-SD 3.57Å; Y81-M106 VanDerWaalsContact OH-CE 3.27Å; Y81-M106 WeakPolarHBondContact OH-CE 3.18Å; Y81-M106 PolarHBondContact OH-SD 3.29Å; Y81-M106 VanDerWaalsContact OH-SD 3.38Å; Y81-L474 HydrophobicContact CE1-CD1 4.36Å |
| 82 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.8 | -71.6 | 176.4 | 0 | 0 | 0 | 111.5 | A26 L29 L33 Q78 A84 L85 M86 L470 L474 | A26-L82 HydrophobicContact CB-CD1 4.35Å; L29-L82 HydrophobicContact CB-CD1 3.72Å; L33-L82 HydrophobicContact CD1-CB 3.36Å; L33-L82 HydrophobicContact CD1-CD1 4.31Å; L33-L82 HydrophobicContact CD1-CG 4.48Å; Q78-L82 HydrophobicContact CG-CD1 3.72Å; Q78-L82 HydrophobicContact CG-CG 4.01Å; Q78-L82 VanDerWaalsContact NE2-CG 3.27Å; Q78-L82 WeakPolarHBondContact O-CB 3.26Å; Q78-L82 WeakPolarHBondContact O-CG 3.44Å; Q78-L82 PolarHBondContact O-N 3.44Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 3.17Å; L82-L85 PolarHBondContact O-N 3.1Å; L82-M86 HydrophobicContact CB-SD 4.11Å; L82-M86 WeakPolarHBondContact O-CA 3.36Å; L82-M86 WeakPolarHBondContact O-CB 3.11Å; L82-M86 WeakPolarHBondContact O-CG 3.36Å; L82-M86 PolarHBondContact O-N 3.47Å; L82-L470 HydrophobicContact CD2-CD2 3.84Å; L82-L474 HydrophobicContact CD2-CD1 3.82Å |
| 83 | S | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | L33 F38 G41 S42 L79 T80 S87 | L33-S83 VanDerWaalsContact CD2-OG 3.3Å; L33-S83 WeakPolarHBondContact CD2-OG 3.3Å; F38-S83 VanDerWaalsContact O-CB 3.27Å; F38-S83 WeakPolarHBondContact O-CB 3.5Å; F38-S83 PolarHBondContact O-OG 3.25Å; G41-S83 VanDerWaalsContact C-OG 3.26Å; S42-S83 PolarHBondContact N-OG 3.47Å; L79-S83 WeakPolarHBondContact O-CB 3.48Å; L79-S83 PolarHBondContact O-N 3.03Å; L79-S83 PolarHBondContact O-OG 3.48Å; T80-S83 PolarHBondContact O-N 3.32Å; S83-S87 WeakPolarHBondContact O-CB 3.38Å; S83-S87 PolarHBondContact O-N 3.13Å; S83-S87 VanDerWaalsContact O-N 3.09Å; S83-S87 PolarHBondContact O-OG 2.92Å |
| 84 | A | 93.7 | Very high | 92.4 | Very high | 40 Ų | 40 | 32.1 Ų | 32.1 | 33% | 0.331 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66 | -49 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T80 Y81 L82 S87 V88 T105 | T80-A84 PolarHBondContact O-N 3.5Å; Y81-A84 PolarHBondContact O-N 3.42Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 3.17Å; A84-S87 PolarHBondContact O-OG 3.05Å; A84-V88 WeakPolarHBondContact O-CG2 3.46Å; A84-V88 PolarHBondContact O-N 3.45Å; A84-T105 HydrophobicContact CB-CG2 4.27Å |
| 85 | L | 94.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.3 | -52.1 | -179.1 | 176.5 | 54.2 | 0 | 0 | 0 | 112.1 | Y81 L82 S87 V88 T89 I102 M106 P454 W466 L470 | Y81-L85 HydrophobicContact CE1-CD2 3.94Å; Y81-L85 WeakPolarHBondContact O-CB 3.49Å; Y81-L85 PolarHBondContact O-N 3.09Å; L82-L85 PolarHBondContact O-N 3.1Å; L85-S87 PolarHBondContact O-N 2.97Å; L85-V88 PolarHBondContact O-N 3.12Å; L85-T89 HydrophobicContact CD1-CG2 3.88Å; L85-T89 HydrophobicContact CG-CG2 4.42Å; L85-T89 WeakPolarHBondContact O-CG2 3.16Å; L85-T89 PolarHBondContact O-N 3.17Å; L85-T89 PolarHBondContact O-OG1 3.4Å; L85-I102 HydrophobicContact CD1-CD1 3.65Å; L85-M106 HydrophobicContact CB-CE 4Å; L85-M106 HydrophobicContact CD1-CE 3.44Å; L85-M106 VanDerWaalsContact CD1-CE 3.44Å; L85-M106 HydrophobicContact CD2-CE 3.74Å; L85-M106 HydrophobicContact CG-CE 3.9Å; L85-P454 HydrophobicContact CD1-CB 4.34Å; L85-P454 HydrophobicContact CD1-CG 4.27Å; L85-W466 HydrophobicContact CG-CH2 4.38Å; L85-L470 HydrophobicContact CD2-CD1 4.39Å; L85-L470 HydrophobicContact CD2-CD2 4.01Å |
| 86 | M | 94 | Very high | 91.3 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | -177.3 | -63.4 | 176.8 | 71.7 | 0 | 0 | 111.5 | C30 L33 D34 F38 L82 V88 T89 A90 W466 S467 L470 | C30-M86 HydrophobicContact CB-CE 4.46Å; C30-M86 HydrophobicContact CB-SD 4.49Å; L33-M86 HydrophobicContact CB-CE 4.26Å; L33-M86 HydrophobicContact CB-SD 4.02Å; L33-M86 HydrophobicContact CD1-SD 3.62Å; L33-M86 HydrophobicContact CG-SD 4.47Å; D34-M86 WeakPolarHBondContact OD1-CE 3.26Å; F38-M86 HydrophobicContact CD1-CB 3.85Å; F38-M86 HydrophobicContact CE1-CB 3.46Å; F38-M86 VanDerWaalsContact CE1-CB 3.46Å; F38-M86 HydrophobicContact CE1-CE 4.12Å; F38-M86 HydrophobicContact CE1-SD 4.47Å; F38-M86 HydrophobicContact CZ-CB 4.15Å; L82-M86 HydrophobicContact CB-SD 4.11Å; L82-M86 WeakPolarHBondContact O-CA 3.36Å; L82-M86 WeakPolarHBondContact O-CB 3.11Å; L82-M86 WeakPolarHBondContact O-CG 3.36Å; L82-M86 PolarHBondContact O-N 3.47Å; M86-V88 PolarHBondContact O-N 2.83Å; M86-T89 VanDerWaalsContact CA-OG1 3.25Å; M86-T89 WeakPolarHBondContact CA-OG1 3.25Å; M86-T89 PolarHBondContact O-N 3.42Å; M86-T89 PolarHBondContact O-OG1 3.47Å; M86-A90 WeakPolarHBondContact O-CB 3.38Å; M86-A90 PolarHBondContact O-N 2.85Å; M86-W466 HydrophobicContact CB-CH2 4.34Å; M86-W466 HydrophobicContact CB-CZ3 4.14Å; M86-W466 HydrophobicContact CE-CZ3 4.5Å; M86-W466 HydrophobicContact CG-CH2 3.85Å; M86-W466 HydrophobicContact CG-CZ3 3.76Å; M86-S467 WeakPolarHBondContact CE-OG 3.45Å; M86-L470 HydrophobicContact CG-CD2 4.41Å |
| 87 | S | 91.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 176.3 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | S83 A84 L85 T89 A90 Q91 L153 | S83-S87 WeakPolarHBondContact O-CB 3.38Å; S83-S87 PolarHBondContact O-N 3.13Å; S83-S87 VanDerWaalsContact O-N 3.09Å; S83-S87 PolarHBondContact O-OG 2.92Å; A84-S87 PolarHBondContact O-OG 3.05Å; L85-S87 PolarHBondContact O-N 2.97Å; S87-T89 VanDerWaalsContact C-N 3.35Å; S87-T89 PolarHBondContact O-N 3.4Å; S87-A90 PolarHBondContact O-N 3.26Å; S87-Q91 PolarHBondContact O-N 3.1Å; S87-L153 VanDerWaalsContact O-CD2 3.24Å; S87-L153 WeakPolarHBondContact O-CD2 3.28Å |
| 88 | V | 92.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 16% | 0.158 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.8 | 172 | 0 | 0 | 0 | 0 | 111.1 | A84 L85 M86 A90 Q91 F92 A101 T105 | A84-V88 WeakPolarHBondContact O-CG2 3.46Å; A84-V88 PolarHBondContact O-N 3.45Å; L85-V88 PolarHBondContact O-N 3.12Å; M86-V88 PolarHBondContact O-N 2.83Å; V88-A90 VanDerWaalsContact C-N 3.35Å; V88-A90 PolarHBondContact O-N 2.97Å; V88-Q91 PolarHBondContact O-N 3.35Å; V88-F92 HydrophobicContact CG1-CD2 3.96Å; V88-F92 WeakPolarHBondContact O-CD2 3.15Å; V88-F92 PolarHBondContact O-N 3.31Å; V88-A101 HydrophobicContact CG1-CB 3.72Å; V88-T105 HydrophobicContact CG2-CG2 4.4Å; V88-T105 WeakPolarHBondContact CG2-OG1 3.42Å |
| 89 | T | 92 | Very high | 90.7 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | L85 M86 S87 Q91 F92 E93 F98 I102 P454 W466 | L85-T89 HydrophobicContact CD1-CG2 3.88Å; L85-T89 HydrophobicContact CG-CG2 4.42Å; L85-T89 WeakPolarHBondContact O-CG2 3.16Å; L85-T89 PolarHBondContact O-N 3.17Å; L85-T89 PolarHBondContact O-OG1 3.4Å; M86-T89 VanDerWaalsContact CA-OG1 3.25Å; M86-T89 WeakPolarHBondContact CA-OG1 3.25Å; M86-T89 PolarHBondContact O-N 3.42Å; M86-T89 PolarHBondContact O-OG1 3.47Å; S87-T89 VanDerWaalsContact C-N 3.35Å; S87-T89 PolarHBondContact O-N 3.4Å; T89-Q91 PolarHBondContact O-N 3.31Å; T89-F92 PolarHBondContact O-N 3.07Å; T89-E93 WeakPolarHBondContact O-CA 3.48Å; T89-E93 WeakPolarHBondContact O-CB 3.33Å; T89-E93 WeakPolarHBondContact O-CG 3.3Å; T89-E93 PolarHBondContact O-N 3.19Å; T89-F98 HydrophobicContact CG2-CE2 3.95Å; T89-F98 HydrophobicContact CG2-CZ 4.2Å; T89-I102 HydrophobicContact CG2-CD1 3.35Å; T89-P454 HydrophobicContact CG2-CB 4.48Å; T89-W466 HydrophobicContact CG2-CH2 3.52Å; T89-W466 HydrophobicContact CG2-CZ2 3.48Å; T89-W466 VanDerWaalsContact CG2-CZ2 3.48Å; T89-W466 HydrophobicContact CG2-CZ3 4.35Å; T89-W466 WeakPolarHBondContact OG1-CH2 3.48Å; T89-W466 WeakPolarHBondContact OG1-CZ3 3.46Å |
| 90 | A | 87.2 | Confident | 90.7 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 42% | 0.421 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -28.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F38 M86 S87 V88 L153 | F38-A90 HydrophobicContact CE2-CB 4.36Å; M86-A90 WeakPolarHBondContact O-CB 3.38Å; M86-A90 PolarHBondContact O-N 2.85Å; S87-A90 PolarHBondContact O-N 3.26Å; V88-A90 VanDerWaalsContact C-N 3.35Å; V88-A90 PolarHBondContact O-N 2.97Å; A90-L153 HydrophobicContact CB-CD2 4.12Å |
| 91 | Q | 86.5 | Confident | 90.7 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 46% | 0.458 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -87.2 | -34.2 | 178.4 | -64.6 | -176.2 | -75.8 | 0 | 0 | 113.3 | S87 V88 T89 H152 L153 | S87-Q91 PolarHBondContact O-N 3.1Å; V88-Q91 PolarHBondContact O-N 3.35Å; T89-Q91 PolarHBondContact O-N 3.31Å; Q91-H152 PolarHBondContact NE2-NE2 3.35Å; Q91-L153 HydrophobicContact CG-CD2 3.65Å; Q91-L153 HydrophobicContact CG-CG 4.22Å |
| 92 | F | 89.4 | Confident | 90.8 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -110.5 | -3.8 | -169.2 | -70.4 | -87 | 0 | 0 | 0 | 114.3 | V88 T89 N94 S95 F98 A101 | V88-F92 HydrophobicContact CG1-CD2 3.96Å; V88-F92 WeakPolarHBondContact O-CD2 3.15Å; V88-F92 PolarHBondContact O-N 3.31Å; T89-F92 PolarHBondContact O-N 3.07Å; F92-N94 PolarHBondContact O-N 3.2Å; F92-S95 VanDerWaalsContact O-CB 3.3Å; F92-S95 WeakPolarHBondContact O-CB 3.3Å; F92-S95 PolarHBondContact O-N 3.33Å; F92-F98 HydrophobicContact CB-CD2 4.06Å; F92-F98 WeakPolarHBondContact O-CB 3.46Å; F92-F98 WeakPolarHBondContact O-CD2 3.16Å; F92-A101 HydrophobicContact CB-CB 3.96Å; F92-A101 HydrophobicContact CD1-CB 4.09Å; F92-A101 HydrophobicContact CD2-CB 3.89Å; F92-A101 HydrophobicContact CE2-CB 4.42Å; F92-A101 HydrophobicContact CG-CB 3.71Å |
| 93 | E | 84.2 | Confident | 90.8 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -34.9 | -177.5 | 51.7 | 165.9 | -146.2 | 0 | 0 | 113.9 | T89 I458 T463 | T89-E93 WeakPolarHBondContact O-CA 3.48Å; T89-E93 WeakPolarHBondContact O-CB 3.33Å; T89-E93 WeakPolarHBondContact O-CG 3.3Å; T89-E93 PolarHBondContact O-N 3.19Å; E93-I458 HydrophobicContact CB-CD1 4.22Å; E93-T463 HydrophobicContact CB-CG2 4.46Å; E93-T463 WeakPolarHBondContact OE2-CB 3.27Å; E93-T463 WeakPolarHBondContact OE2-CG2 3.22Å |
| 94 | N | 81.8 | Confident | 90.9 | Very high | 123 Ų | 123 | 41.6 Ų | 41.6 | 66% | 0.658 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -6.4 | -179.4 | -65.3 | -54 | 0 | 0 | 0 | 113.7 | F92 | F92-N94 PolarHBondContact O-N 3.2Š|
| 95 | S | 85 | Confident | 90.9 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -83.4 | 149.6 | -177.6 | -171 | 0 | 0 | 0 | 0 | 112.2 | F92 Y97 F98 | F92-S95 VanDerWaalsContact O-CB 3.3Å; F92-S95 WeakPolarHBondContact O-CB 3.3Å; F92-S95 PolarHBondContact O-N 3.33Å; S95-Y97 PolarHBondContact O-N 3.49Å; S95-Y97 PolarHBondContact OG-N 3.2Å; S95-F98 WeakPolarHBondContact O-CB 3.36Å; S95-F98 PolarHBondContact O-N 2.87Å |
| 96 | S | 85.8 | Confident | 90.9 | Very high | 48 Ų | 48 | 42 Ų | 42 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.3 | 169.7 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | F98 S346 D350 | S96-F98 VanDerWaalsContact C-N 3.25Å; S96-F98 PolarHBondContact O-N 3.21Å; S96-S346 WeakPolarHBondContact O-CA 3.48Å; S96-S346 WeakPolarHBondContact O-CB 3.14Å; S96-D350 WeakPolarHBondContact CB-OD2 3.47Å |
| 97 | Y | 89.7 | Confident | 90.9 | Very high | 145 Ų | 145 | 42.5 Ų | 42.5 | 57% | 0.569 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 12.4 | 178.9 | -54.3 | -74.5 | 0 | 0 | 0 | 113.7 | S95 G99 L100 A101 | S95-Y97 PolarHBondContact O-N 3.49Å; S95-Y97 PolarHBondContact OG-N 3.2Å; Y97-G99 PolarHBondContact O-N 2.64Å; Y97-L100 PolarHBondContact O-N 2.87Å; Y97-A101 PolarHBondContact O-N 3.47Å |
| 98 | F | 91.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.1 | -49.1 | -176 | 178.9 | -122.3 | 0 | 0 | 0 | 112.6 | T89 F92 S95 S96 L100 A101 I102 Q455 I458 | T89-F98 HydrophobicContact CG2-CE2 3.95Å; T89-F98 HydrophobicContact CG2-CZ 4.2Å; F92-F98 HydrophobicContact CB-CD2 4.06Å; F92-F98 WeakPolarHBondContact O-CB 3.46Å; F92-F98 WeakPolarHBondContact O-CD2 3.16Å; S95-F98 WeakPolarHBondContact O-CB 3.36Å; S95-F98 PolarHBondContact O-N 2.87Å; S96-F98 VanDerWaalsContact C-N 3.25Å; S96-F98 PolarHBondContact O-N 3.21Å; F98-L100 VanDerWaalsContact C-N 3.29Å; F98-L100 PolarHBondContact O-N 3.32Å; F98-A101 PolarHBondContact O-N 3.03Å; F98-I102 HydrophobicContact CD2-CG1 4.23Å; F98-I102 HydrophobicContact CE1-CG1 4.41Å; F98-I102 HydrophobicContact CE2-CD1 3.8Å; F98-I102 HydrophobicContact CE2-CG1 3.82Å; F98-I102 HydrophobicContact CZ-CD1 4.02Å; F98-I102 HydrophobicContact CZ-CG1 3.91Å; F98-I102 WeakPolarHBondContact O-CG1 3.4Å; F98-I102 PolarHBondContact O-N 2.92Å; F98-Q455 HydrophobicContact CD1-CG 4.11Å; F98-Q455 HydrophobicContact CE1-CB 4.29Å; F98-Q455 HydrophobicContact CE1-CG 3.7Å; F98-I458 HydrophobicContact CE1-CD1 3.82Å; F98-I458 HydrophobicContact CE2-CD1 4.13Å; F98-I458 HydrophobicContact CZ-CD1 3.38Å; F98-I458 HydrophobicContact CZ-CG1 4.48Å |
| 99 | G | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -38.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y97 I102 G103 G342 S346 | Y97-G99 PolarHBondContact O-N 2.64Å; G99-I102 PolarHBondContact O-N 2.81Å; G99-G103 PolarHBondContact O-N 3.27Å; G99-G342 VanDerWaalsContact C-CA 3.46Å; G99-G342 CarbonylContact C-O 3.57Å; G99-G342 WeakPolarHBondContact O-CA 3.38Å; G99-S346 WeakPolarHBondContact CA-OG 3.38Å; G99-S346 PolarHBondContact N-OG 3.26Å |
| 100 | L | 94.5 | Very high | 90.8 | Very high | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.6 | -39.8 | -178.6 | 177.7 | 60.9 | 0 | 0 | 0 | 110.3 | Y97 F98 I102 G103 L104 G342 L343 S346 | Y97-L100 PolarHBondContact O-N 2.87Å; F98-L100 VanDerWaalsContact C-N 3.29Å; F98-L100 PolarHBondContact O-N 3.32Å; L100-I102 VanDerWaalsContact C-N 3.35Å; L100-G103 PolarHBondContact O-N 2.94Å; L100-L104 HydrophobicContact CD1-CD1 4.24Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 HydrophobicContact CG-CG 4.5Å; L100-L104 WeakPolarHBondContact O-CB 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.21Å; L100-L104 PolarHBondContact O-N 3.38Å; L100-G342 PolarHBondContact N-O 3.48Å; L100-L343 HydrophobicContact CD1-CD2 3.61Å; L100-L343 HydrophobicContact CD1-CG 3.88Å; L100-L343 HydrophobicContact CD2-CD2 4.09Å; L100-L343 HydrophobicContact CG-CD2 4.4Å; L100-S346 WeakPolarHBondContact CB-OG 3.34Å; L100-S346 PolarHBondContact N-OG 3.05Å |
| 101 | A | 94.8 | Very high | 91 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V88 F92 Y97 F98 L104 T105 | V88-A101 HydrophobicContact CG1-CB 3.72Å; F92-A101 HydrophobicContact CB-CB 3.96Å; F92-A101 HydrophobicContact CD1-CB 4.09Å; F92-A101 HydrophobicContact CD2-CB 3.89Å; F92-A101 HydrophobicContact CE2-CB 4.42Å; F92-A101 HydrophobicContact CG-CB 3.71Å; Y97-A101 PolarHBondContact O-N 3.47Å; F98-A101 PolarHBondContact O-N 3.03Å; A101-L104 PolarHBondContact O-N 2.94Å; A101-T105 PolarHBondContact O-N 3.28Å; A101-T105 PolarHBondContact O-OG1 3.34Å |
| 102 | I | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.4 | -60.8 | -61 | 0 | 0 | 0 | 111.6 | L85 T89 F98 G99 L100 L104 T105 M106 V451 P454 | L85-I102 HydrophobicContact CD1-CD1 3.65Å; T89-I102 HydrophobicContact CG2-CD1 3.35Å; F98-I102 HydrophobicContact CD2-CG1 4.23Å; F98-I102 HydrophobicContact CE1-CG1 4.41Å; F98-I102 HydrophobicContact CE2-CD1 3.8Å; F98-I102 HydrophobicContact CE2-CG1 3.82Å; F98-I102 HydrophobicContact CZ-CD1 4.02Å; F98-I102 HydrophobicContact CZ-CG1 3.91Å; F98-I102 WeakPolarHBondContact O-CG1 3.4Å; F98-I102 PolarHBondContact O-N 2.92Å; G99-I102 PolarHBondContact O-N 2.81Å; L100-I102 VanDerWaalsContact C-N 3.35Å; I102-L104 VanDerWaalsContact C-N 3.34Å; I102-L104 PolarHBondContact O-N 3.44Å; I102-T105 PolarHBondContact O-N 3.49Å; I102-M106 HydrophobicContact CG2-CG 4.28Å; I102-M106 WeakPolarHBondContact O-CB 3.1Å; I102-M106 VanDerWaalsContact O-CG 3.24Å; I102-M106 WeakPolarHBondContact O-CG 3.35Å; I102-M106 PolarHBondContact O-N 2.99Å; I102-V451 HydrophobicContact CG2-CG1 4.36Å; I102-P454 HydrophobicContact CB-CG 4.44Å; I102-P454 HydrophobicContact CD1-CB 4.37Å; I102-P454 HydrophobicContact CD1-CG 4.01Å; I102-P454 HydrophobicContact CG1-CG 4.11Å; I102-P454 HydrophobicContact CG2-CG 3.49Å; I102-P454 VanDerWaalsContact CG2-CG 3.49Å |
| 103 | G | 96.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.1 | -50.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G99 L100 M106 C107 Q338 | G99-G103 PolarHBondContact O-N 3.27Å; L100-G103 PolarHBondContact O-N 2.94Å; G103-M106 PolarHBondContact O-N 2.77Å; G103-C107 PolarHBondContact O-N 3.36Å; G103-C107 PolarHBondContact O-SG 3.41Å; G103-Q338 VanDerWaalsContact CA-O 3.26Å; G103-Q338 WeakPolarHBondContact CA-O 3.46Å |
| 104 | L | 95.7 | Very high | 90.9 | Very high | 101 Ų | 101 | 41.7 Ų | 41.7 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.9 | -74.6 | 169.7 | 0 | 0 | 0 | 112.9 | L100 A101 I102 M106 C107 L339 | L100-L104 HydrophobicContact CD1-CD1 4.24Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 HydrophobicContact CG-CG 4.5Å; L100-L104 WeakPolarHBondContact O-CB 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.21Å; L100-L104 PolarHBondContact O-N 3.38Å; A101-L104 PolarHBondContact O-N 2.94Å; I102-L104 VanDerWaalsContact C-N 3.34Å; I102-L104 PolarHBondContact O-N 3.44Å; L104-M106 VanDerWaalsContact C-N 3.28Å; L104-M106 PolarHBondContact O-N 3.33Å; L104-C107 WeakPolarHBondContact O-CB 3.08Å; L104-C107 PolarHBondContact O-N 3.13Å; L104-L339 HydrophobicContact CD2-CD2 3.7Å; L104-L339 HydrophobicContact CG-CD2 4.44Å |
| 105 | T | 94.2 | Very high | 91.1 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61 | -40.2 | 175 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | A84 V88 A101 I102 | A84-T105 HydrophobicContact CB-CG2 4.27Å; V88-T105 HydrophobicContact CG2-CG2 4.4Å; V88-T105 WeakPolarHBondContact CG2-OG1 3.42Å; A101-T105 PolarHBondContact O-N 3.28Å; A101-T105 PolarHBondContact O-OG1 3.34Å; I102-T105 PolarHBondContact O-N 3.49Å |
| 106 | M | 94.1 | Very high | 91 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.2 | -26 | -178.8 | -66.5 | -65.3 | 142.5 | 0 | 0 | 113 | Y81 L85 I102 G103 L104 G108 S109 Q338 | Y81-M106 HydrophobicContact CE2-CE 3.63Å; Y81-M106 HydrophobicContact CE2-SD 3.57Å; Y81-M106 VanDerWaalsContact CE2-SD 3.57Å; Y81-M106 VanDerWaalsContact OH-CE 3.27Å; Y81-M106 WeakPolarHBondContact OH-CE 3.18Å; Y81-M106 PolarHBondContact OH-SD 3.29Å; Y81-M106 VanDerWaalsContact OH-SD 3.38Å; L85-M106 HydrophobicContact CB-CE 4Å; L85-M106 HydrophobicContact CD1-CE 3.44Å; L85-M106 VanDerWaalsContact CD1-CE 3.44Å; L85-M106 HydrophobicContact CD2-CE 3.74Å; L85-M106 HydrophobicContact CG-CE 3.9Å; I102-M106 HydrophobicContact CG2-CG 4.28Å; I102-M106 WeakPolarHBondContact O-CB 3.1Å; I102-M106 VanDerWaalsContact O-CG 3.24Å; I102-M106 WeakPolarHBondContact O-CG 3.35Å; I102-M106 PolarHBondContact O-N 2.99Å; G103-M106 PolarHBondContact O-N 2.77Å; L104-M106 VanDerWaalsContact C-N 3.28Å; L104-M106 PolarHBondContact O-N 3.33Å; M106-G108 PolarHBondContact O-N 2.83Å; M106-S109 PolarHBondContact O-N 3.29Å; M106-S109 PolarHBondContact O-OG 3.48Å; M106-Q338 VanDerWaalsContact C-CD 3.46Å; M106-Q338 HydrophobicContact CB-CB 4.32Å; M106-Q338 HydrophobicContact CB-CG 3.87Å; M106-Q338 VanDerWaalsContact O-CD 3.31Å; M106-Q338 PolarHBondContact O-NE2 3Å; M106-Q338 PolarHBondContact O-OE1 3.44Å |
| 107 | C | 94.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.088 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -50 | -30.3 | 179.2 | -73.2 | 0 | 0 | 0 | 0 | 113.9 | G103 L104 S109 G110 V111 L335 L339 | G103-C107 PolarHBondContact O-N 3.36Å; G103-C107 PolarHBondContact O-SG 3.41Å; L104-C107 WeakPolarHBondContact O-CB 3.08Å; L104-C107 PolarHBondContact O-N 3.13Å; C107-S109 PolarHBondContact O-N 3.01Å; C107-G110 PolarHBondContact O-N 3.1Å; C107-V111 PolarHBondContact O-N 3.11Å; C107-L335 HydrophobicContact CB-CD1 3.6Å; C107-L339 WeakPolarHBondContact SG-CD2 3.34Å; C107-L339 WeakPolarHBondContact SG-CG 3.3Å |
| 108 | G | 91.1 | Very high | 90.5 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 53% | 0.526 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -53.3 | -35 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M106 G112 | M106-G108 PolarHBondContact O-N 2.83Å; G108-G112 WeakPolarHBondContact O-CA 3.5Å; G108-G112 PolarHBondContact O-N 2.82Å |
| 109 | S | 90.7 | Very high | 90.3 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72 | -36.9 | 177.4 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | M106 C107 A113 Q338 | M106-S109 PolarHBondContact O-N 3.29Å; M106-S109 PolarHBondContact O-OG 3.48Å; C107-S109 PolarHBondContact O-N 3.01Å; S109-A113 WeakPolarHBondContact O-CB 3.01Å; S109-A113 PolarHBondContact O-N 3.23Å; S109-Q338 PolarHBondContact OG-NE2 3.41Å |
| 110 | G | 90.7 | Very high | 90 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C107 G112 A113 F114 G331 | C107-G110 PolarHBondContact O-N 3.1Å; G110-G112 VanDerWaalsContact C-N 3.32Å; G110-G112 PolarHBondContact O-N 2.86Å; G110-A113 PolarHBondContact O-N 3.1Å; G110-F114 WeakPolarHBondContact O-CB 3.49Å; G110-F114 PolarHBondContact O-N 3.5Å; G110-G331 WeakPolarHBondContact CA-O 3.44Å |
| 111 | V | 91.8 | Very high | 89.5 | Confident | 77 Ų | 77 | 42.4 Ų | 42.4 | 47% | 0.467 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 172.3 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | C107 F114 A115 L335 | C107-V111 PolarHBondContact O-N 3.11Å; V111-F114 PolarHBondContact O-N 3.4Å; V111-A115 VanDerWaalsContact O-CB 3.29Å; V111-A115 WeakPolarHBondContact O-CB 3.42Å; V111-A115 PolarHBondContact O-N 3.44Å; V111-L335 HydrophobicContact CG2-CD1 3.85Å; V111-L335 HydrophobicContact CG2-CD2 4.03Å |
| 112 | G | 88.8 | Confident | 89.1 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 32% | 0.32 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.4 | -62.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G108 G110 F114 A115 S116 | G108-G112 WeakPolarHBondContact O-CA 3.5Å; G108-G112 PolarHBondContact O-N 2.82Å; G110-G112 VanDerWaalsContact C-N 3.32Å; G110-G112 PolarHBondContact O-N 2.86Å; G112-F114 VanDerWaalsContact C-N 3.27Å; G112-F114 PolarHBondContact O-N 2.81Å; G112-A115 PolarHBondContact O-N 3.38Å; G112-S116 WeakPolarHBondContact O-CA 3.45Å; G112-S116 WeakPolarHBondContact O-CB 3.05Å; G112-S116 PolarHBondContact O-N 2.99Å; G112-S116 PolarHBondContact O-OG 3.37Å |
| 113 | A | 86.6 | Confident | 89 | Confident | 13 Ų | 13 | 49 Ų | 49 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.7 | -35 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S109 G110 N117 W295 | S109-A113 WeakPolarHBondContact O-CB 3.01Å; S109-A113 PolarHBondContact O-N 3.23Å; G110-A113 PolarHBondContact O-N 3.1Å; A113-N117 PolarHBondContact O-ND2 2.82Å; A113-N117 PolarHBondContact O-OD1 3.45Å; A113-W295 HydrophobicContact CB-CH2 3.44Å; A113-W295 VanDerWaalsContact CB-CH2 3.44Å; A113-W295 HydrophobicContact CB-CZ2 3.84Å |
| 114 | F | 84 | Confident | 88.7 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 30% | 0.303 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.6 | -53.8 | 176.3 | 179.7 | -105.6 | 0 | 0 | 0 | 111.7 | G110 V111 G112 Y118 W325 F332 | G110-F114 WeakPolarHBondContact O-CB 3.49Å; G110-F114 PolarHBondContact O-N 3.5Å; V111-F114 PolarHBondContact O-N 3.4Å; G112-F114 VanDerWaalsContact C-N 3.27Å; G112-F114 PolarHBondContact O-N 2.81Å; F114-Y118 HydrophobicContact CD2-CE2 4.4Å; F114-Y118 HydrophobicContact CE2-CE2 4.01Å; F114-Y118 HydrophobicContact CZ-CE2 4.2Å; F114-Y118 VanDerWaalsContact O-CD2 3.25Å; F114-Y118 WeakPolarHBondContact O-CD2 3.38Å; F114-W325 HydrophobicContact CE2-CZ3 4.03Å; F114-W325 HydrophobicContact CZ-CZ3 4.42Å; F114-F332 HydrophobicContact CD2-CB 4.17Å |
| 115 | A | 84.8 | Confident | 88.4 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 41% | 0.405 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.1 | -36.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V111 G112 N117 Y118 L119 | V111-A115 VanDerWaalsContact O-CB 3.29Å; V111-A115 WeakPolarHBondContact O-CB 3.42Å; V111-A115 PolarHBondContact O-N 3.44Å; G112-A115 PolarHBondContact O-N 3.38Å; A115-N117 VanDerWaalsContact C-N 3.28Å; A115-N117 PolarHBondContact O-N 3.18Å; A115-Y118 PolarHBondContact O-N 2.99Å; A115-L119 WeakPolarHBondContact O-CB 3.01Å; A115-L119 PolarHBondContact O-N 3.46Å |
| 116 | S | 83.8 | Confident | 88.4 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | -178.5 | 70 | 0 | 0 | 0 | 0 | 111.6 | G112 L119 L120 | G112-S116 WeakPolarHBondContact O-CA 3.45Å; G112-S116 WeakPolarHBondContact O-CB 3.05Å; G112-S116 PolarHBondContact O-N 2.99Å; G112-S116 PolarHBondContact O-OG 3.37Å; S116-L119 PolarHBondContact O-N 3.09Å; S116-L120 VanDerWaalsContact O-CB 3.25Å; S116-L120 WeakPolarHBondContact O-CB 3.15Å; S116-L120 WeakPolarHBondContact O-CG 3Å; S116-L120 PolarHBondContact O-N 3.45Å |
| 117 | N | 79.4 | Confident | 88.3 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 179.6 | -72 | -6.1 | 0 | 0 | 0 | 111.7 | A113 A115 A121 S328 | A113-N117 PolarHBondContact O-ND2 2.82Å; A113-N117 PolarHBondContact O-OD1 3.45Å; A115-N117 VanDerWaalsContact C-N 3.28Å; A115-N117 PolarHBondContact O-N 3.18Å; N117-A121 WeakPolarHBondContact O-CB 3.36Å; N117-A121 PolarHBondContact O-N 3.47Å; N117-S328 PolarHBondContact ND2-OG 2.92Å |
| 118 | Y | 84.3 | Confident | 88.3 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 29% | 0.29 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175.6 | -69.7 | -77.5 | 0 | 0 | 0 | 112.1 | F114 A115 L120 A121 W122 W325 | F114-Y118 HydrophobicContact CD2-CE2 4.4Å; F114-Y118 HydrophobicContact CE2-CE2 4.01Å; F114-Y118 HydrophobicContact CZ-CE2 4.2Å; F114-Y118 VanDerWaalsContact O-CD2 3.25Å; F114-Y118 WeakPolarHBondContact O-CD2 3.38Å; A115-Y118 PolarHBondContact O-N 2.99Å; Y118-L120 PolarHBondContact O-N 3.34Å; Y118-A121 PolarHBondContact O-N 2.87Å; Y118-W122 WeakPolarHBondContact O-CB 3.37Å; Y118-W122 PolarHBondContact O-N 3.37Å; Y118-W325 HydrophobicContact CE1-CH2 4.25Å; Y118-W325 AromaticContact CE1-CZ2 3.95Å; Y118-W325 HydrophobicContact CE1-CZ2 3.95Å; Y118-W325 HydrophobicContact CE2-CH2 4.4Å; Y118-W325 HydrophobicContact CE2-CZ3 4.43Å; Y118-W325 AromaticContact CZ-CH2 3.64Å; Y118-W325 AromaticContact CZ-CZ2 3.72Å; Y118-W325 AromaticContact CZ-CZ3 3.89Å; Y118-W325 WeakPolarHBondContact OH-CH2 3.37Å; Y118-W325 WeakPolarHBondContact OH-CZ2 3.22Å; Y118-W325 WeakPolarHBondContact OH-CZ3 3.27Å |
| 119 | L | 87.4 | Confident | 88.2 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 39% | 0.387 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 178.7 | 179.2 | 61.9 | 0 | 0 | 0 | 110.5 | A115 S116 W122 L123 I139 | A115-L119 WeakPolarHBondContact O-CB 3.01Å; A115-L119 PolarHBondContact O-N 3.46Å; S116-L119 PolarHBondContact O-N 3.09Å; L119-W122 HydrophobicContact CD1-CE3 4.04Å; L119-W122 HydrophobicContact CD1-CZ3 4.27Å; L119-W122 PolarHBondContact O-N 2.77Å; L119-L123 HydrophobicContact CD1-CD1 4.02Å; L119-L123 HydrophobicContact CD1-CG 4.14Å; L119-L123 HydrophobicContact CG-CD1 3.84Å; L119-L123 HydrophobicContact CG-CG 4.36Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 WeakPolarHBondContact O-CG 3.19Å; L119-L123 PolarHBondContact O-N 2.86Å; L119-I139 HydrophobicContact CD2-CD1 4.39Å |
| 120 | L | 86.3 | Confident | 88.3 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 179.3 | -73.3 | 169.3 | 0 | 0 | 0 | 112.1 | S116 Y118 W122 L123 L124 V132 | S116-L120 VanDerWaalsContact O-CB 3.25Å; S116-L120 WeakPolarHBondContact O-CB 3.15Å; S116-L120 WeakPolarHBondContact O-CG 3Å; S116-L120 PolarHBondContact O-N 3.45Å; Y118-L120 PolarHBondContact O-N 3.34Å; L120-W122 VanDerWaalsContact C-N 3.32Å; L120-W122 PolarHBondContact O-N 3.2Å; L120-L123 PolarHBondContact O-N 2.9Å; L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.17Å; L120-L124 VanDerWaalsContact O-CG 3.24Å; L120-L124 WeakPolarHBondContact O-CG 3.11Å; L120-L124 PolarHBondContact O-N 3.32Å; L120-V132 HydrophobicContact CD2-CG1 3.77Å |
| 121 | A | 84.5 | Confident | 88.5 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N117 Y118 S125 | N117-A121 WeakPolarHBondContact O-CB 3.36Å; N117-A121 PolarHBondContact O-N 3.47Å; Y118-A121 PolarHBondContact O-N 2.87Å; A121-S125 PolarHBondContact O-N 2.91Å; A121-S125 VanDerWaalsContact O-N 3.15Å |
| 122 | W | 87.1 | Confident | 88.6 | Confident | 146 Ų | 146 | 65.6 Ų | 65.6 | 55% | 0.553 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 175.6 | 174.5 | 64.8 | 0 | 0 | 0 | 112 | Y118 L119 L120 L124 S125 I126 | Y118-W122 WeakPolarHBondContact O-CB 3.37Å; Y118-W122 PolarHBondContact O-N 3.37Å; L119-W122 HydrophobicContact CD1-CE3 4.04Å; L119-W122 HydrophobicContact CD1-CZ3 4.27Å; L119-W122 PolarHBondContact O-N 2.77Å; L120-W122 VanDerWaalsContact C-N 3.32Å; L120-W122 PolarHBondContact O-N 3.2Å; W122-L124 PolarHBondContact O-N 3.37Å; W122-S125 WeakPolarHBondContact O-CB 3.47Å; W122-S125 PolarHBondContact O-N 3.49Å; W122-S125 VanDerWaalsContact O-N 3.17Å; W122-S125 PolarHBondContact O-OG 3.44Å; W122-I126 HydrophobicContact CZ2-CD1 4.21Å |
| 123 | L | 91.9 | Very high | 88.9 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 178 | -69.5 | 172.6 | 0 | 0 | 0 | 111.6 | L119 L120 S125 I126 W127 V132 | L119-L123 HydrophobicContact CD1-CD1 4.02Å; L119-L123 HydrophobicContact CD1-CG 4.14Å; L119-L123 HydrophobicContact CG-CD1 3.84Å; L119-L123 HydrophobicContact CG-CG 4.36Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 WeakPolarHBondContact O-CG 3.19Å; L119-L123 PolarHBondContact O-N 2.86Å; L120-L123 PolarHBondContact O-N 2.9Å; L123-S125 PolarHBondContact O-N 2.92Å; L123-I126 PolarHBondContact O-N 3.03Å; L123-W127 HydrophobicContact CB-CE3 4.43Å; L123-W127 HydrophobicContact CD2-CE3 3.5Å; L123-W127 VanDerWaalsContact CD2-CE3 3.5Å; L123-W127 HydrophobicContact CD2-CZ3 3.26Å; L123-W127 WeakPolarHBondContact O-CB 3.13Å; L123-W127 PolarHBondContact O-N 2.89Å; L123-V132 HydrophobicContact CB-CG1 4.05Å; L123-V132 HydrophobicContact CB-CG2 3.76Å; L123-V132 HydrophobicContact CD1-CG1 4.18Å |
| 124 | L | 89.9 | Confident | 89.3 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.5 | -17.5 | 178.9 | -70.9 | 169.7 | 0 | 0 | 0 | 113.7 | L120 W122 I126 W127 W129 V132 | L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.17Å; L120-L124 VanDerWaalsContact O-CG 3.24Å; L120-L124 WeakPolarHBondContact O-CG 3.11Å; L120-L124 PolarHBondContact O-N 3.32Å; W122-L124 PolarHBondContact O-N 3.37Å; L124-I126 VanDerWaalsContact C-N 3.28Å; L124-W127 CarbonylContact C-O 3.3Å; L124-W127 WeakPolarHBondContact CA-O 3.32Å; L124-W129 HydrophobicContact CD2-CB 3.98Å; L124-V132 HydrophobicContact CD2-CB 4.08Å; L124-V132 HydrophobicContact CD2-CG1 4.38Å; L124-V132 HydrophobicContact CD2-CG2 3.73Å; L124-V132 HydrophobicContact CG-CG1 4.47Å; L124-V132 HydrophobicContact CG-CG2 4.12Å |
| 125 | S | 90.2 | Very high | 89.8 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -74.3 | -19.6 | 174 | 76.7 | 0 | 0 | 0 | 0 | 113.3 | A121 W122 L123 | A121-S125 PolarHBondContact O-N 2.91Å; A121-S125 VanDerWaalsContact O-N 3.15Å; W122-S125 WeakPolarHBondContact O-CB 3.47Å; W122-S125 PolarHBondContact O-N 3.49Å; W122-S125 VanDerWaalsContact O-N 3.17Å; W122-S125 PolarHBondContact O-OG 3.44Å; L123-S125 PolarHBondContact O-N 2.92Å |
| 126 | I | 93.7 | Very high | 90.2 | Very high | 100 Ų | 100 | 67.4 Ų | 67.4 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -116 | -36.9 | -175.6 | -53.3 | 171.4 | 0 | 0 | 0 | 111 | W122 L123 L124 | W122-I126 HydrophobicContact CZ2-CD1 4.21Å; L123-I126 PolarHBondContact O-N 3.03Å; L124-I126 VanDerWaalsContact C-N 3.28Å |
| 127 | W | 93.6 | Very high | 90.7 | Very high | 105 Ų | 105 | 65.4 Ų | 65.4 | 40% | 0.398 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -118.6 | 154.3 | -173.7 | -68.4 | -45.7 | 0 | 0 | 0 | 112.1 | L123 L124 E131 V132 I135 | L123-W127 HydrophobicContact CB-CE3 4.43Å; L123-W127 HydrophobicContact CD2-CE3 3.5Å; L123-W127 VanDerWaalsContact CD2-CE3 3.5Å; L123-W127 HydrophobicContact CD2-CZ3 3.26Å; L123-W127 WeakPolarHBondContact O-CB 3.13Å; L123-W127 PolarHBondContact O-N 2.89Å; L124-W127 CarbonylContact C-O 3.3Å; L124-W127 WeakPolarHBondContact CA-O 3.32Å; W127-E131 HydrophobicContact CB-CB 3.99Å; W127-E131 HydrophobicContact CG-CB 4.44Å; W127-V132 HydrophobicContact CB-CG2 3.91Å; W127-I135 HydrophobicContact CD2-CD1 3.78Å; W127-I135 HydrophobicContact CE3-CD1 3.2Å; W127-I135 HydrophobicContact CH2-CD1 3.92Å; W127-I135 HydrophobicContact CZ2-CD1 4.42Å; W127-I135 HydrophobicContact CZ3-CD1 3.28Å |
| 128 | T | 92.7 | Very high | 91.5 | Very high | 72 Ų | 72 | 65 Ų | 65 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | trans | -69.4 | 156.6 | 174.3 | 63.4 | 0 | 0 | 0 | 0 | 111 | R130 E131 V132 | T128-R130 PolarHBondContact O-N 3.23Å; T128-E131 PolarHBondContact N-OE2 3.45Å; T128-E131 PolarHBondContact O-N 3.17Å; T128-E131 VanDerWaalsContact OG1-CD 3.3Å; T128-E131 WeakPolarHBondContact OG1-CG 3.11Å; T128-E131 PolarHBondContact OG1-N 3.26Å; T128-E131 PolarHBondContact OG1-OE2 3.41Å; T128-V132 WeakPolarHBondContact O-CG2 3.33Å; T128-V132 PolarHBondContact O-N 2.89Å | ||
| 129 | W | 89.3 | Confident | 91.9 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.6 | -29.7 | 178.1 | 67.6 | -97.7 | 0 | 0 | 0 | 113.4 | D3 F4 L65 L124 L133 | D3-W129 PolarHBondContact OD2-NE1 3.26Å; D3-W129 VanDerWaalsContact OD2-NE1 3.11Å; F4-W129 HydrophobicContact CE2-CZ2 4.18Å; L65-W129 HydrophobicContact CD1-CH2 4.45Å; L65-W129 HydrophobicContact CD2-CZ3 4.36Å; L124-W129 HydrophobicContact CD2-CB 3.98Å; W129-L133 HydrophobicContact CE3-CD1 3.63Å; W129-L133 HydrophobicContact CZ3-CD1 3.67Å; W129-L133 WeakPolarHBondContact O-CG 3.44Å; W129-L133 PolarHBondContact O-N 3.2Å |
| 130 | R | 94 | Very high | 92.1 | Very high | 70 Ų | 70 | 63.4 Ų | 63.4 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 176 | -63.6 | -179.3 | 177.9 | -76.3 | -0.5 | 111.9 | S57 A59 T128 V132 L133 L134 | S57-R130 VanDerWaalsContact CB-O 3.24Å; S57-R130 WeakPolarHBondContact CB-O 3.43Å; S57-R130 WeakPolarHBondContact O-CB 3.49Å; S57-R130 WeakPolarHBondContact O-CG 3.38Å; S57-R130 PolarHBondContact O-NH1 3.32Å; A59-R130 VanDerWaalsContact O-CZ 3.26Å; A59-R130 PolarHBondContact O-NH1 3.41Å; A59-R130 PolarHBondContact O-NH2 3.01Å; T128-R130 PolarHBondContact O-N 3.23Å; R130-V132 VanDerWaalsContact C-N 3.33Å; R130-L133 PolarHBondContact O-N 2.96Å; R130-L134 PolarHBondContact O-N 2.67Å; R130-L134 VanDerWaalsContact O-N 3.15Å |
| 131 | E | 94.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 177.3 | -69.1 | 163.8 | 150.1 | 0 | 0 | 111 | W127 T128 L134 I135 | W127-E131 HydrophobicContact CB-CB 3.99Å; W127-E131 HydrophobicContact CG-CB 4.44Å; T128-E131 PolarHBondContact N-OE2 3.45Å; T128-E131 PolarHBondContact O-N 3.17Å; T128-E131 VanDerWaalsContact OG1-CD 3.3Å; T128-E131 WeakPolarHBondContact OG1-CG 3.11Å; T128-E131 PolarHBondContact OG1-N 3.26Å; T128-E131 PolarHBondContact OG1-OE2 3.41Å; E131-L134 WeakPolarHBondContact O-CB 3.32Å; E131-L134 PolarHBondContact O-N 2.89Å; E131-I135 WeakPolarHBondContact O-CG1 3.38Å; E131-I135 PolarHBondContact O-N 3.39Å |
| 132 | V | 94.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | L120 L123 L124 W127 T128 R130 L134 I135 E136 | L120-V132 HydrophobicContact CD2-CG1 3.77Å; L123-V132 HydrophobicContact CB-CG1 4.05Å; L123-V132 HydrophobicContact CB-CG2 3.76Å; L123-V132 HydrophobicContact CD1-CG1 4.18Å; L124-V132 HydrophobicContact CD2-CB 4.08Å; L124-V132 HydrophobicContact CD2-CG1 4.38Å; L124-V132 HydrophobicContact CD2-CG2 3.73Å; L124-V132 HydrophobicContact CG-CG1 4.47Å; L124-V132 HydrophobicContact CG-CG2 4.12Å; W127-V132 HydrophobicContact CB-CG2 3.91Å; T128-V132 WeakPolarHBondContact O-CG2 3.33Å; T128-V132 PolarHBondContact O-N 2.89Å; R130-V132 VanDerWaalsContact C-N 3.33Å; V132-L134 VanDerWaalsContact C-N 3.26Å; V132-L134 PolarHBondContact O-N 3.38Å; V132-I135 PolarHBondContact O-N 3.37Å; V132-E136 WeakPolarHBondContact O-CB 3.02Å; V132-E136 PolarHBondContact O-N 3.06Å |
| 133 | L | 94.3 | Very high | 92.6 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 174.2 | -76.5 | 174.1 | 0 | 0 | 0 | 112.7 | L69 W129 R130 S137 | L69-L133 HydrophobicContact CD1-CD2 4.48Å; L69-L133 HydrophobicContact CD2-CD2 4.42Å; W129-L133 HydrophobicContact CE3-CD1 3.63Å; W129-L133 HydrophobicContact CZ3-CD1 3.67Å; W129-L133 WeakPolarHBondContact O-CG 3.44Å; W129-L133 PolarHBondContact O-N 3.2Å; R130-L133 PolarHBondContact O-N 2.96Å; L133-S137 WeakPolarHBondContact O-CB 3.33Å; L133-S137 PolarHBondContact O-N 3.29Å |
| 134 | L | 95.5 | Very high | 92.4 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 176.3 | -170 | 150.4 | 0 | 0 | 0 | 110.9 | F54 F58 R130 E131 V132 S137 A138 | F54-L134 HydrophobicContact CE2-CD1 4.46Å; F58-L134 HydrophobicContact CZ-CD1 4.35Å; R130-L134 PolarHBondContact O-N 2.67Å; R130-L134 VanDerWaalsContact O-N 3.15Å; E131-L134 WeakPolarHBondContact O-CB 3.32Å; E131-L134 PolarHBondContact O-N 2.89Å; V132-L134 VanDerWaalsContact C-N 3.26Å; V132-L134 PolarHBondContact O-N 3.38Å; L134-S137 PolarHBondContact O-N 3.24Å; L134-S137 PolarHBondContact O-OG 3.29Å; L134-A138 PolarHBondContact O-N 3.49Å |
| 135 | I | 95.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.1 | -67.1 | 161.1 | 0 | 0 | 0 | 110.8 | W127 E131 V132 S137 A138 I139 | W127-I135 HydrophobicContact CD2-CD1 3.78Å; W127-I135 HydrophobicContact CE3-CD1 3.2Å; W127-I135 HydrophobicContact CH2-CD1 3.92Å; W127-I135 HydrophobicContact CZ2-CD1 4.42Å; W127-I135 HydrophobicContact CZ3-CD1 3.28Å; E131-I135 WeakPolarHBondContact O-CG1 3.38Å; E131-I135 PolarHBondContact O-N 3.39Å; V132-I135 PolarHBondContact O-N 3.37Å; I135-S137 VanDerWaalsContact C-N 3.29Å; I135-S137 PolarHBondContact O-N 2.98Å; I135-A138 WeakPolarHBondContact O-CB 3.45Å; I135-A138 PolarHBondContact O-N 2.95Å; I135-A138 VanDerWaalsContact O-N 3.09Å; I135-I139 HydrophobicContact CG2-CD1 4.02Å; I135-I139 WeakPolarHBondContact O-CG1 3.47Å; I135-I139 PolarHBondContact O-N 3.4Å |
| 136 | E | 92.6 | Very high | 91.7 | Very high | 62 Ų | 62 | 62 Ų | 62 | 29% | 0.29 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 177 | -172.7 | 177.5 | -173.3 | 0 | 0 | 111.2 | V132 A138 I139 L140 | V132-E136 WeakPolarHBondContact O-CB 3.02Å; V132-E136 PolarHBondContact O-N 3.06Å; E136-A138 VanDerWaalsContact C-N 3.29Å; E136-A138 PolarHBondContact O-N 3.24Å; E136-I139 PolarHBondContact O-N 2.93Å; E136-I139 VanDerWaalsContact O-N 3.15Å; E136-L140 HydrophobicContact CG-CD1 4.07Å; E136-L140 HydrophobicContact CG-CG 4.33Å; E136-L140 WeakPolarHBondContact O-CB 3.15Å; E136-L140 VanDerWaalsContact O-CG 3.28Å; E136-L140 WeakPolarHBondContact O-CG 3.04Å; E136-L140 PolarHBondContact O-N 3.4Å |
| 137 | S | 95.1 | Very high | 91 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57 | -43.3 | 174.9 | 81.5 | 0 | 0 | 0 | 0 | 111.7 | L133 L134 I135 L140 L141 | L133-S137 WeakPolarHBondContact O-CB 3.33Å; L133-S137 PolarHBondContact O-N 3.29Å; L134-S137 PolarHBondContact O-N 3.24Å; L134-S137 PolarHBondContact O-OG 3.29Å; I135-S137 VanDerWaalsContact C-N 3.29Å; I135-S137 PolarHBondContact O-N 2.98Å; S137-L140 PolarHBondContact O-N 3.26Å; S137-L141 PolarHBondContact O-N 2.94Å |
| 138 | A | 94.8 | Very high | 90.1 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 44% | 0.438 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L134 I135 E136 L141 N142 | L134-A138 PolarHBondContact O-N 3.49Å; I135-A138 WeakPolarHBondContact O-CB 3.45Å; I135-A138 PolarHBondContact O-N 2.95Å; I135-A138 VanDerWaalsContact O-N 3.09Å; E136-A138 VanDerWaalsContact C-N 3.29Å; E136-A138 PolarHBondContact O-N 3.24Å; A138-L141 PolarHBondContact O-N 3.2Å; A138-N142 PolarHBondContact O-ND2 2.86Å; A138-N142 VanDerWaalsContact O-ND2 3.12Å |
| 139 | I | 92.9 | Very high | 89.5 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 43% | 0.431 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 173.7 | -65.5 | 169.4 | 0 | 0 | 0 | 109.8 | L119 I135 E136 L141 N142 | L119-I139 HydrophobicContact CD2-CD1 4.39Å; I135-I139 HydrophobicContact CG2-CD1 4.02Å; I135-I139 WeakPolarHBondContact O-CG1 3.47Å; I135-I139 PolarHBondContact O-N 3.4Å; E136-I139 PolarHBondContact O-N 2.93Å; E136-I139 VanDerWaalsContact O-N 3.15Å; I139-L141 VanDerWaalsContact C-N 3.25Å; I139-L141 PolarHBondContact O-N 3.01Å; I139-N142 VanDerWaalsContact O-CB 3.27Å; I139-N142 WeakPolarHBondContact O-CB 3.26Å; I139-N142 PolarHBondContact O-N 2.98Å; I139-N142 PolarHBondContact O-ND2 3.42Å; I139-N142 VanDerWaalsContact O-ND2 3.07Å |
| 140 | L | 91.6 | Very high | 89 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -30.2 | 180 | -68.6 | 173 | 0 | 0 | 0 | 112.9 | M49 E136 S137 N142 I143 | M49-L140 HydrophobicContact CB-CD1 4.37Å; M49-L140 HydrophobicContact CE-CD1 4.16Å; M49-L140 HydrophobicContact CE-CD2 3.64Å; M49-L140 HydrophobicContact CE-CG 4.4Å; E136-L140 HydrophobicContact CG-CD1 4.07Å; E136-L140 HydrophobicContact CG-CG 4.33Å; E136-L140 WeakPolarHBondContact O-CB 3.15Å; E136-L140 VanDerWaalsContact O-CG 3.28Å; E136-L140 WeakPolarHBondContact O-CG 3.04Å; E136-L140 PolarHBondContact O-N 3.4Å; S137-L140 PolarHBondContact O-N 3.26Å; L140-N142 PolarHBondContact O-N 2.97Å; L140-N142 VanDerWaalsContact O-N 3.16Å; L140-I143 HydrophobicContact CB-CD1 4.47Å; L140-I143 HydrophobicContact CD2-CD1 3.9Å; L140-I143 WeakPolarHBondContact O-CB 3.22Å; L140-I143 WeakPolarHBondContact O-CD1 3.01Å; L140-I143 WeakPolarHBondContact O-CG1 2.99Å; L140-I143 PolarHBondContact O-N 3.43Å |
| 141 | L | 91 | Very high | 88 | Confident | 58 Ų | 58 | 50 Ų | 50 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.3 | -25.1 | 175.1 | -168.7 | 64.3 | 0 | 0 | 0 | 112.6 | L47 W50 S137 A138 I139 I143 L144 | L47-L141 HydrophobicContact CD2-CD1 4.2Å; W50-L141 HydrophobicContact CB-CB 4.38Å; W50-L141 HydrophobicContact CB-CD1 3.95Å; W50-L141 HydrophobicContact CD2-CD1 4.27Å; W50-L141 HydrophobicContact CG-CB 4.34Å; W50-L141 HydrophobicContact CG-CD1 3.92Å; S137-L141 PolarHBondContact O-N 2.94Å; A138-L141 PolarHBondContact O-N 3.2Å; I139-L141 VanDerWaalsContact C-N 3.25Å; I139-L141 PolarHBondContact O-N 3.01Å; L141-I143 PolarHBondContact O-N 3.38Å; L141-I143 VanDerWaalsContact O-N 3.16Å; L141-L144 HydrophobicContact CD1-CD1 3.55Å; L141-L144 HydrophobicContact CD1-CG 4.27Å; L141-L144 HydrophobicContact CG-CD1 3.98Å; L141-L144 VanDerWaalsContact O-CB 3.32Å; L141-L144 WeakPolarHBondContact O-CB 3.48Å; L141-L144 WeakPolarHBondContact O-CG 3.38Å; L141-L144 PolarHBondContact O-N 3.4Å; L141-L144 VanDerWaalsContact O-N 3.1Å |
| 142 | N | 89.6 | Confident | 86.9 | Confident | 108 Ų | 108 | 48.5 Ų | 48.5 | 58% | 0.578 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.3 | 174.9 | -69.6 | -86.8 | 0 | 0 | 0 | 113.2 | A138 I139 L140 L144 V145 | A138-N142 PolarHBondContact O-ND2 2.86Å; A138-N142 VanDerWaalsContact O-ND2 3.12Å; I139-N142 VanDerWaalsContact O-CB 3.27Å; I139-N142 WeakPolarHBondContact O-CB 3.26Å; I139-N142 PolarHBondContact O-N 2.98Å; I139-N142 PolarHBondContact O-ND2 3.42Å; I139-N142 VanDerWaalsContact O-ND2 3.07Å; L140-N142 PolarHBondContact O-N 2.97Å; L140-N142 VanDerWaalsContact O-N 3.16Å; N142-L144 PolarHBondContact O-N 3.28Å; N142-L144 VanDerWaalsContact O-N 3.12Å; N142-V145 WeakPolarHBondContact O-CB 3.46Å; N142-V145 WeakPolarHBondContact O-CG2 3.4Å; N142-V145 PolarHBondContact O-N 2.6Å |
| 143 | I | 88.3 | Confident | 86 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.4 | 172.5 | -65.1 | 171.1 | 0 | 0 | 0 | 111.2 | A46 M49 T80 L140 L141 V145 T146 | A46-I143 HydrophobicContact CB-CB 3.82Å; A46-I143 HydrophobicContact CB-CG2 3.91Å; M49-I143 HydrophobicContact CE-CD1 4.11Å; M49-I143 HydrophobicContact SD-CD1 3.95Å; T80-I143 HydrophobicContact CG2-CD1 4.49Å; T80-I143 HydrophobicContact CG2-CG2 3.34Å; L140-I143 HydrophobicContact CB-CD1 4.47Å; L140-I143 HydrophobicContact CD2-CD1 3.9Å; L140-I143 WeakPolarHBondContact O-CB 3.22Å; L140-I143 WeakPolarHBondContact O-CD1 3.01Å; L140-I143 WeakPolarHBondContact O-CG1 2.99Å; L140-I143 PolarHBondContact O-N 3.43Å; L141-I143 PolarHBondContact O-N 3.38Å; L141-I143 VanDerWaalsContact O-N 3.16Å; I143-V145 PolarHBondContact O-N 3.15Å; I143-T146 WeakPolarHBondContact O-CA 3.39Å; I143-T146 WeakPolarHBondContact O-CB 3.49Å; I143-T146 PolarHBondContact O-N 3.16Å; I143-T146 PolarHBondContact O-OG1 3.46Å |
| 144 | L | 87.7 | Confident | 84.9 | Confident | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -52.1 | -26.7 | 170.2 | -75 | 173.8 | 0 | 0 | 0 | 113.3 | A43 A46 L47 L141 N142 T146 A147 S148 | A43-L144 HydrophobicContact CB-CD2 4Å; A46-L144 HydrophobicContact CB-CD2 3.94Å; A46-L144 HydrophobicContact CB-CG 3.84Å; L47-L144 HydrophobicContact CG-CD2 4.42Å; L141-L144 HydrophobicContact CD1-CD1 3.55Å; L141-L144 HydrophobicContact CD1-CG 4.27Å; L141-L144 HydrophobicContact CG-CD1 3.98Å; L141-L144 VanDerWaalsContact O-CB 3.32Å; L141-L144 WeakPolarHBondContact O-CB 3.48Å; L141-L144 WeakPolarHBondContact O-CG 3.38Å; L141-L144 PolarHBondContact O-N 3.4Å; L141-L144 VanDerWaalsContact O-N 3.1Å; N142-L144 PolarHBondContact O-N 3.28Å; N142-L144 VanDerWaalsContact O-N 3.12Å; L144-T146 VanDerWaalsContact C-N 3.31Å; L144-T146 PolarHBondContact O-N 3.12Å; L144-A147 WeakPolarHBondContact O-CB 3.35Å; L144-A147 PolarHBondContact O-N 2.94Å; L144-S148 PolarHBondContact O-N 3.29Å |
| 145 | V | 85.3 | Confident | 83.5 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 174 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | N142 I143 S148 | N142-V145 WeakPolarHBondContact O-CB 3.46Å; N142-V145 WeakPolarHBondContact O-CG2 3.4Å; N142-V145 PolarHBondContact O-N 2.6Å; I143-V145 PolarHBondContact O-N 3.15Å; V145-S148 VanDerWaalsContact O-CA 3.3Å; V145-S148 WeakPolarHBondContact O-CA 3.37Å; V145-S148 WeakPolarHBondContact O-CB 3.43Å; V145-S148 PolarHBondContact O-N 3.11Å; V145-S148 PolarHBondContact O-OG 3.11Å |
| 146 | T | 80.6 | Confident | 82.2 | Confident | 66 Ų | 66 | 46 Ų | 46 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 177.8 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | S42 I143 L144 S148 C149 | S42-T146 PolarHBondContact OG-OG1 3.34Å; I143-T146 WeakPolarHBondContact O-CA 3.39Å; I143-T146 WeakPolarHBondContact O-CB 3.49Å; I143-T146 PolarHBondContact O-N 3.16Å; I143-T146 PolarHBondContact O-OG1 3.46Å; L144-T146 VanDerWaalsContact C-N 3.31Å; L144-T146 PolarHBondContact O-N 3.12Å; T146-S148 PolarHBondContact O-N 3.24Å; T146-C149 PolarHBondContact O-N 2.9Å |
| 147 | A | 78.2 | Confident | 81.2 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.7 | -24.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S39 S42 A43 L144 C149 R207 | S39-A147 WeakPolarHBondContact CB-O 3.45Å; S39-A147 VanDerWaalsContact O-CB 3.23Å; S39-A147 WeakPolarHBondContact O-CB 3.23Å; S39-A147 PolarHBondContact OG-O 3.22Å; S42-A147 PolarHBondContact OG-N 3.3Å; A43-A147 HydrophobicContact CB-CB 3.85Å; L144-A147 WeakPolarHBondContact O-CB 3.35Å; L144-A147 PolarHBondContact O-N 2.94Å; A147-C149 VanDerWaalsContact C-N 3.33Å; A147-C149 PolarHBondContact O-N 3.43Å; A147-R207 PolarHBondContact O-NH1 2.87Å |
| 148 | S | 75.3 | Confident | 79.8 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.8 | -33.4 | 177.4 | 92.9 | 0 | 0 | 0 | 0 | 115.4 | L144 V145 T146 R207 | L144-S148 PolarHBondContact O-N 3.29Å; V145-S148 VanDerWaalsContact O-CA 3.3Å; V145-S148 WeakPolarHBondContact O-CA 3.37Å; V145-S148 WeakPolarHBondContact O-CB 3.43Å; V145-S148 PolarHBondContact O-N 3.11Å; V145-S148 PolarHBondContact O-OG 3.11Å; T146-S148 PolarHBondContact O-N 3.24Å; S148-R207 VanDerWaalsContact C-NH2 3.35Å; S148-R207 VanDerWaalsContact CA-NH1 3.3Å; S148-R207 PolarHBondContact O-NH2 3.31Å |
| 149 | C | 79.1 | Confident | 78.4 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 59% | 0.588 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -80 | -29.6 | -173.5 | -58.9 | 0 | 0 | 0 | 0 | 113.6 | T146 A147 H151 H152 | T146-C149 PolarHBondContact O-N 2.9Å; A147-C149 VanDerWaalsContact C-N 3.33Å; A147-C149 PolarHBondContact O-N 3.43Å; C149-H151 VanDerWaalsContact C-N 3.28Å; C149-H151 PolarHBondContact O-N 3.21Å; C149-H152 PolarHBondContact O-CE1 3.46Å; C149-H152 PolarHBondContact O-ND1 3.44Å |
| 150 | S | 79.1 | Confident | 77.3 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.2 | -176 | -51.7 | 0 | 0 | 0 | 0 | 114.1 | H152 L153 D154 | S150-H152 PolarHBondContact O-N 3.19Å; S150-L153 PolarHBondContact O-N 3.29Å; S150-L153 VanDerWaalsContact O-N 3.17Å; S150-D154 PolarHBondContact O-N 3.29Å |
| 151 | H | 73.6 | Confident | 76.1 | Confident | 19 Ų | 19 | 45 Ų | 45 | 9% | 0.088 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | -174.3 | 175.6 | -72.2 | 0 | 0 | 0 | 113.6 | C149 L153 D154 A155 F208 Y211 | C149-H151 VanDerWaalsContact C-N 3.28Å; C149-H151 PolarHBondContact O-N 3.21Å; H151-L153 VanDerWaalsContact C-N 3.27Å; H151-L153 PolarHBondContact O-N 3.35Å; H151-D154 PolarHBondContact O-N 2.71Å; H151-A155 PolarHBondContact O-N 3.17Å; H151-F208 AromaticContact CD2-CE1 3.88Å; H151-F208 AromaticContact NE2-CD1 3.54Å; H151-F208 AromaticContact NE2-CE1 3.67Å; H151-Y211 WeakPolarHBondContact CE1-CB 3.42Å; H151-Y211 AromaticContact CE1-CD1 3.56Å; H151-Y211 AromaticContact CE1-CD2 3.22Å; H151-Y211 WeakPolarHBondContact CE1-CD2 3.3Å; H151-Y211 AromaticContact CE1-CE2 3.79Å; H151-Y211 AromaticContact CE1-CG 3.08Å; H151-Y211 AromaticContact ND1-CD2 3.53Å; H151-Y211 AromaticContact ND1-CE2 3.63Å; H151-Y211 AromaticContact ND1-CG 3.79Å; H151-Y211 AromaticContact ND1-CZ 3.96Å; H151-Y211 AromaticContact NE2-CG 3.96Å |
| 152 | H | 71.4 | Confident | 74.9 | Confident | 59 Ų | 59 | 44.6 Ų | 44.6 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.4 | -28.9 | -178 | 63.2 | -75.4 | 0 | 0 | 0 | 112.4 | Q91 C149 S150 A155 E156 | Q91-H152 PolarHBondContact NE2-NE2 3.35Å; C149-H152 PolarHBondContact O-CE1 3.46Å; C149-H152 PolarHBondContact O-ND1 3.44Å; S150-H152 PolarHBondContact O-N 3.19Å; H152-A155 PolarHBondContact O-N 3.22Å; H152-E156 PolarHBondContact O-N 2.92Å; H152-E156 VanDerWaalsContact O-N 3.08Å |
| 153 | L | 74.3 | Confident | 73.9 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.5 | -41.4 | 175.4 | -67.3 | 102.1 | 0 | 0 | 0 | 111.6 | F38 S87 A90 Q91 S150 H151 A155 E156 L157 | F38-L153 HydrophobicContact CD2-CB 3.93Å; F38-L153 HydrophobicContact CD2-CD2 4.03Å; F38-L153 HydrophobicContact CE2-CB 4.28Å; F38-L153 HydrophobicContact CE2-CD2 4.03Å; S87-L153 VanDerWaalsContact O-CD2 3.24Å; S87-L153 WeakPolarHBondContact O-CD2 3.28Å; A90-L153 HydrophobicContact CB-CD2 4.12Å; Q91-L153 HydrophobicContact CG-CD2 3.65Å; Q91-L153 HydrophobicContact CG-CG 4.22Å; S150-L153 PolarHBondContact O-N 3.29Å; S150-L153 VanDerWaalsContact O-N 3.17Å; H151-L153 VanDerWaalsContact C-N 3.27Å; H151-L153 PolarHBondContact O-N 3.35Å; L153-A155 PolarHBondContact O-N 3.37Å; L153-E156 WeakPolarHBondContact O-CB 3.32Å; L153-E156 PolarHBondContact O-N 3.47Å; L153-E156 VanDerWaalsContact O-N 3.09Å; L153-L157 WeakPolarHBondContact O-CB 3.42Å; L153-L157 PolarHBondContact O-N 3.04Å |
| 154 | D | 71.3 | Confident | 73 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 177 | -70 | 17 | 0 | 0 | 0 | 110.3 | G37 F38 S39 S40 S150 H151 L157 N158 | G37-D154 WeakPolarHBondContact CA-OD1 3.47Å; F38-D154 PolarHBondContact N-OD1 3.18Å; S39-D154 WeakPolarHBondContact CA-OD2 3.48Å; S39-D154 WeakPolarHBondContact CB-OD2 3.18Å; S39-D154 PolarHBondContact N-OD1 2.83Å; S39-D154 VanDerWaalsContact N-OD1 3.13Å; S39-D154 PolarHBondContact N-OD2 3.38Å; S40-D154 PolarHBondContact N-OD2 2.89Å; S150-D154 PolarHBondContact O-N 3.29Å; H151-D154 PolarHBondContact O-N 2.71Å; D154-L157 PolarHBondContact O-N 2.72Å; D154-N158 WeakPolarHBondContact O-CB 3.45Å; D154-N158 PolarHBondContact O-N 3.23Å; D154-N158 PolarHBondContact O-ND2 3.48Å |
| 155 | A | 66.8 | Low | 72.1 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H151 H152 L153 A159 | H151-A155 PolarHBondContact O-N 3.17Å; H152-A155 PolarHBondContact O-N 3.22Å; L153-A155 PolarHBondContact O-N 3.37Å; A155-A159 WeakPolarHBondContact O-CB 3.49Å; A155-A159 PolarHBondContact O-N 2.77Å |
| 156 | E | 68.4 | Low | 71.2 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.5 | -43.8 | 176 | -170.3 | -176.9 | 153 | 0 | 0 | 112.3 | H152 L153 N158 A159 K160 | H152-E156 PolarHBondContact O-N 2.92Å; H152-E156 VanDerWaalsContact O-N 3.08Å; L153-E156 WeakPolarHBondContact O-CB 3.32Å; L153-E156 PolarHBondContact O-N 3.47Å; L153-E156 VanDerWaalsContact O-N 3.09Å; E156-N158 VanDerWaalsContact C-N 3.34Å; E156-N158 PolarHBondContact O-N 2.99Å; E156-A159 PolarHBondContact O-N 3.47Å; E156-K160 WeakPolarHBondContact O-CG 3.16Å; E156-K160 PolarHBondContact O-N 3.1Å; E156-K160 WeakPolarHBondContact OE1-CE 3.38Å; E156-K160 IonicContact OE1-NZ 2.81Å; E156-K160 PolarHBondContact OE1-NZ 3.43Å |
| 157 | L | 70.5 | Confident | 70.6 | Confident | 37 Ų | 37 | 35.6 Ų | 35.6 | 19% | 0.194 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 176 | 179.2 | 65.3 | 0 | 0 | 0 | 111.1 | D34 L153 D154 A159 K160 T161 | D34-L157 WeakPolarHBondContact O-CD2 3.21Å; L153-L157 WeakPolarHBondContact O-CB 3.42Å; L153-L157 PolarHBondContact O-N 3.04Å; D154-L157 PolarHBondContact O-N 2.72Å; L157-A159 PolarHBondContact O-N 3.3Å; L157-K160 PolarHBondContact O-N 3.28Å; L157-T161 PolarHBondContact O-N 2.9Å; L157-T161 PolarHBondContact O-OG1 2.93Å |
| 158 | N | 67.1 | Low | 70.2 | Confident | 40 Ų | 40 | 38.1 Ų | 38.1 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 176 | -75.1 | -34.4 | 0 | 0 | 0 | 111.6 | D154 E156 T161 L162 | D154-N158 WeakPolarHBondContact O-CB 3.45Å; D154-N158 PolarHBondContact O-N 3.23Å; D154-N158 PolarHBondContact O-ND2 3.48Å; E156-N158 VanDerWaalsContact C-N 3.34Å; E156-N158 PolarHBondContact O-N 2.99Å; N158-T161 PolarHBondContact O-N 2.56Å; N158-L162 WeakPolarHBondContact O-CG 3.46Å; N158-L162 PolarHBondContact O-N 3.37Å |
| 159 | A | 65.7 | Low | 69.8 | Low | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A155 E156 L157 T161 L162 V163 L213 I221 F243 | A155-A159 WeakPolarHBondContact O-CB 3.49Å; A155-A159 PolarHBondContact O-N 2.77Å; E156-A159 PolarHBondContact O-N 3.47Å; L157-A159 PolarHBondContact O-N 3.3Å; A159-T161 VanDerWaalsContact C-N 3.33Å; A159-T161 PolarHBondContact O-N 2.97Å; A159-L162 PolarHBondContact O-N 3.25Å; A159-V163 WeakPolarHBondContact O-CG2 3.48Å; A159-V163 PolarHBondContact O-N 3.06Å; A159-V163 VanDerWaalsContact O-N 3.1Å; A159-L213 HydrophobicContact CB-CD1 4.47Å; A159-L213 HydrophobicContact CB-CD2 4.48Å; A159-I221 HydrophobicContact CB-CD1 3.49Å; A159-I221 VanDerWaalsContact CB-CD1 3.49Å; A159-F243 HydrophobicContact CB-CE1 3.9Å; A159-F243 HydrophobicContact CB-CZ 4.26Å |
| 160 | K | 68 | Low | 68.9 | Low | 117 Ų | 117 | 36.9 Ų | 36.9 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 173.4 | -74.4 | 175.7 | -177.1 | 166.5 | 0 | 111.9 | E156 L157 V163 K164 | E156-K160 WeakPolarHBondContact O-CG 3.16Å; E156-K160 PolarHBondContact O-N 3.1Å; E156-K160 WeakPolarHBondContact OE1-CE 3.38Å; E156-K160 IonicContact OE1-NZ 2.81Å; E156-K160 PolarHBondContact OE1-NZ 3.43Å; L157-K160 PolarHBondContact O-N 3.28Å; K160-V163 PolarHBondContact O-N 3.19Å; K160-K164 PolarHBondContact O-N 3.3Å |
| 161 | T | 67 | Low | 68.1 | Low | 13 Ų | 13 | 41.3 Ų | 41.3 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | -179.4 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | L157 N158 A159 V163 K164 H165 F250 | L157-T161 PolarHBondContact O-N 2.9Å; L157-T161 PolarHBondContact O-OG1 2.93Å; N158-T161 PolarHBondContact O-N 2.56Å; A159-T161 VanDerWaalsContact C-N 3.33Å; A159-T161 PolarHBondContact O-N 2.97Å; T161-V163 PolarHBondContact O-N 2.83Å; T161-K164 WeakPolarHBondContact O-CB 3.41Å; T161-K164 PolarHBondContact O-N 3.26Å; T161-H165 PolarHBondContact O-CD2 2.63Å; T161-H165 PolarHBondContact O-N 3.45Å; T161-F250 HydrophobicContact CG2-CE1 4.03Å; T161-F250 HydrophobicContact CG2-CZ 3.65Å |
| 162 | L | 66.4 | Low | 67.3 | Low | 50 Ų | 50 | 46.2 Ų | 46.2 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 173.7 | -72.8 | 171.5 | 0 | 0 | 0 | 111.9 | N158 A159 H165 E166 | N158-L162 WeakPolarHBondContact O-CG 3.46Å; N158-L162 PolarHBondContact O-N 3.37Å; A159-L162 PolarHBondContact O-N 3.25Å; L162-H165 PolarHBondContact O-N 3.13Å; L162-E166 PolarHBondContact O-N 3.33Å |
| 163 | V | 67.9 | Low | 66.4 | Low | 14 Ų | 14 | 48.7 Ų | 48.7 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.6 | 171 | 0 | 0 | 0 | 0 | 111.2 | A159 K160 T161 H165 E166 I167 I221 I238 M241 | A159-V163 WeakPolarHBondContact O-CG2 3.48Å; A159-V163 PolarHBondContact O-N 3.06Å; A159-V163 VanDerWaalsContact O-N 3.1Å; K160-V163 PolarHBondContact O-N 3.19Å; T161-V163 PolarHBondContact O-N 2.83Å; V163-H165 PolarHBondContact O-N 3.43Å; V163-E166 PolarHBondContact O-N 2.97Å; V163-I167 HydrophobicContact CG1-CD1 3.83Å; V163-I167 WeakPolarHBondContact O-CD1 3.3Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.47Å; V163-I167 PolarHBondContact O-N 3.4Å; V163-I167 VanDerWaalsContact O-N 3.12Å; V163-I221 HydrophobicContact CG2-CG2 3.79Å; V163-I238 HydrophobicContact CG1-CD1 3.91Å; V163-I238 HydrophobicContact CG1-CG1 4.25Å; V163-M241 HydrophobicContact CG2-CE 4.39Å; V163-M241 HydrophobicContact CG2-SD 4.29Å |
| 164 | K | 70 | Confident | 65.1 | Low | 61 Ų | 61 | 55.3 Ų | 55.3 | 27% | 0.265 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 176.9 | -178 | -170.4 | 170.7 | -161.4 | 0 | 111.9 | K160 T161 I167 E168 E258 | K160-K164 PolarHBondContact O-N 3.3Å; T161-K164 WeakPolarHBondContact O-CB 3.41Å; T161-K164 PolarHBondContact O-N 3.26Å; K164-I167 PolarHBondContact O-N 3.34Å; K164-E168 WeakPolarHBondContact CE-OE1 3.26Å; K164-E168 WeakPolarHBondContact O-CG 3.18Å; K164-E168 PolarHBondContact O-N 3.46Å; K164-E258 IonicContact NZ-OE1 3.41Å; K164-E258 PolarHBondContact NZ-OE1 3.47Å; K164-E258 IonicContact NZ-OE2 3.98Å; K164-E258 PolarHBondContact NZ-OE2 3.46Å |
| 165 | H | 67.5 | Low | 63.4 | Low | 17 Ų | 17 | 62.9 Ų | 62.9 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 178.1 | -78.1 | -52.1 | 0 | 0 | 0 | 113 | T161 L162 V163 I167 E168 D169 | T161-H165 PolarHBondContact O-CD2 2.63Å; T161-H165 PolarHBondContact O-N 3.45Å; L162-H165 PolarHBondContact O-N 3.13Å; V163-H165 PolarHBondContact O-N 3.43Å; H165-I167 PolarHBondContact O-N 3.38Å; H165-E168 IonicContact CE1-OE2 3.25Å; H165-E168 IonicContact ND1-OE2 3.57Å; H165-E168 PolarHBondContact ND1-OE2 3.4Å; H165-E168 PolarHBondContact O-N 2.93Å; H165-D169 WeakPolarHBondContact O-CB 3.44Å; H165-D169 PolarHBondContact O-N 3.35Å |
| 166 | E | 66.7 | Low | 61.8 | Low | 58 Ų | 58 | 72.4 Ų | 72.4 | 27% | 0.271 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 175.5 | -168.1 | 70.3 | -147.1 | 0 | 0 | 111.5 | L162 V163 T170 R237 M241 | L162-E166 PolarHBondContact O-N 3.33Å; V163-E166 PolarHBondContact O-N 2.97Å; E166-T170 WeakPolarHBondContact O-CG2 3.48Å; E166-T170 PolarHBondContact O-N 2.99Å; E166-T170 PolarHBondContact O-OG1 3.29Å; E166-R237 HydrophobicContact CG-CB 4.31Å; E166-R237 WeakPolarHBondContact OE1-CD 3.48Å; E166-R237 IonicContact OE1-CZ 3.78Å; E166-R237 IonicContact OE1-NE 3.82Å; E166-R237 IonicContact OE1-NH1 2.9Å; E166-R237 PolarHBondContact OE1-NH1 2.85Å; E166-M241 HydrophobicContact CB-CE 3.42Å; E166-M241 VanDerWaalsContact CB-CE 3.42Å; E166-M241 HydrophobicContact CG-CE 3.5Å |
| 167 | I | 67.8 | Low | 60.3 | Low | 22 Ų | 22 | 74.3 Ų | 74.3 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 175.3 | -64.2 | 157.9 | 0 | 0 | 0 | 111.1 | V163 K164 H165 D169 T170 N171 Y230 I238 | V163-I167 HydrophobicContact CG1-CD1 3.83Å; V163-I167 WeakPolarHBondContact O-CD1 3.3Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.47Å; V163-I167 PolarHBondContact O-N 3.4Å; V163-I167 VanDerWaalsContact O-N 3.12Å; K164-I167 PolarHBondContact O-N 3.34Å; H165-I167 PolarHBondContact O-N 3.38Å; I167-D169 VanDerWaalsContact C-N 3.34Å; I167-D169 PolarHBondContact O-N 2.71Å; I167-T170 VanDerWaalsContact C-OG1 3.29Å; I167-T170 VanDerWaalsContact CA-OG1 3.31Å; I167-T170 WeakPolarHBondContact CA-OG1 3.04Å; I167-T170 PolarHBondContact O-N 3.47Å; I167-T170 PolarHBondContact O-OG1 2.96Å; I167-N171 PolarHBondContact O-N 2.98Å; I167-N171 VanDerWaalsContact O-N 3.09Å; I167-N171 PolarHBondContact O-ND2 3.45Å; I167-Y230 HydrophobicContact CD1-CD1 4.16Å; I167-Y230 HydrophobicContact CD1-CD2 4.4Å; I167-Y230 HydrophobicContact CD1-CE1 3.53Å; I167-Y230 HydrophobicContact CD1-CE2 3.8Å; I167-Y230 WeakPolarHBondContact CD1-OH 3.33Å; I167-Y230 HydrophobicContact CG1-CE1 4.36Å; I167-Y230 HydrophobicContact CG2-CE1 4.41Å; I167-I238 HydrophobicContact CD1-CD1 4.46Å; I167-I238 HydrophobicContact CG1-CD1 4.46Å |
| 168 | E | 70.1 | Confident | 58.6 | Low | 57 Ų | 57 | 76.5 Ų | 76.5 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.6 | -73.1 | 174.9 | -179.7 | 0 | 0 | 111.2 | K164 H165 T170 N171 H172 | K164-E168 WeakPolarHBondContact CE-OE1 3.26Å; K164-E168 WeakPolarHBondContact O-CG 3.18Å; K164-E168 PolarHBondContact O-N 3.46Å; H165-E168 IonicContact CE1-OE2 3.25Å; H165-E168 IonicContact ND1-OE2 3.57Å; H165-E168 PolarHBondContact ND1-OE2 3.4Å; H165-E168 PolarHBondContact O-N 2.93Å; E168-T170 VanDerWaalsContact C-N 3.32Å; E168-T170 PolarHBondContact O-N 2.88Å; E168-N171 PolarHBondContact O-N 3.07Å; E168-N171 VanDerWaalsContact O-N 3.08Å; E168-H172 WeakPolarHBondContact O-CB 3.4Å; E168-H172 PolarHBondContact O-CD2 3.49Å; E168-H172 PolarHBondContact O-N 2.85Å |
| 169 | D | 66.5 | Low | 57.1 | Low | 86 Ų | 86 | 83.4 Ų | 83.4 | 46% | 0.46 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 175.7 | -75.4 | -21.2 | 0 | 0 | 0 | 111.8 | H165 I167 N171 H172 Q173 | H165-D169 WeakPolarHBondContact O-CB 3.44Å; H165-D169 PolarHBondContact O-N 3.35Å; I167-D169 VanDerWaalsContact C-N 3.34Å; I167-D169 PolarHBondContact O-N 2.71Å; D169-N171 VanDerWaalsContact C-N 3.34Å; D169-N171 PolarHBondContact O-N 3.39Å; D169-H172 PolarHBondContact O-N 3.29Å; D169-Q173 WeakPolarHBondContact O-CG 3.34Å; D169-Q173 PolarHBondContact O-N 2.97Å |
| 170 | T | 61.7 | Low | 55.9 | Low | 22 Ų | 22 | 86.7 Ų | 86.7 | 14% | 0.135 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 171.3 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | E166 I167 E168 | E166-T170 WeakPolarHBondContact O-CG2 3.48Å; E166-T170 PolarHBondContact O-N 2.99Å; E166-T170 PolarHBondContact O-OG1 3.29Å; I167-T170 VanDerWaalsContact C-OG1 3.29Å; I167-T170 VanDerWaalsContact CA-OG1 3.31Å; I167-T170 WeakPolarHBondContact CA-OG1 3.04Å; I167-T170 PolarHBondContact O-N 3.47Å; I167-T170 PolarHBondContact O-OG1 2.96Å; E168-T170 VanDerWaalsContact C-N 3.32Å; E168-T170 PolarHBondContact O-N 2.88Å |
| 171 | N | 61.6 | Low | 54.4 | Low | 106 Ų | 106 | 87.1 Ų | 87.1 | 57% | 0.567 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -72.7 | -33.9 | 177 | -71.7 | -30.5 | 0 | 0 | 0 | 112.2 | I167 E168 D169 | I167-N171 PolarHBondContact O-N 2.98Å; I167-N171 VanDerWaalsContact O-N 3.09Å; I167-N171 PolarHBondContact O-ND2 3.45Å; E168-N171 PolarHBondContact O-N 3.07Å; E168-N171 VanDerWaalsContact O-N 3.08Å; D169-N171 VanDerWaalsContact C-N 3.34Å; D169-N171 PolarHBondContact O-N 3.39Å |
| 172 | H | 57.4 | Low | 53 | Low | 122 Ų | 122 | 94.4 Ų | 94.4 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -82.8 | -22.8 | -178.8 | -81.9 | -72.7 | 0 | 0 | 0 | 114.4 | E168 D169 N174 K175 | E168-H172 WeakPolarHBondContact O-CB 3.4Å; E168-H172 PolarHBondContact O-CD2 3.49Å; E168-H172 PolarHBondContact O-N 2.85Å; D169-H172 PolarHBondContact O-N 3.29Å; H172-N174 PolarHBondContact O-N 3.21Å; H172-N174 VanDerWaalsContact O-N 3.07Å; H172-K175 CarbonylContact O-C 3.43Å; H172-K175 WeakPolarHBondContact O-CA 3.43Å; H172-K175 PolarHBondContact O-N 3.17Å; H172-K175 VanDerWaalsContact O-O 3.09Å |
| 173 | Q | 51.3 | Low | 51.6 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.5 | 171.5 | -82.4 | -176.7 | -14.1 | 0 | 0 | 113.3 | D169 K175 | D169-Q173 WeakPolarHBondContact O-CG 3.34Å; D169-Q173 PolarHBondContact O-N 2.97Å; Q173-K175 VanDerWaalsContact C-N 3.27Å; Q173-K175 PolarHBondContact O-N 3.31Å |
| 174 | N | 46.9 | Very low | 50.1 | Low | 147 Ų | 147 | 100 Ų | 100 | 79% | 0.786 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.2 | 167.9 | -75.6 | -26.7 | 0 | 0 | 0 | 114.5 | H172 | H172-N174 PolarHBondContact O-N 3.21Å; H172-N174 VanDerWaalsContact O-N 3.07Å |
| 175 | K | 37 | Very low | 48.7 | Very low | 162 Ų | 162 | 104.1 Ų | 104.1 | 70% | 0.704 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -138.9 | 86.2 | 173.9 | -79.6 | -178.3 | 177.8 | 175.2 | 0 | 109.6 | H172 Q173 P177 | H172-K175 CarbonylContact O-C 3.43Å; H172-K175 WeakPolarHBondContact O-CA 3.43Å; H172-K175 PolarHBondContact O-N 3.17Å; H172-K175 VanDerWaalsContact O-O 3.09Å; Q173-K175 VanDerWaalsContact C-N 3.27Å; Q173-K175 PolarHBondContact O-N 3.31Å; K175-P177 VanDerWaalsContact O-CD 3.25Å; K175-P177 WeakPolarHBondContact O-CD 3.42Å |
| 176 | Y | 32.8 | Very low | 47.4 | Very low | 218 Ų | 218 | 107.7 Ų | 107.7 | 86% | 0.855 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 122.6 | 170.8 | -83.9 | -88.2 | 0 | 0 | 0 | 111.1 | ||
| 177 | P | 36.1 | Very low | 46.9 | Very low | 100 Ų | 100 | 108.4 Ų | 108.4 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 141.1 | 159.8 | -3.9 | 22.4 | 0 | 0 | 0 | 109.3 | K175 | K175-P177 VanDerWaalsContact O-CD 3.25Å; K175-P177 WeakPolarHBondContact O-CD 3.42Å |
| 178 | S | 35.1 | Very low | 46.2 | Very low | 83 Ų | 83 | 114 Ų | 114 | 58% | 0.58 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 144.8 | 177.4 | 52 | 0 | 0 | 0 | 0 | 112.1 | A180 D181 | S178-A180 PolarHBondContact O-N 3.49Å; S178-D181 PolarHBondContact O-N 3.35Å; S178-D181 VanDerWaalsContact O-N 3.16Å |
| 179 | E | 35.4 | Very low | 45.2 | Very low | 184 Ų | 184 | 114.8 Ų | 114.8 | 86% | 0.86 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -52.7 | -12.6 | -179.6 | -68.8 | 176.3 | 153.2 | 0 | 0 | 115.4 | L182 | E179-L182 PolarHBondContact O-N 3.47Š|
| 180 | A | 40 | Very low | 44.3 | Very low | 71 Ų | 71 | 116.8 Ų | 116.8 | 59% | 0.587 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -66.9 | -29.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | S178 L182 | S178-A180 PolarHBondContact O-N 3.49Å; A180-L182 VanDerWaalsContact C-N 3.3Å; A180-L182 PolarHBondContact O-N 3.41Å |
| 181 | D | 36.7 | Very low | 43.7 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 67% | 0.668 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -78.9 | -13.2 | -178.9 | -69.4 | -27.6 | 0 | 0 | 0 | 113 | S178 | S178-D181 PolarHBondContact O-N 3.35Å; S178-D181 VanDerWaalsContact O-N 3.16Å |
| 182 | L | 37.4 | Very low | 43.2 | Very low | 167 Ų | 167 | 125.8 Ų | 125.8 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -87.7 | -17.5 | -174.8 | -151.8 | 74.5 | 0 | 0 | 0 | 113.4 | E179 A180 | E179-L182 PolarHBondContact O-N 3.47Å; A180-L182 VanDerWaalsContact C-N 3.3Å; A180-L182 PolarHBondContact O-N 3.41Å |
| 183 | A | 37.4 | Very low | 42.5 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -99.1 | -16.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 184 | S | 37.5 | Very low | 42.4 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | trans | -110.7 | 74.3 | -174.3 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 185 | D | 39.1 | Very low | 42.7 | Very low | 149 Ų | 149 | 121.9 Ų | 121.9 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -157 | 123 | 147 | -104.3 | -24.8 | 0 | 0 | 0 | 113 | ||
| 186 | C | 41.7 | Very low | 43.5 | Very low | 91 Ų | 91 | 117.1 Ų | 117.1 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | trans | -68.3 | 150.1 | -161 | -158.7 | 0 | 0 | 0 | 0 | 114.1 | I188 T189 | C186-I188 PolarHBondContact O-N 3.04Å; C186-T189 PolarHBondContact O-OG1 3.23Å | ||
| 187 | S | 56.4 | Low | 44.3 | Very low | 74 Ų | 74 | 107.3 Ų | 107.3 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.9 | -29.1 | -165 | 59.6 | 0 | 0 | 0 | 0 | 115.9 | Y191 | S187-Y191 WeakPolarHBondContact O-CD2 3.47Å; S187-Y191 PolarHBondContact O-N 3.44Å |
| 188 | I | 52.7 | Low | 45.1 | Very low | 138 Ų | 138 | 107.2 Ų | 107.2 | 71% | 0.708 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -82.1 | -41.4 | -171.8 | -67.4 | 168.3 | 0 | 0 | 0 | 112.3 | C186 K190 Y191 F192 | C186-I188 PolarHBondContact O-N 3.04Å; I188-K190 VanDerWaalsContact C-N 3.31Å; I188-K190 PolarHBondContact O-N 2.87Å; I188-Y191 PolarHBondContact O-N 2.76Å; I188-F192 PolarHBondContact O-N 3.26Å; I188-F192 VanDerWaalsContact O-N 3.11Å |
| 189 | T | 49.2 | Very low | 46.1 | Very low | 75 Ų | 75 | 105.4 Ų | 105.4 | 46% | 0.46 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.1 | -45.8 | 173.5 | 19.8 | 0 | 0 | 0 | 0 | 109.8 | C186 Y191 F192 W193 | C186-T189 PolarHBondContact O-OG1 3.23Å; T189-Y191 VanDerWaalsContact C-N 3.31Å; T189-Y191 PolarHBondContact O-N 2.98Å; T189-F192 PolarHBondContact O-N 3.41Å; T189-W193 WeakPolarHBondContact O-CB 3.37Å; T189-W193 PolarHBondContact O-N 3.26Å |
| 190 | K | 47.8 | Very low | 47.2 | Very low | 128 Ų | 128 | 98.6 Ų | 98.6 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.6 | -38.4 | 177.8 | -146.2 | 172.1 | -171.2 | 169.9 | 0 | 112.9 | I188 N194 | I188-K190 VanDerWaalsContact C-N 3.31Å; I188-K190 PolarHBondContact O-N 2.87Å; K190-N194 WeakPolarHBondContact O-CB 3.07Å; K190-N194 PolarHBondContact O-N 3.04Å; K190-N194 PolarHBondContact O-ND2 3.39Å; K190-N194 VanDerWaalsContact O-ND2 3.11Å |
| 191 | Y | 48.4 | Very low | 47.8 | Very low | 177 Ų | 177 | 96.5 Ų | 96.5 | 69% | 0.694 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.3 | -45.9 | 177.1 | -90 | -105.8 | 0 | 0 | 0 | 113 | S187 I188 T189 W193 N194 L195 | S187-Y191 WeakPolarHBondContact O-CD2 3.47Å; S187-Y191 PolarHBondContact O-N 3.44Å; I188-Y191 PolarHBondContact O-N 2.76Å; T189-Y191 VanDerWaalsContact C-N 3.31Å; T189-Y191 PolarHBondContact O-N 2.98Å; Y191-W193 VanDerWaalsContact C-N 3.34Å; Y191-W193 PolarHBondContact O-N 2.9Å; Y191-N194 PolarHBondContact O-N 3.28Å; Y191-L195 PolarHBondContact O-N 3.48Å; Y191-L195 VanDerWaalsContact O-N 3.14Å |
| 192 | F | 50.7 | Low | 48.9 | Very low | 140 Ų | 140 | 94 Ų | 94 | 61% | 0.614 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 177.7 | -172.3 | -96.8 | 0 | 0 | 0 | 111.4 | I188 T189 L195 | I188-F192 PolarHBondContact O-N 3.26Å; I188-F192 VanDerWaalsContact O-N 3.11Å; T189-F192 PolarHBondContact O-N 3.41Å; F192-L195 WeakPolarHBondContact O-CB 2.97Å; F192-L195 PolarHBondContact O-N 3.43Å |
| 193 | W | 43.1 | Very low | 49.7 | Very low | 134 Ų | 134 | 87.5 Ų | 87.5 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.7 | -31.3 | 178.1 | -72.4 | 112.7 | 0 | 0 | 0 | 113.5 | T189 Y191 L195 I196 P197 | T189-W193 WeakPolarHBondContact O-CB 3.37Å; T189-W193 PolarHBondContact O-N 3.26Å; Y191-W193 VanDerWaalsContact C-N 3.34Å; Y191-W193 PolarHBondContact O-N 2.9Å; W193-L195 VanDerWaalsContact C-N 3.27Å; W193-L195 PolarHBondContact O-N 3.2Å; W193-I196 HydrophobicContact CD2-CD1 4.36Å; W193-I196 HydrophobicContact CE3-CD1 3.58Å; W193-I196 HydrophobicContact CZ3-CD1 3.81Å; W193-I196 PolarHBondContact O-N 3.33Å; W193-P197 WeakPolarHBondContact O-CD 3.29Å |
| 194 | N | 49 | Very low | 50.4 | Low | 71 Ų | 71 | 83.2 Ų | 83.2 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.8 | -24.9 | 170.7 | -76.3 | -21 | 0 | 0 | 0 | 112.9 | K190 Y191 I196 C252 | K190-N194 WeakPolarHBondContact O-CB 3.07Å; K190-N194 PolarHBondContact O-N 3.04Å; K190-N194 PolarHBondContact O-ND2 3.39Å; K190-N194 VanDerWaalsContact O-ND2 3.11Å; Y191-N194 PolarHBondContact O-N 3.28Å; N194-I196 VanDerWaalsContact C-N 3.31Å; N194-I196 PolarHBondContact O-N 3.22Å; N194-C252 VanDerWaalsContact OD1-CB 3.3Å; N194-C252 WeakPolarHBondContact OD1-CB 3.38Å |
| 195 | L | 53.7 | Low | 50.8 | Low | 93 Ų | 93 | 81.9 Ų | 81.9 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.8 | -31.7 | 177 | -129.8 | 89.1 | 0 | 0 | 0 | 111.8 | Y191 F192 W193 L198 C199 | Y191-L195 PolarHBondContact O-N 3.48Å; Y191-L195 VanDerWaalsContact O-N 3.14Å; F192-L195 WeakPolarHBondContact O-CB 2.97Å; F192-L195 PolarHBondContact O-N 3.43Å; W193-L195 VanDerWaalsContact C-N 3.27Å; W193-L195 PolarHBondContact O-N 3.2Å; L195-L198 CarbonylContact O-C 3.58Å; L195-L198 PolarHBondContact O-N 3.36Å; L195-C199 WeakPolarHBondContact O-CB 3.33Å; L195-C199 PolarHBondContact O-N 2.78Å; L195-C199 PolarHBondContact O-SG 3.25Å |
| 196 | I | 53.6 | Low | 51.2 | Low | 61 Ų | 61 | 83.6 Ų | 83.6 | 31% | 0.313 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.2 | -52.5 | -173 | -66.4 | 164.1 | 0 | 0 | 0 | 112 | W193 N194 L198 C199 L200 | W193-I196 HydrophobicContact CD2-CD1 4.36Å; W193-I196 HydrophobicContact CE3-CD1 3.58Å; W193-I196 HydrophobicContact CZ3-CD1 3.81Å; W193-I196 PolarHBondContact O-N 3.33Å; N194-I196 VanDerWaalsContact C-N 3.31Å; N194-I196 PolarHBondContact O-N 3.22Å; I196-L198 VanDerWaalsContact C-N 3.3Å; I196-L198 PolarHBondContact O-N 3.11Å; I196-C199 PolarHBondContact O-N 3.19Å; I196-L200 HydrophobicContact CG2-CD1 4.05Å; I196-L200 WeakPolarHBondContact O-CB 3.26Å; I196-L200 VanDerWaalsContact O-CG 3.26Å; I196-L200 WeakPolarHBondContact O-CG 3.3Å; I196-L200 PolarHBondContact O-N 3.14Å |
| 197 | P | 49.8 | Very low | 51.6 | Low | 13 Ų | 13 | 84.4 Ų | 84.4 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 172.5 | -21.2 | 31.7 | 0 | 0 | 0 | 112.1 | W193 L200 C201 C252 F255 | W193-P197 WeakPolarHBondContact O-CD 3.29Å; P197-L200 PolarHBondContact O-N 3.33Å; P197-C201 WeakPolarHBondContact O-CA 3.47Å; P197-C201 WeakPolarHBondContact O-CB 3.47Å; P197-C201 PolarHBondContact O-N 3.48Å; P197-C201 PolarHBondContact O-SG 3.33Å; P197-C252 HydrophobicContact CG-CB 4.47Å; P197-F255 HydrophobicContact CG-CB 4.31Å; P197-F255 HydrophobicContact CG-CD1 4.28Å; P197-F255 HydrophobicContact CG-CG 4.24Å |
| 198 | L | 52.5 | Low | 51.4 | Low | 97 Ų | 97 | 82.1 Ų | 82.1 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 177.9 | -166.5 | 82.4 | 0 | 0 | 0 | 111.1 | L195 I196 C201 I202 L205 | L195-L198 CarbonylContact O-C 3.58Å; L195-L198 PolarHBondContact O-N 3.36Å; I196-L198 VanDerWaalsContact C-N 3.3Å; I196-L198 PolarHBondContact O-N 3.11Å; L198-C201 CarbonylContact O-C 3.4Å; L198-C201 VanDerWaalsContact O-CA 3.28Å; L198-C201 WeakPolarHBondContact O-CA 3.32Å; L198-C201 WeakPolarHBondContact O-CB 3.29Å; L198-C201 PolarHBondContact O-N 3.34Å; L198-I202 WeakPolarHBondContact O-CG1 3.16Å; L198-I202 PolarHBondContact O-N 3.27Å; L198-L205 HydrophobicContact CD1-CD1 3.51Å; L198-L205 HydrophobicContact CG-CD1 4.06Å |
| 199 | C | 56 | Low | 50.8 | Low | 45 Ų | 45 | 86.5 Ų | 86.5 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.6 | -51 | 176.8 | -77.5 | 0 | 0 | 0 | 0 | 110.9 | W44 L195 I196 C201 I202 | W44-C199 WeakPolarHBondContact CZ2-O 3.14Å; L195-C199 WeakPolarHBondContact O-CB 3.33Å; L195-C199 PolarHBondContact O-N 2.78Å; L195-C199 PolarHBondContact O-SG 3.25Å; I196-C199 PolarHBondContact O-N 3.19Å; C199-C201 PolarHBondContact O-N 3.29Å; C199-I202 HydrophobicContact CB-CD1 4.22Å; C199-I202 VanDerWaalsContact O-CB 3.3Å; C199-I202 WeakPolarHBondContact O-CB 3.15Å; C199-I202 PolarHBondContact O-N 3.3Å |
| 200 | L | 57.8 | Low | 50.3 | Low | 41 Ų | 41 | 91.4 Ų | 91.4 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -53.6 | -40.3 | 171.9 | -68.5 | 171 | 0 | 0 | 0 | 109.7 | Y36 W44 I196 P197 I202 P203 F255 | Y36-L200 HydrophobicContact CD1-CB 4.35Å; Y36-L200 HydrophobicContact CD2-CB 4.12Å; Y36-L200 HydrophobicContact CE1-CB 3.77Å; Y36-L200 WeakPolarHBondContact CE1-O 3.39Å; Y36-L200 HydrophobicContact CE2-CB 3.6Å; Y36-L200 PolarHBondContact OH-O 2.97Å; W44-L200 PolarHBondContact NE1-O 2.96Å; I196-L200 HydrophobicContact CG2-CD1 4.05Å; I196-L200 WeakPolarHBondContact O-CB 3.26Å; I196-L200 VanDerWaalsContact O-CG 3.26Å; I196-L200 WeakPolarHBondContact O-CG 3.3Å; I196-L200 PolarHBondContact O-N 3.14Å; P197-L200 PolarHBondContact O-N 3.33Å; L200-I202 PolarHBondContact O-N 2.98Å; L200-P203 WeakPolarHBondContact O-CD 3.5Å; L200-F255 HydrophobicContact CD1-CZ 4.32Å |
| 201 | C | 54.6 | Low | 50.2 | Low | 28 Ų | 28 | 90 Ų | 90 | 19% | 0.189 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.5 | 173.1 | -82 | 0 | 0 | 0 | 0 | 116.2 | Y36 P197 L198 C199 S204 L205 | Y36-C201 HydrophobicContact CE2-CB 4.37Å; Y36-C201 WeakPolarHBondContact CE2-SG 3.35Å; Y36-C201 WeakPolarHBondContact OH-CA 3.25Å; Y36-C201 PolarHBondContact OH-N 2.89Å; Y36-C201 PolarHBondContact OH-SG 3.07Å; Y36-C201 VanDerWaalsContact OH-SG 3.34Å; P197-C201 WeakPolarHBondContact O-CA 3.47Å; P197-C201 WeakPolarHBondContact O-CB 3.47Å; P197-C201 PolarHBondContact O-N 3.48Å; P197-C201 PolarHBondContact O-SG 3.33Å; L198-C201 CarbonylContact O-C 3.4Å; L198-C201 VanDerWaalsContact O-CA 3.28Å; L198-C201 WeakPolarHBondContact O-CA 3.32Å; L198-C201 WeakPolarHBondContact O-CB 3.29Å; L198-C201 PolarHBondContact O-N 3.34Å; C199-C201 PolarHBondContact O-N 3.29Å; C201-S204 VanDerWaalsContact CA-OG 3.29Å; C201-S204 WeakPolarHBondContact CA-OG 3.24Å; C201-S204 CarbonylContact O-C 3.6Å; C201-S204 PolarHBondContact O-N 2.88Å; C201-S204 VanDerWaalsContact O-N 3.09Å; C201-S204 PolarHBondContact O-OG 3.16Å; C201-L205 HydrophobicContact CB-CD1 3.31Å; C201-L205 HydrophobicContact CB-CG 3.62Å; C201-L205 WeakPolarHBondContact O-CA 3.43Å; C201-L205 WeakPolarHBondContact O-CB 3.3Å; C201-L205 VanDerWaalsContact O-CG 3.28Å; C201-L205 WeakPolarHBondContact O-CG 3.34Å; C201-L205 PolarHBondContact O-N 3.41Å |
| 202 | I | 59.6 | Low | 50.1 | Low | 71 Ų | 71 | 85.9 Ų | 85.9 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.6 | -51.6 | -176.8 | -78.8 | 168.5 | 0 | 0 | 0 | 111.8 | L198 C199 L200 S204 L205 F206 | L198-I202 WeakPolarHBondContact O-CG1 3.16Å; L198-I202 PolarHBondContact O-N 3.27Å; C199-I202 HydrophobicContact CB-CD1 4.22Å; C199-I202 VanDerWaalsContact O-CB 3.3Å; C199-I202 WeakPolarHBondContact O-CB 3.15Å; C199-I202 PolarHBondContact O-N 3.3Å; L200-I202 PolarHBondContact O-N 2.98Å; I202-S204 PolarHBondContact O-N 3.18Å; I202-S204 VanDerWaalsContact O-N 3.11Å; I202-L205 PolarHBondContact O-N 3.14Å; I202-F206 HydrophobicContact CG2-CD2 3.73Å; I202-F206 HydrophobicContact CG2-CE2 3.87Å; I202-F206 WeakPolarHBondContact O-CB 3.36Å; I202-F206 WeakPolarHBondContact O-CD2 3.45Å; I202-F206 PolarHBondContact O-N 3.32Å |
| 203 | P | 53.1 | Low | 50.1 | Low | 31 Ų | 31 | 81.5 Ų | 81.5 | 20% | 0.201 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59 | -30.1 | 179.4 | -23.5 | 34.6 | 0 | 0 | 0 | 112.8 | A43 W44 L47 L200 | A43-P203 HydrophobicContact CB-CB 3.62Å; A43-P203 HydrophobicContact CB-CG 4.28Å; W44-P203 HydrophobicContact CD2-CG 4.47Å; W44-P203 HydrophobicContact CZ2-CG 4.19Å; L47-P203 HydrophobicContact CD1-CG 4.14Å; L200-P203 WeakPolarHBondContact O-CD 3.5Å |
| 204 | S | 51.9 | Low | 50.4 | Low | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.014 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -91.4 | -44.4 | -173.5 | 70.5 | 0 | 0 | 0 | 0 | 110.5 | Y36 S40 C201 I202 F206 R207 F208 | Y36-S204 PolarHBondContact OH-OG 3.1Å; Y36-S204 VanDerWaalsContact OH-OG 3.1Å; S40-S204 WeakPolarHBondContact OG-CB 3.43Å; S40-S204 PolarHBondContact OG-OG 3.5Å; C201-S204 VanDerWaalsContact CA-OG 3.29Å; C201-S204 WeakPolarHBondContact CA-OG 3.24Å; C201-S204 CarbonylContact O-C 3.6Å; C201-S204 PolarHBondContact O-N 2.88Å; C201-S204 VanDerWaalsContact O-N 3.09Å; C201-S204 PolarHBondContact O-OG 3.16Å; I202-S204 PolarHBondContact O-N 3.18Å; I202-S204 VanDerWaalsContact O-N 3.11Å; S204-F206 PolarHBondContact O-N 3.21Å; S204-R207 CarbonylContact O-C 3.57Å; S204-R207 VanDerWaalsContact O-C 3.3Å; S204-R207 VanDerWaalsContact O-CA 3.23Å; S204-R207 WeakPolarHBondContact O-CA 3.16Å; S204-R207 WeakPolarHBondContact O-CB 3.3Å; S204-R207 PolarHBondContact O-N 3.4Å; S204-F208 VanDerWaalsContact O-CB 3.31Å; S204-F208 WeakPolarHBondContact O-CB 3.17Å; S204-F208 WeakPolarHBondContact O-CD2 3.39Å; S204-F208 WeakPolarHBondContact O-CG 3.41Å; S204-F208 PolarHBondContact O-N 3.5Å; S204-F208 WeakPolarHBondContact OG-CE2 3.43Å |
| 205 | L | 47.2 | Very low | 50.4 | Low | 60 Ų | 60 | 80.5 Ų | 80.5 | 31% | 0.314 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 172.2 | -75.4 | 163.7 | 0 | 0 | 0 | 113.9 | L198 C201 I202 R207 F208 L248 | L198-L205 HydrophobicContact CD1-CD1 3.51Å; L198-L205 HydrophobicContact CG-CD1 4.06Å; C201-L205 HydrophobicContact CB-CD1 3.31Å; C201-L205 HydrophobicContact CB-CG 3.62Å; C201-L205 WeakPolarHBondContact O-CA 3.43Å; C201-L205 WeakPolarHBondContact O-CB 3.3Å; C201-L205 VanDerWaalsContact O-CG 3.28Å; C201-L205 WeakPolarHBondContact O-CG 3.34Å; C201-L205 PolarHBondContact O-N 3.41Å; I202-L205 PolarHBondContact O-N 3.14Å; L205-R207 PolarHBondContact O-N 3.27Å; L205-F208 HydrophobicContact CD2-CD2 4.34Å; L205-F208 HydrophobicContact CG-CD2 4.31Å; L205-F208 PolarHBondContact O-N 2.72Å; L205-L248 HydrophobicContact CD2-CD2 4.38Å |
| 206 | F | 46.4 | Very low | 50.2 | Low | 185 Ų | 185 | 78.6 Ų | 78.6 | 81% | 0.811 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21 | 171.6 | -89.5 | -81.7 | 0 | 0 | 0 | 111.8 | I202 S204 | I202-F206 HydrophobicContact CG2-CD2 3.73Å; I202-F206 HydrophobicContact CG2-CE2 3.87Å; I202-F206 WeakPolarHBondContact O-CB 3.36Å; I202-F206 WeakPolarHBondContact O-CD2 3.45Å; I202-F206 PolarHBondContact O-N 3.32Å; S204-F206 PolarHBondContact O-N 3.21Å |
| 207 | R | 50.6 | Low | 50.2 | Low | 108 Ų | 108 | 78.4 Ų | 78.4 | 41% | 0.408 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -24.6 | 178.1 | -159.9 | 162.8 | 165.5 | -113.5 | -18.9 | 113.9 | S39 A147 S148 S204 L205 R209 | S39-R207 PolarHBondContact OG-NH1 2.96Å; A147-R207 PolarHBondContact O-NH1 2.87Å; S148-R207 VanDerWaalsContact C-NH2 3.35Å; S148-R207 VanDerWaalsContact CA-NH1 3.3Å; S148-R207 PolarHBondContact O-NH2 3.31Å; S204-R207 CarbonylContact O-C 3.57Å; S204-R207 VanDerWaalsContact O-C 3.3Å; S204-R207 VanDerWaalsContact O-CA 3.23Å; S204-R207 WeakPolarHBondContact O-CA 3.16Å; S204-R207 WeakPolarHBondContact O-CB 3.3Å; S204-R207 PolarHBondContact O-N 3.4Å; L205-R207 PolarHBondContact O-N 3.27Å; R207-R209 PolarHBondContact O-N 3.48Å |
| 208 | F | 50.8 | Low | 50.6 | Low | 27 Ų | 27 | 78.8 Ų | 78.8 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | trans | -84 | 3.1 | -169.7 | -69.9 | -42.7 | 0 | 0 | 0 | 116 | H151 S204 L205 K210 L248 | H151-F208 AromaticContact CD2-CE1 3.88Å; H151-F208 AromaticContact NE2-CD1 3.54Å; H151-F208 AromaticContact NE2-CE1 3.67Å; S204-F208 VanDerWaalsContact O-CB 3.31Å; S204-F208 WeakPolarHBondContact O-CB 3.17Å; S204-F208 WeakPolarHBondContact O-CD2 3.39Å; S204-F208 WeakPolarHBondContact O-CG 3.41Å; S204-F208 PolarHBondContact O-N 3.5Å; S204-F208 WeakPolarHBondContact OG-CE2 3.43Å; L205-F208 HydrophobicContact CD2-CD2 4.34Å; L205-F208 HydrophobicContact CG-CD2 4.31Å; L205-F208 PolarHBondContact O-N 2.72Å; F208-K210 PolarHBondContact O-N 3.42Å; F208-L248 HydrophobicContact CB-CD2 3.81Å; F208-L248 HydrophobicContact CD1-CD2 4.32Å; F208-L248 HydrophobicContact CD2-CD2 3.27Å; F208-L248 HydrophobicContact CE2-CD2 3.75Å; F208-L248 HydrophobicContact CG-CD2 3.61Å; F208-L248 HydrophobicContact CZ-CD2 4.48Å | ||
| 209 | R | 41.1 | Very low | 50.8 | Low | 230 Ų | 230 | 78.7 Ų | 78.7 | 87% | 0.868 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.7 | -170.2 | -156.9 | 172.2 | -176.9 | 177.1 | 1.9 | 113.8 | R207 | R207-R209 PolarHBondContact O-N 3.48Š|
| 210 | K | 39.4 | Very low | 51 | Low | 178 Ų | 178 | 80.5 Ų | 80.5 | 77% | 0.774 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.9 | 65.1 | -179 | -63.7 | -174.9 | 179.2 | 178.2 | 0 | 114.7 | F208 P212 | F208-K210 PolarHBondContact O-N 3.42Å; K210-P212 WeakPolarHBondContact O-CD 3.45Å |
| 211 | Y | 45.1 | Very low | 51.1 | Low | 99 Ų | 99 | 79.5 Ų | 79.5 | 39% | 0.388 | 39% | 0.392 | S | S | . | . | trans | -100.7 | 105 | 162.1 | -161.4 | -94.8 | 0 | 0 | 0 | 110.7 | H151 L213 | H151-Y211 WeakPolarHBondContact CE1-CB 3.42Å; H151-Y211 AromaticContact CE1-CD1 3.56Å; H151-Y211 AromaticContact CE1-CD2 3.22Å; H151-Y211 WeakPolarHBondContact CE1-CD2 3.3Å; H151-Y211 AromaticContact CE1-CE2 3.79Å; H151-Y211 AromaticContact CE1-CG 3.08Å; H151-Y211 AromaticContact ND1-CD2 3.53Å; H151-Y211 AromaticContact ND1-CE2 3.63Å; H151-Y211 AromaticContact ND1-CG 3.79Å; H151-Y211 AromaticContact ND1-CZ 3.96Å; H151-Y211 AromaticContact NE2-CG 3.96Å; Y211-L213 PolarHBondContact O-N 2.77Å | ||
| 212 | P | 45.8 | Very low | 51.5 | Low | 89 Ų | 89 | 80.7 Ų | 80.7 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 124.6 | 166.2 | 27.4 | -29.5 | 0 | 0 | 0 | 108.2 | K210 L214 | K210-P212 WeakPolarHBondContact O-CD 3.45Å; P212-L214 PolarHBondContact O-N 3.29Å; P212-L214 VanDerWaalsContact O-N 3.1Å |
| 213 | L | 50.3 | Low | 51.5 | Low | 48 Ų | 48 | 80.2 Ų | 80.2 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 121 | 163.8 | -100.2 | 149.4 | 0 | 0 | 0 | 107.7 | A159 Y211 S215 H217 F243 | A159-L213 HydrophobicContact CB-CD1 4.47Å; A159-L213 HydrophobicContact CB-CD2 4.48Å; Y211-L213 PolarHBondContact O-N 2.77Å; L213-S215 PolarHBondContact O-N 3.45Å; L213-H217 HydrophobicContact CD2-CB 4.28Å; L213-F243 HydrophobicContact CD1-CB 3.81Å; L213-F243 HydrophobicContact CD1-CD1 3.41Å; L213-F243 VanDerWaalsContact CD1-CD1 3.41Å; L213-F243 HydrophobicContact CD1-CD2 4.45Å; L213-F243 HydrophobicContact CD1-CE1 4.05Å; L213-F243 HydrophobicContact CD1-CG 3.65Å |
| 214 | L | 49.9 | Very low | 51.9 | Low | 96 Ų | 96 | 83.4 Ų | 83.4 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 132.9 | 177.2 | -133.3 | 83.8 | 0 | 0 | 0 | 108.1 | P212 S216 H217 S218 | P212-L214 PolarHBondContact O-N 3.29Å; P212-L214 VanDerWaalsContact O-N 3.1Å; L214-S216 PolarHBondContact O-N 3.33Å; L214-H217 PolarHBondContact O-N 2.75Å; L214-S218 PolarHBondContact O-N 3.34Å |
| 215 | S | 48.6 | Very low | 52.2 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 62% | 0.622 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.2 | -29.3 | -178.9 | 56.9 | 0 | 0 | 0 | 0 | 113 | L213 S218 N219 | L213-S215 PolarHBondContact O-N 3.45Å; S215-S218 WeakPolarHBondContact CA-OG 2.78Å; S215-S218 PolarHBondContact O-N 2.89Å; S215-S218 PolarHBondContact O-OG 3.15Å; S215-N219 PolarHBondContact O-N 3.14Å; S215-N219 PolarHBondContact O-ND2 3.38Å; S215-N219 PolarHBondContact O-OD1 3.45Å |
| 216 | S | 50.8 | Low | 52.8 | Low | 53 Ų | 53 | 85.6 Ų | 85.6 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.2 | 76.9 | 0 | 0 | 0 | 0 | 112.7 | L214 N219 I220 | L214-S216 PolarHBondContact O-N 3.33Å; S216-N219 WeakPolarHBondContact O-CB 3.45Å; S216-N219 PolarHBondContact O-N 2.87Å; S216-I220 WeakPolarHBondContact O-CG1 3.09Å; S216-I220 PolarHBondContact O-N 3.48Å |
| 217 | H | 53.8 | Low | 53.5 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 26% | 0.264 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.4 | -38.8 | 178.3 | -78.7 | -78.5 | 0 | 0 | 0 | 111.6 | L213 L214 N219 I220 I221 | L213-H217 HydrophobicContact CD2-CB 4.28Å; L214-H217 PolarHBondContact O-N 2.75Å; H217-N219 PolarHBondContact O-N 3.02Å; H217-I220 PolarHBondContact O-N 3.1Å; H217-I221 VanDerWaalsContact O-CG1 3.32Å; H217-I221 WeakPolarHBondContact O-CG1 3.35Å; H217-I221 PolarHBondContact O-N 3.31Å |
| 218 | S | 56.5 | Low | 54 | Low | 21 Ų | 21 | 79.6 Ų | 79.6 | 15% | 0.147 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61 | -36.6 | 172.2 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | L214 S215 K222 | L214-S218 PolarHBondContact O-N 3.34Å; S215-S218 WeakPolarHBondContact CA-OG 2.78Å; S215-S218 PolarHBondContact O-N 2.89Å; S215-S218 PolarHBondContact O-OG 3.15Å; S218-K222 WeakPolarHBondContact O-CB 3.3Å; S218-K222 VanDerWaalsContact O-CG 3.26Å; S218-K222 WeakPolarHBondContact O-CG 3.41Å; S218-K222 PolarHBondContact O-N 3.35Å; S218-K222 VanDerWaalsContact O-N 3.1Å |
| 219 | N | 58.2 | Low | 54.8 | Low | 94 Ų | 94 | 86.4 Ų | 86.4 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.8 | -43.4 | 176.1 | -69 | -12.4 | 0 | 0 | 0 | 111.4 | S215 S216 H217 I221 K222 T223 | S215-N219 PolarHBondContact O-N 3.14Å; S215-N219 PolarHBondContact O-ND2 3.38Å; S215-N219 PolarHBondContact O-OD1 3.45Å; S216-N219 WeakPolarHBondContact O-CB 3.45Å; S216-N219 PolarHBondContact O-N 2.87Å; H217-N219 PolarHBondContact O-N 3.02Å; N219-I221 VanDerWaalsContact C-N 3.35Å; N219-I221 PolarHBondContact O-N 3.17Å; N219-K222 PolarHBondContact O-N 3.36Å; N219-T223 WeakPolarHBondContact O-CG2 3.32Å; N219-T223 PolarHBondContact O-N 3.34Å; N219-T223 PolarHBondContact O-OG1 3.21Å |
| 220 | I | 60 | Low | 55.9 | Low | 83 Ų | 83 | 79.7 Ų | 79.7 | 43% | 0.426 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 177.3 | -68.8 | 164.1 | 0 | 0 | 0 | 111.2 | S216 H217 K222 T223 N224 | S216-I220 WeakPolarHBondContact O-CG1 3.09Å; S216-I220 PolarHBondContact O-N 3.48Å; H217-I220 PolarHBondContact O-N 3.1Å; I220-K222 VanDerWaalsContact C-N 3.34Å; I220-K222 PolarHBondContact O-N 3.13Å; I220-T223 VanDerWaalsContact CA-OG1 3.25Å; I220-T223 WeakPolarHBondContact CA-OG1 3.43Å; I220-T223 PolarHBondContact O-N 3.16Å; I220-T223 PolarHBondContact O-OG1 2.73Å; I220-N224 WeakPolarHBondContact O-CB 3.27Å; I220-N224 VanDerWaalsContact O-CG 3.27Å; I220-N224 PolarHBondContact O-N 3.13Å |
| 221 | I | 59.2 | Low | 57.4 | Low | 21 Ų | 21 | 77.1 Ų | 77.1 | 11% | 0.108 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 178 | -67.5 | 165.3 | 0 | 0 | 0 | 110.4 | A159 V163 H217 N219 N224 A225 F243 | A159-I221 HydrophobicContact CB-CD1 3.49Å; A159-I221 VanDerWaalsContact CB-CD1 3.49Å; V163-I221 HydrophobicContact CG2-CG2 3.79Å; H217-I221 VanDerWaalsContact O-CG1 3.32Å; H217-I221 WeakPolarHBondContact O-CG1 3.35Å; H217-I221 PolarHBondContact O-N 3.31Å; N219-I221 VanDerWaalsContact C-N 3.35Å; N219-I221 PolarHBondContact O-N 3.17Å; I221-N224 PolarHBondContact O-N 3.25Å; I221-A225 WeakPolarHBondContact O-CB 3.43Å; I221-A225 PolarHBondContact O-N 3.09Å; I221-F243 HydrophobicContact CD1-CZ 4.34Å |
| 222 | K | 64.1 | Low | 58.8 | Low | 52 Ų | 52 | 78.6 Ų | 78.6 | 23% | 0.226 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.3 | -71.9 | 179.3 | -174.3 | -162.7 | 0 | 112.2 | S218 N219 I220 N224 A225 E226 N239 | S218-K222 WeakPolarHBondContact O-CB 3.3Å; S218-K222 VanDerWaalsContact O-CG 3.26Å; S218-K222 WeakPolarHBondContact O-CG 3.41Å; S218-K222 PolarHBondContact O-N 3.35Å; S218-K222 VanDerWaalsContact O-N 3.1Å; N219-K222 PolarHBondContact O-N 3.36Å; I220-K222 VanDerWaalsContact C-N 3.34Å; I220-K222 PolarHBondContact O-N 3.13Å; K222-N224 VanDerWaalsContact C-N 3.35Å; K222-N224 PolarHBondContact O-N 3.23Å; K222-A225 CarbonylContact O-C 3.6Å; K222-A225 WeakPolarHBondContact O-CB 3.47Å; K222-A225 PolarHBondContact O-N 3.08Å; K222-E226 WeakPolarHBondContact O-CG 3.31Å; K222-E226 PolarHBondContact O-N 3.4Å; K222-N239 PolarHBondContact NZ-O 2.92Å |
| 223 | T | 58.3 | Low | 60 | Low | 62 Ų | 62 | 78.6 Ų | 78.6 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 176.7 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | N219 I220 A225 E226 N227 | N219-T223 WeakPolarHBondContact O-CG2 3.32Å; N219-T223 PolarHBondContact O-N 3.34Å; N219-T223 PolarHBondContact O-OG1 3.21Å; I220-T223 VanDerWaalsContact CA-OG1 3.25Å; I220-T223 WeakPolarHBondContact CA-OG1 3.43Å; I220-T223 PolarHBondContact O-N 3.16Å; I220-T223 PolarHBondContact O-OG1 2.73Å; T223-A225 VanDerWaalsContact C-N 3.34Å; T223-E226 PolarHBondContact O-N 3.17Å; T223-N227 WeakPolarHBondContact O-CB 3.29Å; T223-N227 PolarHBondContact O-N 2.94Å; T223-N227 PolarHBondContact O-ND2 3.39Å |
| 224 | N | 61.9 | Low | 60.9 | Low | 98 Ų | 98 | 76.7 Ų | 76.7 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 174.4 | -75 | -10.2 | 0 | 0 | 0 | 111.4 | I220 I221 K222 E226 N227 S228 | I220-N224 WeakPolarHBondContact O-CB 3.27Å; I220-N224 VanDerWaalsContact O-CG 3.27Å; I220-N224 PolarHBondContact O-N 3.13Å; I221-N224 PolarHBondContact O-N 3.25Å; K222-N224 VanDerWaalsContact C-N 3.35Å; K222-N224 PolarHBondContact O-N 3.23Å; N224-E226 VanDerWaalsContact C-N 3.35Å; N224-N227 PolarHBondContact O-N 3.05Å; N224-S228 PolarHBondContact O-N 3Å; N224-S228 VanDerWaalsContact O-N 3.16Å; N224-S228 PolarHBondContact O-OG 3.46Å |
| 225 | A | 59.3 | Low | 61.7 | Low | 5 Ų | 5 | 74.8 Ų | 74.8 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I221 K222 T223 S228 Y230 K235 I238 | I221-A225 WeakPolarHBondContact O-CB 3.43Å; I221-A225 PolarHBondContact O-N 3.09Å; K222-A225 CarbonylContact O-C 3.6Å; K222-A225 WeakPolarHBondContact O-CB 3.47Å; K222-A225 PolarHBondContact O-N 3.08Å; T223-A225 VanDerWaalsContact C-N 3.34Å; A225-S228 VanDerWaalsContact CA-OG 3.24Å; A225-S228 WeakPolarHBondContact CA-OG 3.4Å; A225-S228 PolarHBondContact O-OG 2.77Å; A225-Y230 HydrophobicContact CB-CD2 4.48Å; A225-K235 VanDerWaalsContact O-CE 3.28Å; A225-K235 WeakPolarHBondContact O-CE 3.37Å; A225-I238 HydrophobicContact CB-CB 4.34Å; A225-I238 HydrophobicContact CB-CD1 3.78Å; A225-I238 HydrophobicContact CB-CG2 3.67Å |
| 226 | E | 59 | Low | 62.6 | Low | 102 Ų | 102 | 77 Ų | 77 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 173.7 | -75.3 | 177.8 | 169.8 | 0 | 0 | 112.2 | K222 T223 N224 S228 K235 | K222-E226 WeakPolarHBondContact O-CG 3.31Å; K222-E226 PolarHBondContact O-N 3.4Å; T223-E226 PolarHBondContact O-N 3.17Å; N224-E226 VanDerWaalsContact C-N 3.35Å; E226-S228 VanDerWaalsContact C-N 3.32Å; E226-S228 PolarHBondContact O-N 3.35Å; E226-K235 PolarHBondContact O-NZ 2.75Å |
| 227 | N | 61.5 | Low | 63.1 | Low | 136 Ų | 136 | 78 Ų | 78 | 73% | 0.727 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -77.6 | -9.5 | -179.9 | -73.6 | -21.8 | 0 | 0 | 0 | 114.8 | T223 N224 | T223-N227 WeakPolarHBondContact O-CB 3.29Å; T223-N227 PolarHBondContact O-N 2.94Å; T223-N227 PolarHBondContact O-ND2 3.39Å; N224-N227 PolarHBondContact O-N 3.05Å |
| 228 | S | 61.1 | Low | 63.6 | Low | 31 Ų | 31 | 75.5 Ų | 75.5 | 22% | 0.217 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -89.7 | 158.8 | 177.6 | 29.1 | 0 | 0 | 0 | 0 | 111.4 | N224 A225 E226 Y230 K235 | N224-S228 PolarHBondContact O-N 3Å; N224-S228 VanDerWaalsContact O-N 3.16Å; N224-S228 PolarHBondContact O-OG 3.46Å; A225-S228 VanDerWaalsContact CA-OG 3.24Å; A225-S228 WeakPolarHBondContact CA-OG 3.4Å; A225-S228 PolarHBondContact O-OG 2.77Å; E226-S228 VanDerWaalsContact C-N 3.32Å; E226-S228 PolarHBondContact O-N 3.35Å; S228-Y230 PolarHBondContact O-N 3.3Å; S228-Y230 WeakPolarHBondContact OG-CD2 3.43Å; S228-Y230 WeakPolarHBondContact OG-CE2 3.08Å; S228-K235 WeakPolarHBondContact O-CE 3.35Å; S228-K235 PolarHBondContact O-NZ 3.35Å |
| 229 | D | 66.7 | Low | 64.1 | Low | 170 Ų | 170 | 77.4 Ų | 77.4 | 91% | 0.909 | 40% | 0.396 | S | S | * | . | trans | -74.2 | 33.1 | 178.3 | -69.3 | -26.5 | 0 | 0 | 0 | 113 | ||||
| 230 | Y | 63.7 | Low | 64.2 | Low | 90 Ų | 90 | 75.6 Ų | 75.6 | 35% | 0.353 | 40% | 0.4 | S | S | . | . | trans | -74.3 | 146.7 | 176.2 | -65.4 | -41.9 | 0 | 0 | 0 | 111.8 | I167 A225 S228 K235 I238 | I167-Y230 HydrophobicContact CD1-CD1 4.16Å; I167-Y230 HydrophobicContact CD1-CD2 4.4Å; I167-Y230 HydrophobicContact CD1-CE1 3.53Å; I167-Y230 HydrophobicContact CD1-CE2 3.8Å; I167-Y230 WeakPolarHBondContact CD1-OH 3.33Å; I167-Y230 HydrophobicContact CG1-CE1 4.36Å; I167-Y230 HydrophobicContact CG2-CE1 4.41Å; A225-Y230 HydrophobicContact CB-CD2 4.48Å; S228-Y230 PolarHBondContact O-N 3.3Å; S228-Y230 WeakPolarHBondContact OG-CD2 3.43Å; S228-Y230 WeakPolarHBondContact OG-CE2 3.08Å; Y230-K235 WeakPolarHBondContact O-CE 3.36Å; Y230-I238 HydrophobicContact CD2-CD1 4.3Å | ||
| 231 | D | 71.5 | Confident | 64.2 | Low | 124 Ų | 124 | 73.4 Ų | 73.4 | 66% | 0.663 | 39% | 0.388 | S | S | * | . | trans | -63.9 | 155.9 | 172.9 | -71.8 | -26.1 | 0 | 0 | 0 | 111.2 | V233 S234 K235 | D231-V233 VanDerWaalsContact C-N 3.25Å; D231-V233 PolarHBondContact O-N 3.3Å; D231-S234 PolarHBondContact N-OG 3.11Å; D231-S234 PolarHBondContact O-N 3.47Å; D231-S234 VanDerWaalsContact O-N 3.13Å; D231-S234 PolarHBondContact O-OG 2.95Å; D231-K235 PolarHBondContact O-N 3.3Å; D231-K235 VanDerWaalsContact O-N 3.1Å | ||
| 232 | I | 74.4 | Confident | 63.9 | Low | 130 Ų | 130 | 83.5 Ų | 83.5 | 67% | 0.667 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56 | -40.6 | -175.9 | -62.5 | 169.9 | 0 | 0 | 0 | 111.5 | S234 K235 E236 | I232-S234 PolarHBondContact O-N 2.72Å; I232-K235 PolarHBondContact O-N 3.49Å; I232-E236 PolarHBondContact O-N 3.41Å |
| 233 | V | 71.9 | Confident | 63.4 | Low | 88 Ų | 88 | 83.4 Ų | 83.4 | 53% | 0.533 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 180 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | D231 R237 | D231-V233 VanDerWaalsContact C-N 3.25Å; D231-V233 PolarHBondContact O-N 3.3Å; V233-R237 PolarHBondContact O-N 3.09Å |
| 234 | S | 67.8 | Low | 62.7 | Low | 8 Ų | 8 | 83.8 Ų | 83.8 | 6% | 0.056 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 175.1 | 33.9 | 0 | 0 | 0 | 0 | 111.9 | D231 I232 R237 I238 | D231-S234 PolarHBondContact N-OG 3.11Å; D231-S234 PolarHBondContact O-N 3.47Å; D231-S234 VanDerWaalsContact O-N 3.13Å; D231-S234 PolarHBondContact O-OG 2.95Å; I232-S234 PolarHBondContact O-N 2.72Å; S234-R237 PolarHBondContact O-N 3.36Å; S234-I238 WeakPolarHBondContact O-CD1 3.33Å; S234-I238 VanDerWaalsContact O-CG1 3.23Å; S234-I238 WeakPolarHBondContact O-CG1 3.41Å; S234-I238 PolarHBondContact O-N 3.33Å |
| 235 | K | 67.9 | Low | 61.8 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 24% | 0.243 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.5 | -69.8 | -176.4 | 176.4 | -176.7 | 0 | 112.1 | A225 E226 S228 Y230 D231 I232 I238 N239 | A225-K235 VanDerWaalsContact O-CE 3.28Å; A225-K235 WeakPolarHBondContact O-CE 3.37Å; E226-K235 PolarHBondContact O-NZ 2.75Å; S228-K235 WeakPolarHBondContact O-CE 3.35Å; S228-K235 PolarHBondContact O-NZ 3.35Å; Y230-K235 WeakPolarHBondContact O-CE 3.36Å; D231-K235 PolarHBondContact O-N 3.3Å; D231-K235 VanDerWaalsContact O-N 3.1Å; I232-K235 PolarHBondContact O-N 3.49Å; K235-I238 PolarHBondContact O-N 3.46Å; K235-N239 WeakPolarHBondContact O-CB 3.38Å; K235-N239 PolarHBondContact O-N 3.5Å |
| 236 | E | 68 | Low | 60.6 | Low | 136 Ų | 136 | 95.1 Ų | 95.1 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 177.2 | -76 | -175.5 | 170.1 | 0 | 0 | 112.7 | I232 N239 G240 | I232-E236 PolarHBondContact O-N 3.41Å; E236-N239 PolarHBondContact O-N 3.18Å; E236-G240 PolarHBondContact O-N 3.34Å |
| 237 | R | 61.2 | Low | 59.8 | Low | 75 Ų | 75 | 92.8 Ų | 92.8 | 28% | 0.283 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.8 | -75.8 | -163.7 | -151.8 | 179.9 | 5.7 | 112.6 | E166 V233 S234 N239 G240 M241 | E166-R237 HydrophobicContact CG-CB 4.31Å; E166-R237 WeakPolarHBondContact OE1-CD 3.48Å; E166-R237 IonicContact OE1-CZ 3.78Å; E166-R237 IonicContact OE1-NE 3.82Å; E166-R237 IonicContact OE1-NH1 2.9Å; E166-R237 PolarHBondContact OE1-NH1 2.85Å; V233-R237 PolarHBondContact O-N 3.09Å; S234-R237 PolarHBondContact O-N 3.36Å; R237-N239 VanDerWaalsContact C-N 3.26Å; R237-N239 PolarHBondContact O-N 3.39Å; R237-G240 CarbonylContact O-C 3.32Å; R237-G240 WeakPolarHBondContact O-CA 3.38Å; R237-G240 PolarHBondContact O-N 3.47Å; R237-G240 VanDerWaalsContact O-N 3.09Å; R237-M241 WeakPolarHBondContact O-CG 3.47Å; R237-M241 PolarHBondContact O-N 3.5Å |
| 238 | I | 64.7 | Low | 59.1 | Low | 3 Ų | 3 | 89.9 Ų | 89.9 | 2% | 0.015 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 176.5 | -65.9 | 164.6 | 0 | 0 | 0 | 110.4 | V163 I167 A225 Y230 S234 K235 M241 | V163-I238 HydrophobicContact CG1-CD1 3.91Å; V163-I238 HydrophobicContact CG1-CG1 4.25Å; I167-I238 HydrophobicContact CD1-CD1 4.46Å; I167-I238 HydrophobicContact CG1-CD1 4.46Å; A225-I238 HydrophobicContact CB-CB 4.34Å; A225-I238 HydrophobicContact CB-CD1 3.78Å; A225-I238 HydrophobicContact CB-CG2 3.67Å; Y230-I238 HydrophobicContact CD2-CD1 4.3Å; S234-I238 WeakPolarHBondContact O-CD1 3.33Å; S234-I238 VanDerWaalsContact O-CG1 3.23Å; S234-I238 WeakPolarHBondContact O-CG1 3.41Å; S234-I238 PolarHBondContact O-N 3.33Å; K235-I238 PolarHBondContact O-N 3.46Å; I238-M241 HydrophobicContact CG1-CE 4.09Å; I238-M241 WeakPolarHBondContact O-CB 3.04Å; I238-M241 PolarHBondContact O-N 3.06Å |
| 239 | N | 65.4 | Low | 58.2 | Low | 62 Ų | 62 | 93.3 Ų | 93.3 | 33% | 0.332 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 175.3 | -81.1 | -17.6 | 0 | 0 | 0 | 112.9 | K222 K235 E236 R237 | K222-N239 PolarHBondContact NZ-O 2.92Å; K235-N239 WeakPolarHBondContact O-CB 3.38Å; K235-N239 PolarHBondContact O-N 3.5Å; E236-N239 PolarHBondContact O-N 3.18Å; R237-N239 VanDerWaalsContact C-N 3.26Å; R237-N239 PolarHBondContact O-N 3.39Å |
| 240 | G | 60.3 | Low | 57.3 | Low | 56 Ų | 56 | 87.9 Ų | 87.9 | 58% | 0.577 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -75.1 | -14.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E236 R237 R242 | E236-G240 PolarHBondContact O-N 3.34Å; R237-G240 CarbonylContact O-C 3.32Å; R237-G240 WeakPolarHBondContact O-CA 3.38Å; R237-G240 PolarHBondContact O-N 3.47Å; R237-G240 VanDerWaalsContact O-N 3.09Å; G240-R242 PolarHBondContact O-N 3.18Å |
| 241 | M | 60.5 | Low | 56.6 | Low | 37 Ų | 37 | 84.9 Ų | 84.9 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | trans | -58.2 | 111.8 | 176.9 | -74.2 | -175.5 | -164.1 | 0 | 0 | 110.3 | V163 E166 R237 I238 F243 | V163-M241 HydrophobicContact CG2-CE 4.39Å; V163-M241 HydrophobicContact CG2-SD 4.29Å; E166-M241 HydrophobicContact CB-CE 3.42Å; E166-M241 VanDerWaalsContact CB-CE 3.42Å; E166-M241 HydrophobicContact CG-CE 3.5Å; R237-M241 WeakPolarHBondContact O-CG 3.47Å; R237-M241 PolarHBondContact O-N 3.5Å; I238-M241 HydrophobicContact CG1-CE 4.09Å; I238-M241 WeakPolarHBondContact O-CB 3.04Å; I238-M241 PolarHBondContact O-N 3.06Å; M241-F243 PolarHBondContact O-N 3.21Å | ||
| 242 | R | 52.9 | Low | 55.7 | Low | 232 Ų | 232 | 79.8 Ų | 79.8 | 88% | 0.875 | 41% | 0.414 | S | S | * | . | trans | -82.3 | 105.3 | 157.9 | -72.4 | -175.7 | -177.6 | 177.2 | 2.1 | 106.7 | G240 S244 | G240-R242 PolarHBondContact O-N 3.18Å; R242-S244 PolarHBondContact O-N 3Å | ||
| 243 | F | 54.3 | Low | 55.1 | Low | 51 Ų | 51 | 77.7 Ų | 77.7 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | trans | -63.3 | 77.7 | 162.4 | -69.3 | -76.5 | 0 | 0 | 0 | 108.5 | A159 L213 I221 M241 | A159-F243 HydrophobicContact CB-CE1 3.9Å; A159-F243 HydrophobicContact CB-CZ 4.26Å; L213-F243 HydrophobicContact CD1-CB 3.81Å; L213-F243 HydrophobicContact CD1-CD1 3.41Å; L213-F243 VanDerWaalsContact CD1-CD1 3.41Å; L213-F243 HydrophobicContact CD1-CD2 4.45Å; L213-F243 HydrophobicContact CD1-CE1 4.05Å; L213-F243 HydrophobicContact CD1-CG 3.65Å; I221-F243 HydrophobicContact CD1-CZ 4.34Å; M241-F243 PolarHBondContact O-N 3.21Å | ||
| 244 | S | 43 | Very low | 54.8 | Low | 69 Ų | 69 | 77 Ų | 77 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | trans | -87.4 | 148.6 | 174.9 | 83 | 0 | 0 | 0 | 0 | 109.3 | R242 R246 S247 | R242-S244 PolarHBondContact O-N 3Å; S244-R246 PolarHBondContact O-N 3.47Å; S244-S247 PolarHBondContact O-N 3.33Å | ||
| 245 | N | 43.5 | Very low | 54.9 | Low | 116 Ų | 116 | 77.9 Ų | 77.9 | 62% | 0.62 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -3.7 | -179.8 | -67.9 | -17.6 | 0 | 0 | 0 | 116 | ||
| 246 | R | 33.9 | Very low | 55.2 | Low | 225 Ų | 225 | 79.5 Ų | 79.5 | 85% | 0.849 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -7.9 | -178.2 | -95.3 | -175.4 | 177.7 | -179.7 | -0.3 | 115.1 | S244 L248 | S244-R246 PolarHBondContact O-N 3.47Å; R246-L248 VanDerWaalsContact C-N 3.3Å; R246-L248 PolarHBondContact O-N 2.81Å |
| 247 | S | 42.3 | Very low | 55.7 | Low | 54 Ų | 54 | 78.1 Ų | 78.1 | 38% | 0.378 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 8.3 | -174.1 | 65.4 | 0 | 0 | 0 | 0 | 115.8 | S244 S249 | S244-S247 PolarHBondContact O-N 3.33Å; S247-S249 VanDerWaalsContact C-N 3.26Å; S247-S249 PolarHBondContact O-N 2.9Å |
| 248 | L | 46.5 | Very low | 56.6 | Low | 75 Ų | 75 | 75.3 Ų | 75.3 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.1 | -179.5 | -111.8 | 105.7 | 0 | 0 | 0 | 114.9 | L205 F208 R246 F250 | L205-L248 HydrophobicContact CD2-CD2 4.38Å; F208-L248 HydrophobicContact CB-CD2 3.81Å; F208-L248 HydrophobicContact CD1-CD2 4.32Å; F208-L248 HydrophobicContact CD2-CD2 3.27Å; F208-L248 HydrophobicContact CE2-CD2 3.75Å; F208-L248 HydrophobicContact CG-CD2 3.61Å; F208-L248 HydrophobicContact CZ-CD2 4.48Å; R246-L248 VanDerWaalsContact C-N 3.3Å; R246-L248 PolarHBondContact O-N 2.81Å; L248-F250 PolarHBondContact O-N 3.14Å |
| 249 | S | 41.8 | Very low | 57.6 | Low | 102 Ų | 102 | 77.5 Ų | 77.5 | 71% | 0.713 | 41% | 0.407 | S | S | * | . | trans | -88.4 | 76.1 | 173.4 | 66.8 | 0 | 0 | 0 | 0 | 110.4 | S247 G251 | S247-S249 VanDerWaalsContact C-N 3.26Å; S247-S249 PolarHBondContact O-N 2.9Å; S249-G251 PolarHBondContact O-N 3.33Å | ||
| 250 | F | 48.5 | Very low | 58.7 | Low | 56 Ų | 56 | 77 Ų | 77 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | trans | -56.3 | 120.2 | 160.5 | -102.1 | -93.1 | 0 | 0 | 0 | 108 | T161 L248 Q254 | T161-F250 HydrophobicContact CG2-CE1 4.03Å; T161-F250 HydrophobicContact CG2-CZ 3.65Å; L248-F250 PolarHBondContact O-N 3.14Å; F250-Q254 HydrophobicContact CD1-CB 3.69Å; F250-Q254 HydrophobicContact CE1-CB 4.06Å | ||
| 251 | G | 49 | Very low | 60.1 | Low | 28 Ų | 28 | 76.3 Ų | 76.3 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | trans | -66.8 | 145.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S249 P253 Q254 F255 | S249-G251 PolarHBondContact O-N 3.33Å; G251-P253 VanDerWaalsContact C-N 3.3Å; G251-Q254 WeakPolarHBondContact O-CB 3.42Å; G251-Q254 PolarHBondContact O-N 3.3Å; G251-F255 PolarHBondContact O-N 3.25Å | ||
| 252 | C | 52.3 | Low | 61.5 | Low | 16 Ų | 16 | 74.6 Ų | 74.6 | 11% | 0.108 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -45.5 | -43.3 | 171.7 | -178.3 | 0 | 0 | 0 | 0 | 114.6 | N194 P197 Q254 F255 L256 | N194-C252 VanDerWaalsContact OD1-CB 3.3Å; N194-C252 WeakPolarHBondContact OD1-CB 3.38Å; P197-C252 HydrophobicContact CG-CB 4.47Å; C252-Q254 VanDerWaalsContact C-N 3.3Å; C252-Q254 PolarHBondContact O-N 2.73Å; C252-F255 PolarHBondContact O-N 2.92Å; C252-L256 WeakPolarHBondContact O-CB 3.48Å; C252-L256 PolarHBondContact O-N 3.02Å |
| 253 | P | 62 | Low | 63.5 | Low | 86 Ų | 86 | 66.4 Ų | 66.4 | 56% | 0.558 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.4 | -37.1 | 178.7 | 20.2 | -32.4 | 0 | 0 | 0 | 113.2 | G251 L256 Q257 | G251-P253 VanDerWaalsContact C-N 3.3Å; P253-L256 PolarHBondContact O-N 3.2Å; P253-Q257 WeakPolarHBondContact O-CB 3.49Å; P253-Q257 PolarHBondContact O-N 3.12Å |
| 254 | Q | 65.8 | Low | 65.4 | Low | 73 Ų | 73 | 70.8 Ų | 70.8 | 34% | 0.341 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68 | -42.6 | 176.9 | -68.7 | 169 | -23.7 | 0 | 0 | 111.2 | F250 G251 C252 Q257 E258 | F250-Q254 HydrophobicContact CD1-CB 3.69Å; F250-Q254 HydrophobicContact CE1-CB 4.06Å; G251-Q254 WeakPolarHBondContact O-CB 3.42Å; G251-Q254 PolarHBondContact O-N 3.3Å; C252-Q254 VanDerWaalsContact C-N 3.3Å; C252-Q254 PolarHBondContact O-N 2.73Å; Q254-Q257 PolarHBondContact O-N 3.43Å; Q254-E258 WeakPolarHBondContact O-CB 3.38Å; Q254-E258 PolarHBondContact O-N 3.01Å |
| 255 | F | 69.3 | Low | 67.9 | Low | 27 Ų | 27 | 71.1 Ų | 71.1 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.8 | -51 | 173.9 | 168.9 | -94.5 | 0 | 0 | 0 | 111.5 | L32 T35 P197 L200 G251 C252 Q257 E258 F259 | L32-F255 HydrophobicContact CD1-CZ 4.25Å; T35-F255 HydrophobicContact CG2-CD2 3.55Å; T35-F255 HydrophobicContact CG2-CE2 3.68Å; T35-F255 HydrophobicContact CG2-CG 4.47Å; P197-F255 HydrophobicContact CG-CB 4.31Å; P197-F255 HydrophobicContact CG-CD1 4.28Å; P197-F255 HydrophobicContact CG-CG 4.24Å; L200-F255 HydrophobicContact CD1-CZ 4.32Å; G251-F255 PolarHBondContact O-N 3.25Å; C252-F255 PolarHBondContact O-N 2.92Å; F255-Q257 VanDerWaalsContact C-N 3.26Å; F255-Q257 PolarHBondContact O-N 3.23Å; F255-E258 PolarHBondContact O-N 3.13Å; F255-F259 HydrophobicContact CE1-CB 4.35Å; F255-F259 HydrophobicContact CZ-CB 4.23Å; F255-F259 HydrophobicContact CZ-CG 4.47Å; F255-F259 VanDerWaalsContact O-CB 3.29Å; F255-F259 WeakPolarHBondContact O-CB 3.22Å; F255-F259 PolarHBondContact O-N 3Å |
| 256 | L | 74.6 | Confident | 70.4 | Confident | 90 Ų | 90 | 65.9 Ų | 65.9 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | -177.6 | -172.6 | 66.2 | 0 | 0 | 0 | 110.6 | C252 P253 T260 | C252-L256 WeakPolarHBondContact O-CB 3.48Å; C252-L256 PolarHBondContact O-N 3.02Å; P253-L256 PolarHBondContact O-N 3.2Å; L256-T260 WeakPolarHBondContact O-CB 3.38Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 3.11Å |
| 257 | Q | 78.3 | Confident | 73.3 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 175.3 | -176.8 | 176.2 | -8.1 | 0 | 0 | 111.9 | P253 Q254 F255 T260 S261 | P253-Q257 WeakPolarHBondContact O-CB 3.49Å; P253-Q257 PolarHBondContact O-N 3.12Å; Q254-Q257 PolarHBondContact O-N 3.43Å; F255-Q257 VanDerWaalsContact C-N 3.26Å; F255-Q257 PolarHBondContact O-N 3.23Å; Q257-T260 PolarHBondContact O-N 3.02Å; Q257-S261 VanDerWaalsContact O-CB 3.28Å; Q257-S261 WeakPolarHBondContact O-CB 3.47Å; Q257-S261 PolarHBondContact O-N 3.45Å |
| 258 | E | 80.5 | Confident | 75.9 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.7 | -41.3 | -178.6 | -167.5 | 62.2 | -159.4 | 0 | 0 | 111.7 | T35 K164 Q254 F255 T260 S261 N262 | T35-E258 HydrophobicContact CG2-CB 4.02Å; T35-E258 HydrophobicContact CG2-CG 4.22Å; K164-E258 IonicContact NZ-OE1 3.41Å; K164-E258 PolarHBondContact NZ-OE1 3.47Å; K164-E258 IonicContact NZ-OE2 3.98Å; K164-E258 PolarHBondContact NZ-OE2 3.46Å; Q254-E258 WeakPolarHBondContact O-CB 3.38Å; Q254-E258 PolarHBondContact O-N 3.01Å; F255-E258 PolarHBondContact O-N 3.13Å; E258-T260 PolarHBondContact O-N 3.01Å; E258-S261 WeakPolarHBondContact O-CB 3.28Å; E258-S261 PolarHBondContact O-N 3.29Å; E258-N262 WeakPolarHBondContact O-CB 3.38Å; E258-N262 PolarHBondContact O-N 3.3Å; E258-N262 PolarHBondContact O-ND2 3.31Å |
| 259 | F | 85.4 | Confident | 78.2 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 22% | 0.219 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 171.8 | 178.4 | -104.5 | 0 | 0 | 0 | 111.2 | P31 L32 T35 F255 S261 N262 F263 | P31-F259 HydrophobicContact CB-CD2 4.36Å; P31-F259 HydrophobicContact CB-CE2 4.1Å; L32-F259 HydrophobicContact CB-CE2 4.16Å; L32-F259 HydrophobicContact CD1-CE2 4.45Å; T35-F259 HydrophobicContact CG2-CB 4.13Å; T35-F259 WeakPolarHBondContact OG1-CA 3.3Å; F255-F259 HydrophobicContact CE1-CB 4.35Å; F255-F259 HydrophobicContact CZ-CB 4.23Å; F255-F259 HydrophobicContact CZ-CG 4.47Å; F255-F259 VanDerWaalsContact O-CB 3.29Å; F255-F259 WeakPolarHBondContact O-CB 3.22Å; F255-F259 PolarHBondContact O-N 3Å; F259-S261 VanDerWaalsContact C-N 3.3Å; F259-S261 PolarHBondContact O-N 3.45Å; F259-N262 PolarHBondContact O-N 3.48Å; F259-F263 HydrophobicContact CZ-CD2 4.19Å; F259-F263 WeakPolarHBondContact O-CB 3.28Å; F259-F263 PolarHBondContact O-N 3.05Å |
| 260 | T | 88.5 | Confident | 80.6 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 177 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | L256 Q257 E258 K264 | L256-T260 WeakPolarHBondContact O-CB 3.38Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 3.11Å; Q257-T260 PolarHBondContact O-N 3.02Å; E258-T260 PolarHBondContact O-N 3.01Å; T260-K264 HydrophobicContact CG2-CD 4.18Å; T260-K264 HydrophobicContact CG2-CG 4.44Å; T260-K264 WeakPolarHBondContact O-CB 3.44Å; T260-K264 WeakPolarHBondContact O-CG 2.9Å; T260-K264 PolarHBondContact O-N 3Å |
| 261 | S | 89 | Confident | 82.9 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -51.5 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | Q257 E258 F259 F263 K264 R265 | Q257-S261 VanDerWaalsContact O-CB 3.28Å; Q257-S261 WeakPolarHBondContact O-CB 3.47Å; Q257-S261 PolarHBondContact O-N 3.45Å; E258-S261 WeakPolarHBondContact O-CB 3.28Å; E258-S261 PolarHBondContact O-N 3.29Å; F259-S261 VanDerWaalsContact C-N 3.3Å; F259-S261 PolarHBondContact O-N 3.45Å; S261-F263 VanDerWaalsContact C-N 3.32Å; S261-F263 PolarHBondContact O-N 3.14Å; S261-K264 PolarHBondContact O-N 3.3Å; S261-R265 PolarHBondContact O-N 3.07Å |
| 262 | N | 91 | Very high | 85.1 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.011 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 178 | -71.9 | -32.7 | 0 | 0 | 0 | 111.9 | P31 D34 T35 E258 F259 R265 | P31-N262 HydrophobicContact CB-CB 3.87Å; D34-N262 HydrophobicContact CB-CB 4.46Å; T35-N262 PolarHBondContact OG1-ND2 3.26Å; T35-N262 VanDerWaalsContact OG1-ND2 3.13Å; E258-N262 WeakPolarHBondContact O-CB 3.38Å; E258-N262 PolarHBondContact O-N 3.3Å; E258-N262 PolarHBondContact O-ND2 3.31Å; F259-N262 PolarHBondContact O-N 3.48Å; N262-R265 WeakPolarHBondContact O-CB 3.29Å; N262-R265 PolarHBondContact O-N 2.86Å; N262-R265 PolarHBondContact OD1-NH1 3.43Å; N262-R265 VanDerWaalsContact OD1-NH1 3.11Å |
| 263 | F | 94.3 | Very high | 87.2 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 175.7 | -166.2 | -97.7 | 0 | 0 | 0 | 111.8 | F28 P31 F259 S261 R265 L266 F267 | F28-F263 AromaticContact CD1-CE2 3.75Å; F28-F263 HydrophobicContact CD1-CE2 3.75Å; F28-F263 HydrophobicContact CD1-CZ 4.29Å; F28-F263 AromaticContact CE1-CE2 3.98Å; F28-F263 HydrophobicContact CE1-CE2 3.98Å; F28-F263 HydrophobicContact CE1-CZ 4.06Å; P31-F263 HydrophobicContact CB-CB 4.44Å; P31-F263 HydrophobicContact CG-CD2 4.25Å; F259-F263 HydrophobicContact CZ-CD2 4.19Å; F259-F263 WeakPolarHBondContact O-CB 3.28Å; F259-F263 PolarHBondContact O-N 3.05Å; S261-F263 VanDerWaalsContact C-N 3.32Å; S261-F263 PolarHBondContact O-N 3.14Å; F263-R265 PolarHBondContact O-N 3.32Å; F263-L266 HydrophobicContact CD2-CD1 3.69Å; F263-L266 HydrophobicContact CE2-CD1 3.76Å; F263-L266 HydrophobicContact CG-CD1 4.21Å; F263-L266 HydrophobicContact CZ-CD1 4.33Å; F263-L266 VanDerWaalsContact O-CB 3.3Å; F263-L266 WeakPolarHBondContact O-CB 3.14Å; F263-L266 PolarHBondContact O-N 3.35Å; F263-L266 VanDerWaalsContact O-N 3.15Å; F263-F267 HydrophobicContact CD1-CE2 4.27Å; F263-F267 AromaticContact CE1-CE2 3.81Å; F263-F267 HydrophobicContact CE1-CE2 3.81Å; F263-F267 HydrophobicContact CZ-CE2 4.36Å |
| 264 | K | 95.1 | Very high | 88.8 | Confident | 143 Ų | 143 | 68.9 Ų | 68.9 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.4 | -28.8 | 174.3 | -80 | 173.2 | 179.8 | 176.8 | 0 | 112.7 | T260 S261 L266 F267 | T260-K264 HydrophobicContact CG2-CD 4.18Å; T260-K264 HydrophobicContact CG2-CG 4.44Å; T260-K264 WeakPolarHBondContact O-CB 3.44Å; T260-K264 WeakPolarHBondContact O-CG 2.9Å; T260-K264 PolarHBondContact O-N 3Å; S261-K264 PolarHBondContact O-N 3.3Å; K264-L266 PolarHBondContact O-N 3.29Å; K264-F267 PolarHBondContact O-N 3.48Å |
| 265 | R | 94.6 | Very high | 90.2 | Very high | 77 Ų | 77 | 68.7 Ų | 68.7 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -27.2 | 176.8 | -68 | 176.1 | 175.6 | 170.7 | -4.2 | 113.2 | S261 N262 F263 F267 S268 L271 L465 S468 | S261-R265 PolarHBondContact O-N 3.07Å; N262-R265 WeakPolarHBondContact O-CB 3.29Å; N262-R265 PolarHBondContact O-N 2.86Å; N262-R265 PolarHBondContact OD1-NH1 3.43Å; N262-R265 VanDerWaalsContact OD1-NH1 3.11Å; F263-R265 PolarHBondContact O-N 3.32Å; R265-F267 PolarHBondContact O-N 2.92Å; R265-S268 WeakPolarHBondContact O-CB 3.13Å; R265-S268 PolarHBondContact O-N 3.17Å; R265-L271 WeakPolarHBondContact O-CD1 2.91Å; R265-L465 HydrophobicContact CB-CD2 4.01Å; R265-L465 HydrophobicContact CG-CD2 4.33Å; R265-S468 VanDerWaalsContact CB-OG 3.25Å; R265-S468 WeakPolarHBondContact CB-OG 3.42Å |
| 266 | L | 95.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 69.6 Ų | 69.6 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -30.8 | 171.8 | -66.7 | 161.9 | 0 | 0 | 0 | 112.4 | P27 P31 F263 K264 W272 L472 | P27-L266 HydrophobicContact CB-CD1 4.39Å; P27-L266 HydrophobicContact CB-CD2 4.1Å; P27-L266 VanDerWaalsContact O-CD1 3.23Å; P27-L266 WeakPolarHBondContact O-CD1 3.13Å; P31-L266 HydrophobicContact CG-CD1 3.94Å; P31-L266 HydrophobicContact CG-CG 4.32Å; F263-L266 HydrophobicContact CD2-CD1 3.69Å; F263-L266 HydrophobicContact CE2-CD1 3.76Å; F263-L266 HydrophobicContact CG-CD1 4.21Å; F263-L266 HydrophobicContact CZ-CD1 4.33Å; F263-L266 VanDerWaalsContact O-CB 3.3Å; F263-L266 WeakPolarHBondContact O-CB 3.14Å; F263-L266 PolarHBondContact O-N 3.35Å; F263-L266 VanDerWaalsContact O-N 3.15Å; K264-L266 PolarHBondContact O-N 3.29Å; L266-W272 PolarHBondContact O-NE1 3.29Å; L266-L472 HydrophobicContact CD2-CD2 4.37Å; L266-L472 HydrophobicContact CD2-CG 4.17Å |
| 267 | F | 96.2 | Very high | 92.5 | Very high | 132 Ų | 132 | 65.5 Ų | 65.5 | 58% | 0.579 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 14.1 | -179.6 | -58.1 | -81.2 | 0 | 0 | 0 | 112.4 | F263 K264 R265 | F263-F267 HydrophobicContact CD1-CE2 4.27Å; F263-F267 AromaticContact CE1-CE2 3.81Å; F263-F267 HydrophobicContact CE1-CE2 3.81Å; F263-F267 HydrophobicContact CZ-CE2 4.36Å; K264-F267 PolarHBondContact O-N 3.48Å; R265-F267 PolarHBondContact O-N 2.92Å |
| 268 | S | 95 | Very high | 93.4 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | trans | -59.3 | 128 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 111 | R265 K270 L271 W272 | R265-S268 WeakPolarHBondContact O-CB 3.13Å; R265-S268 PolarHBondContact O-N 3.17Å; S268-K270 PolarHBondContact O-N 3.43Å; S268-K270 VanDerWaalsContact O-N 3.08Å; S268-K270 PolarHBondContact OG-N 3.48Å; S268-L271 WeakPolarHBondContact O-CB 2.99Å; S268-L271 PolarHBondContact O-N 2.82Å; S268-W272 PolarHBondContact O-N 2.97Å | ||
| 269 | P | 95.7 | Very high | 94.1 | Very high | 83 Ų | 83 | 66.1 Ų | 66.1 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.1 | -25.6 | 174.7 | -25.9 | 34.5 | 0 | 0 | 0 | 113.3 | L271 W272 K273 | P269-L271 PolarHBondContact O-N 3.18Å; P269-W272 PolarHBondContact O-N 2.96Å; P269-K273 HydrophobicContact CB-CD 4.29Å; P269-K273 VanDerWaalsContact O-CB 3.22Å; P269-K273 WeakPolarHBondContact O-CB 2.88Å; P269-K273 WeakPolarHBondContact O-CG 3.31Å; P269-K273 PolarHBondContact O-N 2.68Å |
| 270 | K | 93.2 | Very high | 94.6 | Very high | 135 Ų | 135 | 64 Ų | 64 | 59% | 0.587 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.5 | -25.8 | 175.5 | -67.4 | -178.6 | 179.7 | 176.1 | 0 | 112.7 | S268 N274 E464 L465 | S268-K270 PolarHBondContact O-N 3.43Å; S268-K270 VanDerWaalsContact O-N 3.08Å; S268-K270 PolarHBondContact OG-N 3.48Å; K270-N274 VanDerWaalsContact O-CB 3.22Å; K270-N274 WeakPolarHBondContact O-CB 3.38Å; K270-E464 IonicContact NZ-OE2 3.84Å; K270-L465 HydrophobicContact CB-CD1 3.61Å; K270-L465 HydrophobicContact CD-CD1 3.93Å; K270-L465 HydrophobicContact CG-CD1 4.41Å |
| 271 | L | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -82.4 | -56.7 | 173.1 | -66.3 | 173.3 | 0 | 0 | 0 | 110.1 | R265 S268 P269 K273 N274 F277 V461 L465 L472 | R265-L271 WeakPolarHBondContact O-CD1 2.91Å; S268-L271 WeakPolarHBondContact O-CB 2.99Å; S268-L271 PolarHBondContact O-N 2.82Å; P269-L271 PolarHBondContact O-N 3.18Å; L271-K273 VanDerWaalsContact C-N 3.31Å; L271-K273 PolarHBondContact O-N 3.03Å; L271-N274 PolarHBondContact O-N 3.36Å; L271-F277 HydrophobicContact CB-CD1 4.29Å; L271-F277 HydrophobicContact CB-CE1 4.19Å; L271-F277 HydrophobicContact CD2-CD1 4.36Å; L271-F277 HydrophobicContact CD2-CE1 4.2Å; L271-F277 HydrophobicContact CD2-CZ 4.32Å; L271-V461 HydrophobicContact CD2-CB 3.9Å; L271-V461 HydrophobicContact CD2-CG1 3.59Å; L271-V461 HydrophobicContact CD2-CG2 4.2Å; L271-L465 HydrophobicContact CD2-CB 4.08Å; L271-L465 HydrophobicContact CD2-CD1 4.4Å; L271-L465 HydrophobicContact CG-CB 4.5Å; L271-L465 HydrophobicContact CG-CD1 4.26Å; L271-L472 HydrophobicContact CD1-CD1 4Å |
| 272 | W | 96.5 | Very high | 95.4 | Very high | 124 Ų | 124 | 64.1 Ų | 64.1 | 47% | 0.47 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.7 | -16 | -170.6 | -66.4 | 97.2 | 0 | 0 | 0 | 115 | L266 S268 P269 L278 L472 | L266-W272 PolarHBondContact O-NE1 3.29Å; S268-W272 PolarHBondContact O-N 2.97Å; P269-W272 PolarHBondContact O-N 2.96Å; W272-L278 HydrophobicContact CE3-CD2 4.25Å; W272-L278 WeakPolarHBondContact O-CD1 3.36Å; W272-L472 HydrophobicContact CH2-CD2 4.39Å; W272-L472 HydrophobicContact CZ2-CD1 3.88Å; W272-L472 HydrophobicContact CZ2-CD2 3.8Å |
| 273 | K | 96.3 | Very high | 95.7 | Very high | 174 Ų | 174 | 64 Ų | 64 | 76% | 0.757 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -2 | 173.5 | -61.8 | -176.9 | 175.7 | -177.9 | 0 | 113.2 | P269 L271 P275 | P269-K273 HydrophobicContact CB-CD 4.29Å; P269-K273 VanDerWaalsContact O-CB 3.22Å; P269-K273 WeakPolarHBondContact O-CB 2.88Å; P269-K273 WeakPolarHBondContact O-CG 3.31Å; P269-K273 PolarHBondContact O-N 2.68Å; L271-K273 VanDerWaalsContact C-N 3.31Å; L271-K273 PolarHBondContact O-N 3.03Å; K273-P275 VanDerWaalsContact O-CD 3.25Å; K273-P275 WeakPolarHBondContact O-CD 3.49Å |
| 274 | N | 95.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | trans | -88 | 107.8 | -178.5 | -176.5 | -17.5 | 0 | 0 | 0 | 110.3 | K270 L271 N276 F277 L278 I460 | K270-N274 VanDerWaalsContact O-CB 3.22Å; K270-N274 WeakPolarHBondContact O-CB 3.38Å; L271-N274 PolarHBondContact O-N 3.36Å; N274-N276 VanDerWaalsContact C-N 3.28Å; N274-N276 PolarHBondContact O-N 2.7Å; N274-N276 WeakPolarHBondContact OD1-CB 3.43Å; N274-N276 PolarHBondContact OD1-N 2.67Å; N274-F277 HydrophobicContact CB-CB 4.05Å; N274-F277 PolarHBondContact O-N 3.35Å; N274-F277 PolarHBondContact OD1-N 3.17Å; N274-L278 PolarHBondContact O-N 3.36Å; N274-L278 VanDerWaalsContact O-N 3.09Å; N274-I460 PolarHBondContact ND2-O 3.5Å | ||
| 275 | P | 94.4 | Very high | 95.7 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.7 | -32.1 | -176.8 | 27.1 | -35.1 | 0 | 0 | 0 | 112.3 | K273 F277 L278 F279 | K273-P275 VanDerWaalsContact O-CD 3.25Å; K273-P275 WeakPolarHBondContact O-CD 3.49Å; P275-F277 VanDerWaalsContact C-N 3.29Å; P275-F277 PolarHBondContact O-N 2.76Å; P275-L278 PolarHBondContact O-N 3.06Å; P275-F279 WeakPolarHBondContact O-CB 3.23Å; P275-F279 VanDerWaalsContact O-CD2 3.27Å; P275-F279 WeakPolarHBondContact O-CD2 3.34Å; P275-F279 PolarHBondContact O-N 3Å |
| 276 | N | 94.7 | Very high | 95.8 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 177.6 | -62.1 | -9.4 | 0 | 0 | 0 | 110.6 | N274 Y280 I460 K519 | N274-N276 VanDerWaalsContact C-N 3.28Å; N274-N276 PolarHBondContact O-N 2.7Å; N274-N276 WeakPolarHBondContact OD1-CB 3.43Å; N274-N276 PolarHBondContact OD1-N 2.67Å; N276-Y280 WeakPolarHBondContact O-CB 3.2Å; N276-Y280 PolarHBondContact O-N 3.27Å; N276-Y280 VanDerWaalsContact O-N 3.1Å; N276-I460 HydrophobicContact CB-CD1 4.48Å; N276-I460 HydrophobicContact CB-CG1 4.24Å; N276-I460 HydrophobicContact CB-CG2 3.76Å; N276-K519 WeakPolarHBondContact OD1-CE 3.5Å; N276-K519 PolarHBondContact OD1-NZ 3.17Å |
| 277 | F | 96.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.5 | -49.3 | 179.5 | 179.8 | -110.7 | 0 | 0 | 0 | 111.3 | L271 N274 P275 F279 Y280 V281 I460 V461 L472 | L271-F277 HydrophobicContact CB-CD1 4.29Å; L271-F277 HydrophobicContact CB-CE1 4.19Å; L271-F277 HydrophobicContact CD2-CD1 4.36Å; L271-F277 HydrophobicContact CD2-CE1 4.2Å; L271-F277 HydrophobicContact CD2-CZ 4.32Å; N274-F277 HydrophobicContact CB-CB 4.05Å; N274-F277 PolarHBondContact O-N 3.35Å; N274-F277 PolarHBondContact OD1-N 3.17Å; P275-F277 VanDerWaalsContact C-N 3.29Å; P275-F277 PolarHBondContact O-N 2.76Å; F277-F279 PolarHBondContact O-N 3.48Å; F277-Y280 PolarHBondContact O-N 3.35Å; F277-V281 HydrophobicContact CD1-CG2 4.35Å; F277-V281 HydrophobicContact CD2-CG2 4.12Å; F277-V281 HydrophobicContact CE1-CG2 3.94Å; F277-V281 HydrophobicContact CE2-CG2 3.68Å; F277-V281 HydrophobicContact CG-CG2 4.44Å; F277-V281 HydrophobicContact CZ-CG2 3.58Å; F277-V281 WeakPolarHBondContact O-CG2 3.48Å; F277-V281 PolarHBondContact O-N 2.84Å; F277-I460 HydrophobicContact CB-CG2 3.73Å; F277-V461 HydrophobicContact CB-CG1 4.02Å; F277-V461 HydrophobicContact CD2-CG1 3.56Å; F277-V461 HydrophobicContact CE2-CG1 4.23Å; F277-V461 HydrophobicContact CG-CG1 3.85Å; F277-L472 HydrophobicContact CE1-CD1 4.08Å; F277-L472 HydrophobicContact CZ-CB 4.16Å; F277-L472 HydrophobicContact CZ-CD1 4.29Å |
| 278 | L | 97.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.9 | -47.8 | -178.7 | -65.6 | 178.7 | 0 | 0 | 0 | 112.4 | W272 N274 P275 Y280 V281 I282 | W272-L278 HydrophobicContact CE3-CD2 4.25Å; W272-L278 WeakPolarHBondContact O-CD1 3.36Å; N274-L278 PolarHBondContact O-N 3.36Å; N274-L278 VanDerWaalsContact O-N 3.09Å; P275-L278 PolarHBondContact O-N 3.06Å; L278-Y280 VanDerWaalsContact C-N 3.29Å; L278-Y280 PolarHBondContact O-N 3.05Å; L278-V281 PolarHBondContact O-N 2.78Å; L278-I282 WeakPolarHBondContact O-CB 3.15Å; L278-I282 VanDerWaalsContact O-CG1 3.26Å; L278-I282 WeakPolarHBondContact O-CG1 3.22Å; L278-I282 PolarHBondContact O-N 3.35Å |
| 279 | F | 95.7 | Very high | 95.7 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 34% | 0.342 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.8 | -35.6 | 177.8 | -85.3 | -98.5 | 0 | 0 | 0 | 111.8 | P275 F277 A283 K519 | P275-F279 WeakPolarHBondContact O-CB 3.23Å; P275-F279 VanDerWaalsContact O-CD2 3.27Å; P275-F279 WeakPolarHBondContact O-CD2 3.34Å; P275-F279 PolarHBondContact O-N 3Å; F277-F279 PolarHBondContact O-N 3.48Å; F279-A283 WeakPolarHBondContact O-CB 3.32Å; F279-A283 PolarHBondContact O-N 3.42Å; F279-K519 HydrophobicContact CB-CG 4.32Å; F279-K519 HydrophobicContact CD1-CB 3.67Å; F279-K519 HydrophobicContact CD1-CG 3.85Å; F279-K519 HydrophobicContact CD2-CG 3.99Å; F279-K519 HydrophobicContact CE1-CB 3.77Å; F279-K519 HydrophobicContact CE1-CG 4.1Å; F279-K519 HydrophobicContact CE2-CG 4.22Å; F279-K519 HydrophobicContact CG-CB 4.14Å; F279-K519 HydrophobicContact CG-CG 3.79Å; F279-K519 HydrophobicContact CZ-CB 4.31Å; F279-K519 HydrophobicContact CZ-CG 4.26Å |
| 280 | Y | 96.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.5 | -47.4 | 175.6 | -178.2 | -117.2 | 0 | 0 | 0 | 112.1 | N276 F277 L278 I282 N284 F395 M452 F453 L456 I457 I460 F473 | N276-Y280 WeakPolarHBondContact O-CB 3.2Å; N276-Y280 PolarHBondContact O-N 3.27Å; N276-Y280 VanDerWaalsContact O-N 3.1Å; F277-Y280 PolarHBondContact O-N 3.35Å; L278-Y280 VanDerWaalsContact C-N 3.29Å; L278-Y280 PolarHBondContact O-N 3.05Å; Y280-I282 PolarHBondContact O-N 3.49Å; Y280-N284 WeakPolarHBondContact O-CB 3.17Å; Y280-N284 PolarHBondContact O-N 2.92Å; Y280-F395 HydrophobicContact CD2-CD1 4.48Å; Y280-F395 HydrophobicContact CD2-CE1 4.05Å; Y280-F395 HydrophobicContact CD2-CZ 4.16Å; Y280-F395 HydrophobicContact CE2-CD1 4.17Å; Y280-F395 HydrophobicContact CE2-CD2 4.08Å; Y280-F395 AromaticContact CE2-CE1 3.9Å; Y280-F395 HydrophobicContact CE2-CE1 3.9Å; Y280-F395 AromaticContact CE2-CE2 3.82Å; Y280-F395 HydrophobicContact CE2-CE2 3.82Å; Y280-F395 HydrophobicContact CE2-CG 4.25Å; Y280-F395 AromaticContact CE2-CZ 3.72Å; Y280-F395 HydrophobicContact CE2-CZ 3.72Å; Y280-M452 PolarHBondContact OH-O 3.41Å; Y280-F453 WeakPolarHBondContact OH-CA 3.13Å; Y280-L456 HydrophobicContact CD1-CB 4.44Å; Y280-L456 HydrophobicContact CD2-CD1 4.09Å; Y280-L456 HydrophobicContact CE1-CB 3.84Å; Y280-L456 HydrophobicContact CE2-CB 4Å; Y280-L456 HydrophobicContact CE2-CD1 3.36Å; Y280-L456 HydrophobicContact CE2-CG 4.31Å; Y280-I457 HydrophobicContact CD1-CG1 4.38Å; Y280-I457 HydrophobicContact CE1-CG1 3.93Å; Y280-I460 HydrophobicContact CD1-CD1 4.09Å; Y280-I460 HydrophobicContact CG-CD1 4.01Å; Y280-F473 AromaticContact CD1-CD2 4Å; Y280-F473 HydrophobicContact CD1-CD2 4Å; Y280-F473 AromaticContact CD1-CE2 3.84Å; Y280-F473 HydrophobicContact CD1-CE2 3.84Å; Y280-F473 AromaticContact CE1-CD2 3.74Å; Y280-F473 HydrophobicContact CE1-CD2 3.74Å; Y280-F473 AromaticContact CE1-CE2 3.28Å; Y280-F473 HydrophobicContact CE1-CE2 3.28Å; Y280-F473 HydrophobicContact CE1-CZ 4.16Å; Y280-F473 AromaticContact CZ-CE2 3.72Å |
| 281 | V | 97.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | F277 L278 N284 G285 F473 F476 | F277-V281 HydrophobicContact CD1-CG2 4.35Å; F277-V281 HydrophobicContact CD2-CG2 4.12Å; F277-V281 HydrophobicContact CE1-CG2 3.94Å; F277-V281 HydrophobicContact CE2-CG2 3.68Å; F277-V281 HydrophobicContact CG-CG2 4.44Å; F277-V281 HydrophobicContact CZ-CG2 3.58Å; F277-V281 WeakPolarHBondContact O-CG2 3.48Å; F277-V281 PolarHBondContact O-N 2.84Å; L278-V281 PolarHBondContact O-N 2.78Å; V281-N284 PolarHBondContact O-N 3.5Å; V281-G285 PolarHBondContact O-N 3.33Å; V281-F473 HydrophobicContact CG2-CB 4.21Å; V281-F473 HydrophobicContact CG2-CD2 4.09Å; V281-F476 HydrophobicContact CG1-CB 3.72Å; V281-F476 HydrophobicContact CG1-CD1 3.85Å; V281-F476 HydrophobicContact CG1-CG 3.9Å; V281-F476 WeakPolarHBondContact O-CD1 3.44Å |
| 282 | I | 96.9 | Very high | 95.4 | Very high | 77 Ų | 77 | 34.9 Ų | 34.9 | 40% | 0.395 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64 | -51.4 | -179.6 | -68.7 | 166.6 | 0 | 0 | 0 | 111 | L278 Y280 N284 G285 I286 | L278-I282 WeakPolarHBondContact O-CB 3.15Å; L278-I282 VanDerWaalsContact O-CG1 3.26Å; L278-I282 WeakPolarHBondContact O-CG1 3.22Å; L278-I282 PolarHBondContact O-N 3.35Å; Y280-I282 PolarHBondContact O-N 3.49Å; I282-N284 VanDerWaalsContact C-N 3.27Å; I282-N284 PolarHBondContact O-N 3.36Å; I282-G285 PolarHBondContact O-N 2.9Å; I282-I286 HydrophobicContact CG2-CD1 3.8Å; I282-I286 VanDerWaalsContact O-CG1 3.3Å; I282-I286 WeakPolarHBondContact O-CG1 3.49Å; I282-I286 PolarHBondContact O-N 2.98Å |
| 283 | A | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F279 I286 A287 A512 V516 | F279-A283 WeakPolarHBondContact O-CB 3.32Å; F279-A283 PolarHBondContact O-N 3.42Å; A283-I286 PolarHBondContact O-N 2.9Å; A283-A287 WeakPolarHBondContact O-CB 3.42Å; A283-A287 PolarHBondContact O-N 2.85Å; A283-A512 HydrophobicContact CB-CB 4.2Å; A283-A512 WeakPolarHBondContact O-CB 3.14Å; A283-V516 HydrophobicContact CB-CG2 3.43Å; A283-V516 VanDerWaalsContact CB-CG2 3.43Å |
| 284 | N | 95 | Very high | 95.1 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 178 | -165.6 | -88.6 | 0 | 0 | 0 | 112.9 | Y280 V281 I282 I286 A287 G288 F453 F473 N477 | Y280-N284 WeakPolarHBondContact O-CB 3.17Å; Y280-N284 PolarHBondContact O-N 2.92Å; V281-N284 PolarHBondContact O-N 3.5Å; I282-N284 VanDerWaalsContact C-N 3.27Å; I282-N284 PolarHBondContact O-N 3.36Å; N284-I286 VanDerWaalsContact C-N 3.32Å; N284-I286 PolarHBondContact O-N 3.23Å; N284-A287 CarbonylContact O-C 3.58Å; N284-A287 PolarHBondContact O-N 2.85Å; N284-A287 VanDerWaalsContact O-N 3.17Å; N284-G288 PolarHBondContact O-N 3Å; N284-F453 WeakPolarHBondContact ND2-CD1 3.2Å; N284-F453 WeakPolarHBondContact ND2-CE1 3.39Å; N284-F473 HydrophobicContact CB-CD2 4.37Å; N284-F473 HydrophobicContact CB-CE2 3.42Å; N284-F473 VanDerWaalsContact CB-CE2 3.42Å; N284-F473 HydrophobicContact CB-CZ 3.74Å; N284-F473 WeakPolarHBondContact ND2-CZ 3.35Å; N284-F473 WeakPolarHBondContact OD1-CZ 3.27Å; N284-N477 PolarHBondContact OD1-OD1 3.41Å |
| 285 | G | 95.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V281 I282 A287 G288 A289 M480 | V281-G285 PolarHBondContact O-N 3.33Å; I282-G285 PolarHBondContact O-N 2.9Å; G285-A287 PolarHBondContact O-N 3.45Å; G285-G288 PolarHBondContact O-N 3.4Å; G285-A289 PolarHBondContact O-N 2.97Å; G285-M480 WeakPolarHBondContact O-CB 3.32Å |
| 286 | I | 96.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 173.9 | -68 | 167.4 | 0 | 0 | 0 | 110.9 | I282 A283 N284 G288 A289 G290 M480 L508 F511 A512 L515 | I282-I286 HydrophobicContact CG2-CD1 3.8Å; I282-I286 VanDerWaalsContact O-CG1 3.3Å; I282-I286 WeakPolarHBondContact O-CG1 3.49Å; I282-I286 PolarHBondContact O-N 2.98Å; A283-I286 PolarHBondContact O-N 2.9Å; N284-I286 VanDerWaalsContact C-N 3.32Å; N284-I286 PolarHBondContact O-N 3.23Å; I286-G288 VanDerWaalsContact C-N 3.32Å; I286-G288 PolarHBondContact O-N 3.36Å; I286-A289 PolarHBondContact O-N 2.9Å; I286-G290 PolarHBondContact O-N 2.93Å; I286-M480 HydrophobicContact CG1-CE 4.22Å; I286-L508 HydrophobicContact CG2-CB 4.13Å; I286-L508 HydrophobicContact CG2-CD2 3.9Å; I286-L508 VanDerWaalsContact CG2-O 3.32Å; I286-L508 WeakPolarHBondContact CG2-O 3.42Å; I286-F511 HydrophobicContact CD1-CD1 3.99Å; I286-F511 HydrophobicContact CD1-CE1 3.89Å; I286-F511 HydrophobicContact CG2-CD1 4.01Å; I286-A512 HydrophobicContact CB-CB 4.39Å; I286-A512 HydrophobicContact CG2-CB 4.18Å; I286-L515 HydrophobicContact CD1-CD1 3.5Å |
| 287 | A | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A283 N284 G285 A289 G290 V291 L399 A512 | A283-A287 WeakPolarHBondContact O-CB 3.42Å; A283-A287 PolarHBondContact O-N 2.85Å; N284-A287 CarbonylContact O-C 3.58Å; N284-A287 PolarHBondContact O-N 2.85Å; N284-A287 VanDerWaalsContact O-N 3.17Å; G285-A287 PolarHBondContact O-N 3.45Å; A287-A289 PolarHBondContact O-N 2.63Å; A287-G290 CarbonylContact O-C 3.33Å; A287-G290 WeakPolarHBondContact O-CA 3.36Å; A287-G290 PolarHBondContact O-N 2.96Å; A287-V291 WeakPolarHBondContact O-CB 3.4Å; A287-V291 VanDerWaalsContact O-CG2 3.27Å; A287-V291 WeakPolarHBondContact O-CG2 3.4Å; A287-V291 PolarHBondContact O-N 3.2Å; A287-L399 HydrophobicContact CB-CD2 3.52Å; A287-A512 HydrophobicContact CB-CB 4.04Å |
| 288 | G | 93.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 7% | 0.072 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.7 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N284 G285 I286 G290 V291 V292 N477 N481 | N284-G288 PolarHBondContact O-N 3Å; G285-G288 PolarHBondContact O-N 3.4Å; I286-G288 VanDerWaalsContact C-N 3.32Å; I286-G288 PolarHBondContact O-N 3.36Å; G288-G290 PolarHBondContact O-N 2.97Å; G288-V291 PolarHBondContact O-N 3.18Å; G288-V291 VanDerWaalsContact O-N 3.13Å; G288-V292 PolarHBondContact O-N 3.09Å; G288-N477 WeakPolarHBondContact CA-OD1 3.27Å; G288-N481 WeakPolarHBondContact CA-OD1 3.29Å; G288-N481 PolarHBondContact O-OD1 3.28Å |
| 289 | A | 93.8 | Very high | 94 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.033 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.6 | -33.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | G285 I286 A287 V292 I293 M480 L508 | G285-A289 PolarHBondContact O-N 2.97Å; I286-A289 PolarHBondContact O-N 2.9Å; A287-A289 PolarHBondContact O-N 2.63Å; A289-V292 WeakPolarHBondContact O-CG1 3.22Å; A289-I293 WeakPolarHBondContact O-CD1 3.29Å; A289-I293 WeakPolarHBondContact O-CG1 3.1Å; A289-M480 HydrophobicContact CB-CB 4.17Å; A289-M480 HydrophobicContact CB-CE 4.06Å; A289-M480 VanDerWaalsContact CB-O 3.3Å; A289-M480 WeakPolarHBondContact CB-O 3.2Å; A289-L508 HydrophobicContact CB-CD1 4.04Å |
| 290 | G | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -73.5 | -47.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I286 A287 G288 V292 I293 P294 A505 | I286-G290 PolarHBondContact O-N 2.93Å; A287-G290 CarbonylContact O-C 3.33Å; A287-G290 WeakPolarHBondContact O-CA 3.36Å; A287-G290 PolarHBondContact O-N 2.96Å; G288-G290 PolarHBondContact O-N 2.97Å; G290-V292 VanDerWaalsContact C-N 3.32Å; G290-V292 PolarHBondContact O-N 2.69Å; G290-I293 PolarHBondContact O-N 2.59Å; G290-P294 WeakPolarHBondContact O-CD 3.29Å; G290-A505 WeakPolarHBondContact O-CB 3.24Å |
| 291 | V | 93.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 7% | 0.067 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.3 | -37.6 | -176.3 | 164.5 | 0 | 0 | 0 | 0 | 113.1 | A287 G288 I293 N446 L449 | A287-V291 WeakPolarHBondContact O-CB 3.4Å; A287-V291 VanDerWaalsContact O-CG2 3.27Å; A287-V291 WeakPolarHBondContact O-CG2 3.4Å; A287-V291 PolarHBondContact O-N 3.2Å; G288-V291 PolarHBondContact O-N 3.18Å; G288-V291 VanDerWaalsContact O-N 3.13Å; V291-I293 VanDerWaalsContact C-N 3.26Å; V291-I293 PolarHBondContact O-N 3.21Å; V291-N446 HydrophobicContact CG1-CB 4.41Å; V291-N446 VanDerWaalsContact CG1-CG 3.49Å; V291-N446 VanDerWaalsContact CG1-OD1 3.31Å; V291-N446 WeakPolarHBondContact CG1-OD1 3.19Å; V291-L449 HydrophobicContact CG2-CD1 3.69Å |
| 292 | V | 92.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.4 | -25.3 | -178.4 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | F19 G288 A289 G290 T296 T485 | F19-V292 HydrophobicContact CD1-CG2 3.58Å; F19-V292 HydrophobicContact CE1-CB 4.13Å; F19-V292 HydrophobicContact CE1-CG2 3.63Å; F19-V292 HydrophobicContact CG-CG2 4.47Å; G288-V292 PolarHBondContact O-N 3.09Å; A289-V292 WeakPolarHBondContact O-CG1 3.22Å; G290-V292 VanDerWaalsContact C-N 3.32Å; G290-V292 PolarHBondContact O-N 2.69Å; V292-T296 WeakPolarHBondContact O-CB 3.27Å; V292-T296 PolarHBondContact O-N 3.39Å; V292-T296 PolarHBondContact O-OG1 2.96Å; V292-T485 HydrophobicContact CB-CG2 4.35Å; V292-T485 HydrophobicContact CG1-CG2 3.96Å; V292-T485 HydrophobicContact CG2-CG2 3.44Å; V292-T485 VanDerWaalsContact CG2-CG2 3.44Å |
| 293 | I | 92.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.5 | -55.4 | -174.6 | -66.9 | 169.1 | 0 | 0 | 0 | 111.5 | A289 G290 V291 W295 T296 F297 A501 L502 A505 | A289-I293 WeakPolarHBondContact O-CD1 3.29Å; A289-I293 WeakPolarHBondContact O-CG1 3.1Å; G290-I293 PolarHBondContact O-N 2.59Å; V291-I293 VanDerWaalsContact C-N 3.26Å; V291-I293 PolarHBondContact O-N 3.21Å; I293-W295 VanDerWaalsContact C-N 3.28Å; I293-W295 PolarHBondContact O-N 3.1Å; I293-T296 PolarHBondContact O-N 3.29Å; I293-F297 HydrophobicContact CB-CD2 4.47Å; I293-F297 HydrophobicContact CG2-CD2 3.99Å; I293-F297 WeakPolarHBondContact O-CD2 3.43Å; I293-F297 PolarHBondContact O-N 2.86Å; I293-A501 HydrophobicContact CG2-CB 3.96Å; I293-L502 HydrophobicContact CG2-CD2 4.24Å; I293-A505 HydrophobicContact CB-CB 3.91Å; I293-A505 HydrophobicContact CD1-CB 3.98Å; I293-A505 HydrophobicContact CG2-CB 4.1Å |
| 294 | P | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.7 | -40.1 | 175.5 | -25 | 34.1 | 0 | 0 | 0 | 112.8 | G290 T296 V298 T406 L409 V442 L502 A505 | G290-P294 WeakPolarHBondContact O-CD 3.29Å; P294-T296 VanDerWaalsContact C-N 3.26Å; P294-T296 PolarHBondContact O-N 3.24Å; P294-V298 WeakPolarHBondContact O-CB 3.39Å; P294-V298 VanDerWaalsContact O-CG1 3.27Å; P294-V298 WeakPolarHBondContact O-CG1 3.41Å; P294-V298 PolarHBondContact O-N 2.89Å; P294-V298 VanDerWaalsContact O-N 3.11Å; P294-T406 HydrophobicContact CG-CG2 3.54Å; P294-L409 HydrophobicContact CB-CD1 4.04Å; P294-V442 HydrophobicContact CB-CG1 4.34Å; P294-L502 HydrophobicContact CB-CD2 4.03Å; P294-L502 HydrophobicContact CG-CD2 3.83Å; P294-A505 HydrophobicContact CG-CB 4.46Å |
| 295 | W | 89.4 | Confident | 92.8 | Very high | 78 Ų | 78 | 18.4 Ų | 18.4 | 30% | 0.295 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 177.3 | -177.9 | -88.2 | 0 | 0 | 0 | 112.2 | A113 I293 I330 L334 | A113-W295 HydrophobicContact CB-CH2 3.44Å; A113-W295 VanDerWaalsContact CB-CH2 3.44Å; A113-W295 HydrophobicContact CB-CZ2 3.84Å; I293-W295 VanDerWaalsContact C-N 3.28Å; I293-W295 PolarHBondContact O-N 3.1Å; W295-I330 HydrophobicContact CE3-CB 4.09Å; W295-I330 HydrophobicContact CE3-CG2 3.46Å; W295-I330 VanDerWaalsContact CE3-CG2 3.46Å; W295-I330 HydrophobicContact CZ3-CB 4.08Å; W295-I330 HydrophobicContact CZ3-CG2 3.65Å; W295-L334 HydrophobicContact CH2-CD2 4.22Å; W295-L334 HydrophobicContact CZ3-CD2 4.23Å |
| 296 | T | 88.1 | Confident | 92.6 | Very high | 44 Ų | 44 | 18.3 Ų | 18.3 | 27% | 0.27 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -83.7 | -42.8 | -175 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | V292 I293 P294 | V292-T296 WeakPolarHBondContact O-CB 3.27Å; V292-T296 PolarHBondContact O-N 3.39Å; V292-T296 PolarHBondContact O-OG1 2.96Å; I293-T296 PolarHBondContact O-N 3.29Å; P294-T296 VanDerWaalsContact C-N 3.26Å; P294-T296 PolarHBondContact O-N 3.24Å |
| 297 | F | 91 | Very high | 92.4 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 2% | 0.022 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -112.6 | -1 | -163.3 | -59.2 | -65.2 | 0 | 0 | 0 | 114.9 | I293 Y299 D300 H301 T485 Y498 | I293-F297 HydrophobicContact CB-CD2 4.47Å; I293-F297 HydrophobicContact CG2-CD2 3.99Å; I293-F297 WeakPolarHBondContact O-CD2 3.43Å; I293-F297 PolarHBondContact O-N 2.86Å; F297-Y299 VanDerWaalsContact C-N 3.28Å; F297-Y299 PolarHBondContact O-N 3.4Å; F297-D300 PolarHBondContact O-N 3.43Å; F297-H301 WeakPolarHBondContact O-CB 3.24Å; F297-H301 PolarHBondContact O-N 3.35Å; F297-T485 WeakPolarHBondContact CZ-O 3.47Å; F297-Y498 HydrophobicContact CB-CD1 3.76Å; F297-Y498 HydrophobicContact CB-CE1 4.07Å; F297-Y498 HydrophobicContact CB-CG 4.19Å; F297-Y498 AromaticContact CD1-CD1 3.83Å; F297-Y498 HydrophobicContact CD1-CD1 3.83Å; F297-Y498 AromaticContact CD1-CE1 3.25Å; F297-Y498 HydrophobicContact CD1-CE1 3.25Å; F297-Y498 AromaticContact CD1-CZ 3.82Å; F297-Y498 HydrophobicContact CD2-CD1 4.45Å; F297-Y498 HydrophobicContact CD2-CE1 4.5Å; F297-Y498 AromaticContact CE1-CE1 3.72Å; F297-Y498 HydrophobicContact CE1-CE1 3.72Å; F297-Y498 AromaticContact CG-CD1 3.77Å; F297-Y498 HydrophobicContact CG-CD1 3.77Å; F297-Y498 AromaticContact CG-CE1 3.7Å; F297-Y498 HydrophobicContact CG-CE1 3.7Å |
| 298 | V | 94 | Very high | 92.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -39.8 | -178.1 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | P294 H301 V302 L326 P327 I330 L409 | P294-V298 WeakPolarHBondContact O-CB 3.39Å; P294-V298 VanDerWaalsContact O-CG1 3.27Å; P294-V298 WeakPolarHBondContact O-CG1 3.41Å; P294-V298 PolarHBondContact O-N 2.89Å; P294-V298 VanDerWaalsContact O-N 3.11Å; V298-H301 PolarHBondContact O-N 3.09Å; V298-V302 WeakPolarHBondContact O-CG2 3.42Å; V298-V302 PolarHBondContact O-N 3.03Å; V298-L326 HydrophobicContact CG1-CB 4.26Å; V298-L326 HydrophobicContact CG2-CB 4.39Å; V298-L326 HydrophobicContact CG2-CD1 4.39Å; V298-P327 HydrophobicContact CG1-CG 4Å; V298-I330 HydrophobicContact CG1-CD1 3.87Å; V298-L409 HydrophobicContact CG2-CD1 4.49Å; V298-L409 HydrophobicContact CG2-CD2 4.47Å |
| 299 | Y | 91.3 | Very high | 92 | Very high | 60 Ų | 60 | 29.1 Ų | 29.1 | 24% | 0.235 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -53.3 | 177.1 | 176.6 | -93.7 | 0 | 0 | 0 | 110.7 | F297 H301 V302 L303 I323 | F297-Y299 VanDerWaalsContact C-N 3.28Å; F297-Y299 PolarHBondContact O-N 3.4Å; Y299-H301 VanDerWaalsContact C-N 3.31Å; Y299-H301 PolarHBondContact O-N 3.33Å; Y299-V302 PolarHBondContact O-N 3.49Å; Y299-L303 HydrophobicContact CD1-CD2 4.46Å; Y299-L303 HydrophobicContact CE1-CD2 3.65Å; Y299-L303 VanDerWaalsContact O-CB 3.28Å; Y299-L303 WeakPolarHBondContact O-CB 3.46Å; Y299-L303 PolarHBondContact O-N 2.94Å; Y299-I323 HydrophobicContact CD2-CB 4.1Å; Y299-I323 HydrophobicContact CD2-CG2 3.56Å; Y299-I323 HydrophobicContact CE2-CB 3.88Å; Y299-I323 HydrophobicContact CE2-CG2 3.78Å; Y299-I323 HydrophobicContact CG-CG2 4.3Å |
| 300 | D | 89.8 | Confident | 91.8 | Very high | 58 Ų | 58 | 30.5 Ų | 30.5 | 31% | 0.31 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.2 | -34.7 | -179 | -63.4 | -38.6 | 0 | 0 | 0 | 112.4 | F297 L303 T304 Y498 | F297-D300 PolarHBondContact O-N 3.43Å; D300-L303 PolarHBondContact O-N 3.48Å; D300-T304 VanDerWaalsContact O-CB 3.27Å; D300-T304 WeakPolarHBondContact O-CB 3.31Å; D300-T304 PolarHBondContact O-N 3.45Å; D300-T304 PolarHBondContact O-OG1 2.94Å; D300-Y498 HydrophobicContact CB-CD2 4.04Å; D300-Y498 HydrophobicContact CB-CE2 3.5Å; D300-Y498 VanDerWaalsContact CB-CE2 3.5Å |
| 301 | H | 93 | Very high | 91.6 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -50.7 | 175.5 | 174.8 | 48.5 | 0 | 0 | 0 | 111.7 | F297 V298 Y299 T305 Y498 L502 | F297-H301 WeakPolarHBondContact O-CB 3.24Å; F297-H301 PolarHBondContact O-N 3.35Å; V298-H301 PolarHBondContact O-N 3.09Å; Y299-H301 VanDerWaalsContact C-N 3.31Å; Y299-H301 PolarHBondContact O-N 3.33Å; H301-T305 WeakPolarHBondContact O-CB 3.43Å; H301-T305 PolarHBondContact O-N 3.02Å; H301-T305 PolarHBondContact O-OG1 3.37Å; H301-Y498 HydrophobicContact CB-CD2 4.43Å; H301-Y498 HydrophobicContact CB-CG 4.42Å; H301-L502 HydrophobicContact CB-CD1 4.25Å; H301-L502 WeakPolarHBondContact CD2-CD1 3.4Å |
| 302 | V | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.9 | -46.1 | 179.4 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | V298 Y299 T304 T305 L306 I323 L326 L414 L426 L435 | V298-V302 WeakPolarHBondContact O-CG2 3.42Å; V298-V302 PolarHBondContact O-N 3.03Å; Y299-V302 PolarHBondContact O-N 3.49Å; V302-T304 PolarHBondContact O-N 3.4Å; V302-T305 PolarHBondContact O-N 3.41Å; V302-L306 HydrophobicContact CG1-CD1 3.7Å; V302-L306 HydrophobicContact CG1-CG 4.21Å; V302-L306 VanDerWaalsContact O-CG 3.31Å; V302-L306 WeakPolarHBondContact O-CG 3.24Å; V302-L306 PolarHBondContact O-N 2.95Å; V302-I323 HydrophobicContact CB-CG2 3.99Å; V302-I323 HydrophobicContact CG1-CD1 4.43Å; V302-I323 HydrophobicContact CG1-CG1 4.35Å; V302-I323 HydrophobicContact CG1-CG2 3.95Å; V302-L326 HydrophobicContact CB-CD1 4.14Å; V302-L326 HydrophobicContact CG1-CD1 4.33Å; V302-L326 HydrophobicContact CG2-CD1 3.58Å; V302-L414 HydrophobicContact CB-CD1 4.34Å; V302-L414 HydrophobicContact CG1-CD1 4.27Å; V302-L414 HydrophobicContact CG2-CD1 3.98Å; V302-L426 HydrophobicContact CG1-CD1 4.41Å; V302-L426 HydrophobicContact CG1-CD2 3.98Å; V302-L435 HydrophobicContact CG2-CD1 3.98Å |
| 303 | L | 92 | Very high | 91.1 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | -178.1 | -171.1 | 65.8 | 0 | 0 | 0 | 112.2 | Y299 D300 T305 L306 Y307 I318 N320 I323 | Y299-L303 HydrophobicContact CD1-CD2 4.46Å; Y299-L303 HydrophobicContact CE1-CD2 3.65Å; Y299-L303 VanDerWaalsContact O-CB 3.28Å; Y299-L303 WeakPolarHBondContact O-CB 3.46Å; Y299-L303 PolarHBondContact O-N 2.94Å; D300-L303 PolarHBondContact O-N 3.48Å; L303-T305 VanDerWaalsContact C-N 3.32Å; L303-T305 PolarHBondContact O-N 3.35Å; L303-L306 PolarHBondContact O-N 3.34Å; L303-Y307 HydrophobicContact CD1-CD2 3.86Å; L303-Y307 HydrophobicContact CD1-CE2 3.42Å; L303-Y307 VanDerWaalsContact CD1-CE2 3.42Å; L303-Y307 HydrophobicContact CD2-CE2 4.03Å; L303-Y307 HydrophobicContact CG-CD2 3.7Å; L303-Y307 HydrophobicContact CG-CE2 3.53Å; L303-Y307 VanDerWaalsContact O-CD2 3.28Å; L303-Y307 WeakPolarHBondContact O-CD2 3.49Å; L303-Y307 PolarHBondContact O-N 3.19Å; L303-I318 HydrophobicContact CD1-CG2 4.38Å; L303-N320 WeakPolarHBondContact CD1-OD1 3.39Å; L303-I323 HydrophobicContact CD1-CD1 3.67Å |
| 304 | T | 90.9 | Very high | 90.7 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 179.1 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | D300 V302 Y308 Y492 | D300-T304 VanDerWaalsContact O-CB 3.27Å; D300-T304 WeakPolarHBondContact O-CB 3.31Å; D300-T304 PolarHBondContact O-N 3.45Å; D300-T304 PolarHBondContact O-OG1 2.94Å; V302-T304 PolarHBondContact O-N 3.4Å; T304-Y308 PolarHBondContact O-N 3.38Å; T304-Y308 VanDerWaalsContact O-N 3.15Å; T304-Y492 HydrophobicContact CG2-CE2 3.77Å |
| 305 | T | 92.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.1 | -41.2 | 179.6 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | H301 V302 L303 Y308 L309 L414 | H301-T305 WeakPolarHBondContact O-CB 3.43Å; H301-T305 PolarHBondContact O-N 3.02Å; H301-T305 PolarHBondContact O-OG1 3.37Å; V302-T305 PolarHBondContact O-N 3.41Å; L303-T305 VanDerWaalsContact C-N 3.32Å; L303-T305 PolarHBondContact O-N 3.35Å; T305-Y308 PolarHBondContact O-N 2.96Å; T305-L309 PolarHBondContact O-N 3.03Å; T305-L414 HydrophobicContact CG2-CB 3.75Å; T305-L414 HydrophobicContact CG2-CD1 4.42Å |
| 306 | L | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.3 | -40 | 177.7 | -67.3 | 175.9 | 0 | 0 | 0 | 112.1 | V302 L303 Y308 L309 N310 I315 I318 I323 F424 L426 | V302-L306 HydrophobicContact CG1-CD1 3.7Å; V302-L306 HydrophobicContact CG1-CG 4.21Å; V302-L306 VanDerWaalsContact O-CG 3.31Å; V302-L306 WeakPolarHBondContact O-CG 3.24Å; V302-L306 PolarHBondContact O-N 2.95Å; L303-L306 PolarHBondContact O-N 3.34Å; L306-Y308 VanDerWaalsContact C-N 3.27Å; L306-Y308 PolarHBondContact O-N 2.64Å; L306-L309 HydrophobicContact CD2-CD1 4.44Å; L306-L309 PolarHBondContact O-N 3.29Å; L306-N310 PolarHBondContact O-N 3.32Å; L306-I315 HydrophobicContact CB-CD1 4.02Å; L306-I315 HydrophobicContact CD2-CD1 3.94Å; L306-I315 WeakPolarHBondContact O-CD1 3.08Å; L306-I318 HydrophobicContact CB-CD1 3.67Å; L306-I318 HydrophobicContact CB-CG1 4.25Å; L306-I318 HydrophobicContact CD1-CG2 4.35Å; L306-I323 HydrophobicContact CD1-CD1 3.76Å; L306-I323 HydrophobicContact CD1-CG1 4.36Å; L306-F424 HydrophobicContact CD1-CD1 4.22Å; L306-F424 HydrophobicContact CD1-CE1 3.69Å; L306-F424 HydrophobicContact CD2-CD1 4.45Å; L306-F424 HydrophobicContact CD2-CE1 3.7Å; L306-F424 HydrophobicContact CD2-CZ 3.98Å; L306-F424 HydrophobicContact CG-CE1 4.34Å; L306-L426 HydrophobicContact CD1-CD1 4.45Å |
| 307 | Y | 91.4 | Very high | 90.4 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.3 | -40.3 | 174.8 | -89.5 | -63 | 0 | 0 | 0 | 112 | L303 L309 N310 D311 I318 | L303-Y307 HydrophobicContact CD1-CD2 3.86Å; L303-Y307 HydrophobicContact CD1-CE2 3.42Å; L303-Y307 VanDerWaalsContact CD1-CE2 3.42Å; L303-Y307 HydrophobicContact CD2-CE2 4.03Å; L303-Y307 HydrophobicContact CG-CD2 3.7Å; L303-Y307 HydrophobicContact CG-CE2 3.53Å; L303-Y307 VanDerWaalsContact O-CD2 3.28Å; L303-Y307 WeakPolarHBondContact O-CD2 3.49Å; L303-Y307 PolarHBondContact O-N 3.19Å; Y307-L309 VanDerWaalsContact C-N 3.3Å; Y307-L309 PolarHBondContact O-N 3.38Å; Y307-N310 PolarHBondContact O-N 3.42Å; Y307-D311 PolarHBondContact O-N 3.04Å; Y307-I318 HydrophobicContact CD1-CD1 3.87Å; Y307-I318 HydrophobicContact CD2-CD1 4.38Å; Y307-I318 HydrophobicContact CE1-CD1 4.14Å; Y307-I318 HydrophobicContact CG-CD1 3.97Å |
| 308 | Y | 90.7 | Very high | 90.2 | Very high | 145 Ų | 145 | 50 Ų | 50 | 57% | 0.569 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.4 | -39.2 | 173.8 | 178.1 | -95.5 | 0 | 0 | 0 | 112.6 | T304 T305 L306 Q312 | T304-Y308 PolarHBondContact O-N 3.38Å; T304-Y308 VanDerWaalsContact O-N 3.15Å; T305-Y308 PolarHBondContact O-N 2.96Å; L306-Y308 VanDerWaalsContact C-N 3.27Å; L306-Y308 PolarHBondContact O-N 2.64Å; Y308-Q312 WeakPolarHBondContact O-CG 3.4Å; Y308-Q312 PolarHBondContact O-N 2.82Å; Y308-Q312 PolarHBondContact OH-NE2 3.3Å |
| 309 | L | 90.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.4 | -35.5 | 175.8 | -65.8 | 176.9 | 0 | 0 | 0 | 113.1 | T305 L306 Y307 Q312 N313 S314 I315 L414 | T305-L309 PolarHBondContact O-N 3.03Å; L306-L309 HydrophobicContact CD2-CD1 4.44Å; L306-L309 PolarHBondContact O-N 3.29Å; Y307-L309 VanDerWaalsContact C-N 3.3Å; Y307-L309 PolarHBondContact O-N 3.38Å; L309-Q312 CarbonylContact O-C 3.59Å; L309-Q312 PolarHBondContact O-N 3.26Å; L309-N313 PolarHBondContact O-N 3.34Å; L309-S314 WeakPolarHBondContact O-CB 3.47Å; L309-S314 PolarHBondContact O-N 2.93Å; L309-I315 HydrophobicContact CB-CD1 4.08Å; L309-I315 HydrophobicContact CB-CG1 4.08Å; L309-L414 VanDerWaalsContact CD1-O 3.3Å; L309-L414 WeakPolarHBondContact CD1-O 3.26Å |
| 310 | N | 90.3 | Very high | 89.5 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 175.3 | -172.2 | 14.6 | 0 | 0 | 0 | 110.8 | L306 Y307 Q312 N313 I315 I318 | L306-N310 PolarHBondContact O-N 3.32Å; Y307-N310 PolarHBondContact O-N 3.42Å; N310-Q312 PolarHBondContact O-N 3.39Å; N310-N313 WeakPolarHBondContact O-CA 3.35Å; N310-N313 PolarHBondContact O-N 2.76Å; N310-I315 HydrophobicContact CB-CD1 4.35Å; N310-I315 HydrophobicContact CB-CG1 3.96Å; N310-I315 PolarHBondContact OD1-O 2.95Å; N310-I318 HydrophobicContact CB-CD1 4.14Å |
| 311 | D | 89.2 | Confident | 89.1 | Confident | 132 Ų | 132 | 56.3 Ų | 56.3 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.3 | -28.2 | 173.7 | -78.3 | -4 | 0 | 0 | 0 | 112.3 | Y307 N313 | Y307-D311 PolarHBondContact O-N 3.04Å; D311-N313 VanDerWaalsContact C-N 3.25Å; D311-N313 PolarHBondContact O-N 2.89Å |
| 312 | Q | 89.2 | Confident | 88.8 | Confident | 104 Ų | 104 | 57.3 Ų | 57.3 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 7 | 171.4 | -67.3 | -165.6 | -8.4 | 0 | 0 | 114 | Y308 L309 N310 S314 | Y308-Q312 WeakPolarHBondContact O-CG 3.4Å; Y308-Q312 PolarHBondContact O-N 2.82Å; Y308-Q312 PolarHBondContact OH-NE2 3.3Å; L309-Q312 CarbonylContact O-C 3.59Å; L309-Q312 PolarHBondContact O-N 3.26Å; N310-Q312 PolarHBondContact O-N 3.39Å; Q312-S314 PolarHBondContact O-N 2.62Å; Q312-S314 VanDerWaalsContact O-N 3.15Å |
| 313 | N | 85.3 | Confident | 88.6 | Confident | 146 Ų | 146 | 57.4 Ų | 57.4 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 26.9 | -174.5 | -58.6 | -64.7 | 0 | 0 | 0 | 113.8 | L309 N310 D311 | L309-N313 PolarHBondContact O-N 3.34Å; N310-N313 WeakPolarHBondContact O-CA 3.35Å; N310-N313 PolarHBondContact O-N 2.76Å; D311-N313 VanDerWaalsContact C-N 3.25Å; D311-N313 PolarHBondContact O-N 2.89Å |
| 314 | S | 84.6 | Confident | 88.3 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -84.2 | -21.1 | 180 | -63.5 | 0 | 0 | 0 | 0 | 113 | L309 Q312 S419 | L309-S314 WeakPolarHBondContact O-CB 3.47Å; L309-S314 PolarHBondContact O-N 2.93Å; Q312-S314 PolarHBondContact O-N 2.62Å; Q312-S314 VanDerWaalsContact O-N 3.15Å; S314-S419 PolarHBondContact O-N 3.3Å |
| 315 | I | 89.8 | Confident | 88.3 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -137.8 | 159.1 | 177.4 | 61.8 | 172.8 | 0 | 0 | 0 | 109.5 | L306 L309 N310 I318 V417 F424 | L306-I315 HydrophobicContact CB-CD1 4.02Å; L306-I315 HydrophobicContact CD2-CD1 3.94Å; L306-I315 WeakPolarHBondContact O-CD1 3.08Å; L309-I315 HydrophobicContact CB-CD1 4.08Å; L309-I315 HydrophobicContact CB-CG1 4.08Å; N310-I315 HydrophobicContact CB-CD1 4.35Å; N310-I315 HydrophobicContact CB-CG1 3.96Å; N310-I315 PolarHBondContact OD1-O 2.95Å; I315-I318 HydrophobicContact CD1-CD1 4.4Å; I315-I318 HydrophobicContact CD1-CG1 4.08Å; I315-V417 HydrophobicContact CG2-CG1 4.37Å; I315-F424 HydrophobicContact CB-CB 4.48Å; I315-F424 HydrophobicContact CB-CD2 4.03Å; I315-F424 HydrophobicContact CB-CG 4.32Å; I315-F424 HydrophobicContact CD1-CD1 4.29Å; I315-F424 HydrophobicContact CD1-CD2 4.47Å; I315-F424 HydrophobicContact CD1-CG 4.19Å; I315-F424 HydrophobicContact CG2-CD2 3.96Å; I315-F424 HydrophobicContact CG2-CE2 4.15Å |
| 316 | G | 87.3 | Confident | 88.3 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | trans | -78.8 | -166.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I318 K422 | G316-I318 PolarHBondContact O-N 3.43Å; G316-K422 CarbonylContact C-O 3.58Å; G316-K422 WeakPolarHBondContact CA-O 3.47Å | ||
| 317 | D | 87.8 | Confident | 88.2 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 127.7 | -179.4 | -70.2 | -34.7 | 0 | 0 | 0 | 111.2 | K422 F424 | D317-K422 PolarHBondContact N-O 3.14Å; D317-F424 PolarHBondContact O-N 3.21Å |
| 318 | I | 87.6 | Confident | 88.2 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.9 | -174.2 | -59.3 | 163.7 | 0 | 0 | 0 | 110.6 | L303 L306 Y307 N310 I315 G316 N320 I323 | L303-I318 HydrophobicContact CD1-CG2 4.38Å; L306-I318 HydrophobicContact CB-CD1 3.67Å; L306-I318 HydrophobicContact CB-CG1 4.25Å; L306-I318 HydrophobicContact CD1-CG2 4.35Å; Y307-I318 HydrophobicContact CD1-CD1 3.87Å; Y307-I318 HydrophobicContact CD2-CD1 4.38Å; Y307-I318 HydrophobicContact CE1-CD1 4.14Å; Y307-I318 HydrophobicContact CG-CD1 3.97Å; N310-I318 HydrophobicContact CB-CD1 4.14Å; I315-I318 HydrophobicContact CD1-CD1 4.4Å; I315-I318 HydrophobicContact CD1-CG1 4.08Å; G316-I318 PolarHBondContact O-N 3.43Å; I318-N320 PolarHBondContact O-N 3.47Å; I318-I323 HydrophobicContact CG2-CD1 3.54Å |
| 319 | N | 85.8 | Confident | 88.4 | Confident | 57 Ų | 57 | 51 Ų | 51 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | trans | -81.8 | 100.4 | 169.5 | -175.7 | 6.4 | 0 | 0 | 0 | 111.7 | Q321 D322 F424 | N319-Q321 PolarHBondContact O-N 2.89Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.36Å; N319-Q321 PolarHBondContact OD1-N 3.35Å; N319-Q321 VanDerWaalsContact OD1-N 3.1Å; N319-D322 HydrophobicContact CB-CB 4.49Å; N319-D322 PolarHBondContact ND2-OD1 2.93Å; N319-D322 PolarHBondContact ND2-OD2 3.4Å; N319-D322 PolarHBondContact O-N 2.8Å; N319-F424 PolarHBondContact N-O 3.16Å | ||
| 320 | N | 83.9 | Confident | 88.6 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 35% | 0.353 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -25.8 | 179.2 | -69.9 | -9.7 | 0 | 0 | 0 | 113.7 | L303 I318 S324 | L303-N320 WeakPolarHBondContact CD1-OD1 3.39Å; I318-N320 PolarHBondContact O-N 3.47Å; N320-S324 PolarHBondContact O-N 3Å |
| 321 | Q | 82.7 | Confident | 88.7 | Confident | 129 Ų | 129 | 49 Ų | 49 | 60% | 0.603 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -68.5 | -36.6 | 179.4 | -170.7 | 174.1 | 1.8 | 0 | 0 | 111.6 | N319 I323 S324 | N319-Q321 PolarHBondContact O-N 2.89Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.36Å; N319-Q321 PolarHBondContact OD1-N 3.35Å; N319-Q321 VanDerWaalsContact OD1-N 3.1Å; Q321-I323 PolarHBondContact O-N 3.05Å; Q321-S324 PolarHBondContact O-N 2.73Å; Q321-S324 PolarHBondContact O-OG 3.49Å |
| 322 | D | 85.4 | Confident | 89 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 178.5 | -66.8 | -17.9 | 0 | 0 | 0 | 111.2 | N319 S324 W325 L426 F427 | N319-D322 HydrophobicContact CB-CB 4.49Å; N319-D322 PolarHBondContact ND2-OD1 2.93Å; N319-D322 PolarHBondContact ND2-OD2 3.4Å; N319-D322 PolarHBondContact O-N 2.8Å; D322-S324 VanDerWaalsContact C-N 3.29Å; D322-S324 PolarHBondContact O-N 2.97Å; D322-W325 WeakPolarHBondContact O-CB 2.98Å; D322-W325 PolarHBondContact O-N 3.35Å; D322-L426 HydrophobicContact CB-CB 4.43Å; D322-F427 HydrophobicContact CB-CD2 4.42Å; D322-F427 HydrophobicContact CB-CE2 4.32Å; D322-F427 WeakPolarHBondContact O-CE2 3.45Å; D322-F427 WeakPolarHBondContact O-CZ 3.47Å |
| 323 | I | 89.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -32.9 | 179.4 | -52.7 | 171.4 | 0 | 0 | 0 | 110.8 | Y299 V302 L303 L306 I318 Q321 W325 L326 L426 | Y299-I323 HydrophobicContact CD2-CB 4.1Å; Y299-I323 HydrophobicContact CD2-CG2 3.56Å; Y299-I323 HydrophobicContact CE2-CB 3.88Å; Y299-I323 HydrophobicContact CE2-CG2 3.78Å; Y299-I323 HydrophobicContact CG-CG2 4.3Å; V302-I323 HydrophobicContact CB-CG2 3.99Å; V302-I323 HydrophobicContact CG1-CD1 4.43Å; V302-I323 HydrophobicContact CG1-CG1 4.35Å; V302-I323 HydrophobicContact CG1-CG2 3.95Å; L303-I323 HydrophobicContact CD1-CD1 3.67Å; L306-I323 HydrophobicContact CD1-CD1 3.76Å; L306-I323 HydrophobicContact CD1-CG1 4.36Å; I318-I323 HydrophobicContact CG2-CD1 3.54Å; Q321-I323 PolarHBondContact O-N 3.05Å; I323-W325 PolarHBondContact O-N 3.03Å; I323-W325 VanDerWaalsContact O-N 3.14Å; I323-L326 HydrophobicContact CG2-CD1 4.15Å; I323-L326 WeakPolarHBondContact O-CB 3.43Å; I323-L326 WeakPolarHBondContact O-CG 3.32Å; I323-L326 PolarHBondContact O-N 3.04Å; I323-L426 HydrophobicContact CG1-CD2 4.24Å |
| 324 | S | 87.3 | Confident | 89.9 | Confident | 44 Ų | 44 | 35.6 Ų | 35.6 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.3 | -18.4 | 179 | 79.6 | 0 | 0 | 0 | 0 | 113.7 | N320 Q321 D322 L326 P327 S328 | N320-S324 PolarHBondContact O-N 3Å; Q321-S324 PolarHBondContact O-N 2.73Å; Q321-S324 PolarHBondContact O-OG 3.49Å; D322-S324 VanDerWaalsContact C-N 3.29Å; D322-S324 PolarHBondContact O-N 2.97Å; S324-L326 VanDerWaalsContact C-N 3.25Å; S324-L326 PolarHBondContact O-N 3.35Å; S324-P327 WeakPolarHBondContact O-CD 3.48Å; S324-S328 PolarHBondContact O-OG 2.99Å |
| 325 | W | 90 | Very high | 90.4 | Very high | 89 Ų | 89 | 35.5 Ų | 35.5 | 34% | 0.337 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.9 | -22.6 | 172.2 | -79.9 | 92.5 | 0 | 0 | 0 | 113.1 | F114 Y118 D322 I323 S328 L329 F427 | F114-W325 HydrophobicContact CE2-CZ3 4.03Å; F114-W325 HydrophobicContact CZ-CZ3 4.42Å; Y118-W325 HydrophobicContact CE1-CH2 4.25Å; Y118-W325 AromaticContact CE1-CZ2 3.95Å; Y118-W325 HydrophobicContact CE1-CZ2 3.95Å; Y118-W325 HydrophobicContact CE2-CH2 4.4Å; Y118-W325 HydrophobicContact CE2-CZ3 4.43Å; Y118-W325 AromaticContact CZ-CH2 3.64Å; Y118-W325 AromaticContact CZ-CZ2 3.72Å; Y118-W325 AromaticContact CZ-CZ3 3.89Å; Y118-W325 WeakPolarHBondContact OH-CH2 3.37Å; Y118-W325 WeakPolarHBondContact OH-CZ2 3.22Å; Y118-W325 WeakPolarHBondContact OH-CZ3 3.27Å; D322-W325 WeakPolarHBondContact O-CB 2.98Å; D322-W325 PolarHBondContact O-N 3.35Å; I323-W325 PolarHBondContact O-N 3.03Å; I323-W325 VanDerWaalsContact O-N 3.14Å; W325-S328 CarbonylContact O-C 3.59Å; W325-S328 WeakPolarHBondContact O-CB 3.47Å; W325-S328 PolarHBondContact O-N 2.9Å; W325-L329 WeakPolarHBondContact O-CB 3.48Å; W325-L329 VanDerWaalsContact O-CG 3.31Å; W325-L329 WeakPolarHBondContact O-CG 3.04Å; W325-L329 PolarHBondContact O-N 3.41Å; W325-F427 HydrophobicContact CB-CE2 3.83Å; W325-F427 HydrophobicContact CB-CZ 3.84Å; W325-F427 HydrophobicContact CG-CE2 4.22Å |
| 326 | L | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -52.8 | -174.9 | -63.7 | 174.2 | 0 | 0 | 0 | 112.6 | V298 V302 I323 S324 S328 L329 I330 L426 F427 L435 | V298-L326 HydrophobicContact CG1-CB 4.26Å; V298-L326 HydrophobicContact CG2-CB 4.39Å; V298-L326 HydrophobicContact CG2-CD1 4.39Å; V302-L326 HydrophobicContact CB-CD1 4.14Å; V302-L326 HydrophobicContact CG1-CD1 4.33Å; V302-L326 HydrophobicContact CG2-CD1 3.58Å; I323-L326 HydrophobicContact CG2-CD1 4.15Å; I323-L326 WeakPolarHBondContact O-CB 3.43Å; I323-L326 WeakPolarHBondContact O-CG 3.32Å; I323-L326 PolarHBondContact O-N 3.04Å; S324-L326 VanDerWaalsContact C-N 3.25Å; S324-L326 PolarHBondContact O-N 3.35Å; L326-S328 VanDerWaalsContact C-N 3.28Å; L326-S328 PolarHBondContact O-N 3.07Å; L326-L329 WeakPolarHBondContact O-CB 3.46Å; L326-L329 PolarHBondContact O-N 3.05Å; L326-I330 PolarHBondContact O-N 3.38Å; L326-I330 VanDerWaalsContact O-N 3.16Å; L326-L426 HydrophobicContact CD1-CD2 4.09Å; L326-F427 HydrophobicContact CD2-CE1 3.98Å; L326-F427 HydrophobicContact CD2-CZ 4.17Å; L326-L435 HydrophobicContact CD2-CB 4.12Å |
| 327 | P | 90.7 | Very high | 91.3 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -38.5 | 171.6 | -23.4 | 33.7 | 0 | 0 | 0 | 113.1 | V298 S324 L329 I330 G331 | V298-P327 HydrophobicContact CG1-CG 4Å; S324-P327 WeakPolarHBondContact O-CD 3.48Å; P327-L329 VanDerWaalsContact C-N 3.29Å; P327-L329 PolarHBondContact O-N 3.32Å; P327-I330 WeakPolarHBondContact O-CB 3.4Å; P327-I330 PolarHBondContact O-N 3.16Å; P327-I330 VanDerWaalsContact O-N 3.11Å; P327-G331 PolarHBondContact O-N 3.36Å |
| 328 | S | 91.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -34.4 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | N117 S324 W325 L326 G331 F332 | N117-S328 PolarHBondContact ND2-OG 2.92Å; S324-S328 PolarHBondContact O-OG 2.99Å; W325-S328 CarbonylContact O-C 3.59Å; W325-S328 WeakPolarHBondContact O-CB 3.47Å; W325-S328 PolarHBondContact O-N 2.9Å; L326-S328 VanDerWaalsContact C-N 3.28Å; L326-S328 PolarHBondContact O-N 3.07Å; S328-G331 CarbonylContact O-C 3.5Å; S328-G331 PolarHBondContact O-N 3.2Å; S328-F332 WeakPolarHBondContact O-CB 3.22Å; S328-F332 PolarHBondContact O-N 3.12Å |
| 329 | L | 93.7 | Very high | 92.2 | Very high | 37 Ų | 37 | 37 Ų | 37 | 19% | 0.194 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.8 | -35.9 | 172.7 | -75.2 | 169 | 0 | 0 | 0 | 112.1 | W325 L326 P327 G331 F332 G333 A436 C439 | W325-L329 WeakPolarHBondContact O-CB 3.48Å; W325-L329 VanDerWaalsContact O-CG 3.31Å; W325-L329 WeakPolarHBondContact O-CG 3.04Å; W325-L329 PolarHBondContact O-N 3.41Å; L326-L329 WeakPolarHBondContact O-CB 3.46Å; L326-L329 PolarHBondContact O-N 3.05Å; P327-L329 VanDerWaalsContact C-N 3.29Å; P327-L329 PolarHBondContact O-N 3.32Å; L329-G331 VanDerWaalsContact C-N 3.33Å; L329-F332 PolarHBondContact O-N 2.98Å; L329-G333 PolarHBondContact O-N 3.46Å; L329-A436 HydrophobicContact CD1-CB 3.61Å; L329-C439 HydrophobicContact CB-CB 4.03Å |
| 330 | I | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 170.1 | -53.4 | 176.9 | 0 | 0 | 0 | 109.7 | W295 V298 L326 P327 G333 L334 C439 V442 G443 | W295-I330 HydrophobicContact CE3-CB 4.09Å; W295-I330 HydrophobicContact CE3-CG2 3.46Å; W295-I330 VanDerWaalsContact CE3-CG2 3.46Å; W295-I330 HydrophobicContact CZ3-CB 4.08Å; W295-I330 HydrophobicContact CZ3-CG2 3.65Å; V298-I330 HydrophobicContact CG1-CD1 3.87Å; L326-I330 PolarHBondContact O-N 3.38Å; L326-I330 VanDerWaalsContact O-N 3.16Å; P327-I330 WeakPolarHBondContact O-CB 3.4Å; P327-I330 PolarHBondContact O-N 3.16Å; P327-I330 VanDerWaalsContact O-N 3.11Å; I330-G333 PolarHBondContact O-N 3.3Å; I330-L334 VanDerWaalsContact O-CB 3.3Å; I330-L334 WeakPolarHBondContact O-CB 3.49Å; I330-L334 PolarHBondContact O-N 2.95Å; I330-C439 WeakPolarHBondContact CA-O 3.26Å; I330-C439 HydrophobicContact CG1-CB 3.69Å; I330-C439 WeakPolarHBondContact CG1-O 3.25Å; I330-V442 HydrophobicContact CG2-CG1 4.15Å; I330-G443 WeakPolarHBondContact O-CA 3.49Å |
| 331 | G | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G110 P327 S328 L329 L334 L335 | G110-G331 WeakPolarHBondContact CA-O 3.44Å; P327-G331 PolarHBondContact O-N 3.36Å; S328-G331 CarbonylContact O-C 3.5Å; S328-G331 PolarHBondContact O-N 3.2Å; L329-G331 VanDerWaalsContact C-N 3.33Å; G331-L334 WeakPolarHBondContact O-CB 3.46Å; G331-L334 PolarHBondContact O-N 3.43Å; G331-L335 PolarHBondContact O-N 3.42Å; G331-L335 VanDerWaalsContact O-N 3.11Å |
| 332 | F | 94.5 | Very high | 93.9 | Very high | 91 Ų | 91 | 29.9 Ų | 29.9 | 40% | 0.399 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68.4 | -41 | 176.1 | -172.5 | -116.1 | 0 | 0 | 0 | 112.2 | F114 S328 L329 L334 L335 F336 F440 | F114-F332 HydrophobicContact CD2-CB 4.17Å; S328-F332 WeakPolarHBondContact O-CB 3.22Å; S328-F332 PolarHBondContact O-N 3.12Å; L329-F332 PolarHBondContact O-N 2.98Å; F332-L334 VanDerWaalsContact C-N 3.31Å; F332-L334 PolarHBondContact O-N 3.25Å; F332-L335 WeakPolarHBondContact O-CB 3.44Å; F332-L335 PolarHBondContact O-N 3.37Å; F332-F336 PolarHBondContact O-N 3.01Å; F332-F336 VanDerWaalsContact O-N 3.13Å; F332-F440 AromaticContact CD1-CD2 3.88Å; F332-F440 HydrophobicContact CD1-CD2 3.88Å; F332-F440 AromaticContact CD1-CE2 3.53Å; F332-F440 HydrophobicContact CD1-CE2 3.53Å; F332-F440 AromaticContact CE1-CE2 3.88Å; F332-F440 HydrophobicContact CE1-CE2 3.88Å; F332-F440 HydrophobicContact CG-CE2 4.48Å |
| 333 | G | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L329 I330 L335 F336 G337 F440 G443 I444 | L329-G333 PolarHBondContact O-N 3.46Å; I330-G333 PolarHBondContact O-N 3.3Å; G333-L335 PolarHBondContact O-N 2.86Å; G333-F336 PolarHBondContact O-N 3.32Å; G333-G337 PolarHBondContact O-N 3.24Å; G333-F440 WeakPolarHBondContact CA-O 3.43Å; G333-G443 CarbonylContact C-O 3.12Å; G333-G443 CarbonylContact O-C 3.56Å; G333-I444 VanDerWaalsContact C-N 3.34Å; G333-I444 VanDerWaalsContact O-CA 3.27Å; G333-I444 WeakPolarHBondContact O-CA 3.3Å; G333-I444 WeakPolarHBondContact O-CG1 3.36Å; G333-I444 PolarHBondContact O-N 2.95Å |
| 334 | L | 96.5 | Very high | 94.6 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 176 | 178.8 | 70.3 | 0 | 0 | 0 | 111.3 | W295 I330 G331 F332 G337 Q338 G443 N446 Y450 | W295-L334 HydrophobicContact CH2-CD2 4.22Å; W295-L334 HydrophobicContact CZ3-CD2 4.23Å; I330-L334 VanDerWaalsContact O-CB 3.3Å; I330-L334 WeakPolarHBondContact O-CB 3.49Å; I330-L334 PolarHBondContact O-N 2.95Å; G331-L334 WeakPolarHBondContact O-CB 3.46Å; G331-L334 PolarHBondContact O-N 3.43Å; F332-L334 VanDerWaalsContact C-N 3.31Å; F332-L334 PolarHBondContact O-N 3.25Å; L334-G337 PolarHBondContact O-N 2.94Å; L334-Q338 VanDerWaalsContact O-CG 3.22Å; L334-Q338 WeakPolarHBondContact O-CG 3.32Å; L334-Q338 PolarHBondContact O-N 2.96Å; L334-Q338 PolarHBondContact O-OE1 3.45Å; L334-G443 VanDerWaalsContact CA-O 3.25Å; L334-G443 WeakPolarHBondContact CA-O 3.36Å; L334-G443 VanDerWaalsContact N-C 3.3Å; L334-G443 PolarHBondContact N-O 3.28Å; L334-N446 HydrophobicContact CD1-CB 3.93Å; L334-Y450 HydrophobicContact CD1-CD2 3.76Å; L334-Y450 HydrophobicContact CD1-CE2 4.02Å |
| 335 | L | 96.5 | Very high | 94.8 | Very high | 34 Ų | 34 | 32 Ų | 32 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 174.4 | 174.9 | 60.9 | 0 | 0 | 0 | 111.7 | C107 V111 G331 F332 G333 G337 Q338 L339 | C107-L335 HydrophobicContact CB-CD1 3.6Å; V111-L335 HydrophobicContact CG2-CD1 3.85Å; V111-L335 HydrophobicContact CG2-CD2 4.03Å; G331-L335 PolarHBondContact O-N 3.42Å; G331-L335 VanDerWaalsContact O-N 3.11Å; F332-L335 WeakPolarHBondContact O-CB 3.44Å; F332-L335 PolarHBondContact O-N 3.37Å; G333-L335 PolarHBondContact O-N 2.86Å; L335-G337 VanDerWaalsContact C-N 3.35Å; L335-G337 PolarHBondContact O-N 3.06Å; L335-Q338 PolarHBondContact O-N 3.07Å; L335-L339 PolarHBondContact O-N 3.27Å |
| 336 | F | 96.5 | Very high | 94.8 | Very high | 103 Ų | 103 | 28.3 Ų | 28.3 | 45% | 0.452 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62.8 | -42.8 | -178.8 | -172.5 | -88.7 | 0 | 0 | 0 | 111.8 | F332 G333 Q338 L339 F340 F440 I444 | F332-F336 PolarHBondContact O-N 3.01Å; F332-F336 VanDerWaalsContact O-N 3.13Å; G333-F336 PolarHBondContact O-N 3.32Å; F336-Q338 PolarHBondContact O-N 3.3Å; F336-L339 PolarHBondContact O-N 3.28Å; F336-F340 HydrophobicContact CD1-CB 4.35Å; F336-F340 HydrophobicContact CE1-CB 4.19Å; F336-F340 HydrophobicContact CE1-CG 4.49Å; F336-F340 VanDerWaalsContact O-CB 3.25Å; F336-F340 WeakPolarHBondContact O-CB 3.36Å; F336-F340 PolarHBondContact O-N 2.96Å; F336-F440 HydrophobicContact CB-CE2 4.45Å; F336-F440 HydrophobicContact CB-CZ 4.34Å; F336-F440 HydrophobicContact CG-CZ 4.36Å; F336-I444 HydrophobicContact CB-CG1 4.48Å; F336-I444 HydrophobicContact CD1-CD1 3.78Å; F336-I444 HydrophobicContact CD1-CG1 4.03Å; F336-I444 HydrophobicContact CE1-CD1 4.33Å |
| 337 | G | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G333 L334 L335 L339 F340 Y341 | G333-G337 PolarHBondContact O-N 3.24Å; L334-G337 PolarHBondContact O-N 2.94Å; L335-G337 VanDerWaalsContact C-N 3.35Å; L335-G337 PolarHBondContact O-N 3.06Å; G337-L339 VanDerWaalsContact C-N 3.33Å; G337-L339 PolarHBondContact O-N 2.85Å; G337-F340 PolarHBondContact O-N 3.29Å; G337-Y341 WeakPolarHBondContact O-CB 3.47Å; G337-Y341 VanDerWaalsContact O-CD2 3.27Å; G337-Y341 WeakPolarHBondContact O-CD2 3.42Å; G337-Y341 PolarHBondContact O-N 3.44Å |
| 338 | Q | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 180 | -71.7 | 163.1 | -17.7 | 0 | 0 | 112.2 | G103 M106 S109 L334 L335 F336 G342 V451 | G103-Q338 VanDerWaalsContact CA-O 3.26Å; G103-Q338 WeakPolarHBondContact CA-O 3.46Å; M106-Q338 VanDerWaalsContact C-CD 3.46Å; M106-Q338 HydrophobicContact CB-CB 4.32Å; M106-Q338 HydrophobicContact CB-CG 3.87Å; M106-Q338 VanDerWaalsContact O-CD 3.31Å; M106-Q338 PolarHBondContact O-NE2 3Å; M106-Q338 PolarHBondContact O-OE1 3.44Å; S109-Q338 PolarHBondContact OG-NE2 3.41Å; L334-Q338 VanDerWaalsContact O-CG 3.22Å; L334-Q338 WeakPolarHBondContact O-CG 3.32Å; L334-Q338 PolarHBondContact O-N 2.96Å; L334-Q338 PolarHBondContact O-OE1 3.45Å; L335-Q338 PolarHBondContact O-N 3.07Å; F336-Q338 PolarHBondContact O-N 3.3Å; Q338-G342 PolarHBondContact O-N 2.9Å; Q338-V451 HydrophobicContact CB-CG2 4.05Å; Q338-V451 HydrophobicContact CG-CG2 4.09Å |
| 339 | L | 97 | Very high | 92.3 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.7 | -49.5 | 173.7 | -70.1 | 172.2 | 0 | 0 | 0 | 112 | L104 C107 L335 F336 G337 G342 L343 | L104-L339 HydrophobicContact CD2-CD2 3.7Å; L104-L339 HydrophobicContact CG-CD2 4.44Å; C107-L339 WeakPolarHBondContact SG-CD2 3.34Å; C107-L339 WeakPolarHBondContact SG-CG 3.3Å; L335-L339 PolarHBondContact O-N 3.27Å; F336-L339 PolarHBondContact O-N 3.28Å; G337-L339 VanDerWaalsContact C-N 3.33Å; G337-L339 PolarHBondContact O-N 2.85Å; L339-G342 PolarHBondContact O-N 3.17Å; L339-L343 WeakPolarHBondContact O-CB 3.19Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.46Å; L339-L343 PolarHBondContact O-N 3.43Å |
| 340 | F | 97 | Very high | 90.5 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 40% | 0.399 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.6 | -51.7 | -176.6 | 174.6 | -105.1 | 0 | 0 | 0 | 112.3 | F336 G337 G342 L343 I344 | F336-F340 HydrophobicContact CD1-CB 4.35Å; F336-F340 HydrophobicContact CE1-CB 4.19Å; F336-F340 HydrophobicContact CE1-CG 4.49Å; F336-F340 VanDerWaalsContact O-CB 3.25Å; F336-F340 WeakPolarHBondContact O-CB 3.36Å; F336-F340 PolarHBondContact O-N 2.96Å; G337-F340 PolarHBondContact O-N 3.29Å; F340-G342 VanDerWaalsContact C-N 3.34Å; F340-G342 PolarHBondContact O-N 2.73Å; F340-L343 PolarHBondContact O-N 3.22Å; F340-I344 HydrophobicContact CD1-CD1 4.02Å; F340-I344 HydrophobicContact CD2-CD1 4Å; F340-I344 HydrophobicContact CE1-CD1 3.44Å; F340-I344 VanDerWaalsContact CE1-CD1 3.44Å; F340-I344 HydrophobicContact CE2-CD1 3.42Å; F340-I344 VanDerWaalsContact CE2-CD1 3.42Å; F340-I344 HydrophobicContact CE2-CG1 4.35Å; F340-I344 HydrophobicContact CG-CD1 4.29Å; F340-I344 HydrophobicContact CZ-CD1 3.11Å; F340-I344 HydrophobicContact CZ-CG1 4.41Å; F340-I344 PolarHBondContact O-N 3Å |
| 341 | Y | 97 | Very high | 88.4 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 5% | 0.051 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68 | -35.1 | 178.3 | -79.2 | -87.4 | 0 | 0 | 0 | 111.8 | G337 T345 I394 T398 I444 G448 | G337-Y341 WeakPolarHBondContact O-CB 3.47Å; G337-Y341 VanDerWaalsContact O-CD2 3.27Å; G337-Y341 WeakPolarHBondContact O-CD2 3.42Å; G337-Y341 PolarHBondContact O-N 3.44Å; Y341-T345 WeakPolarHBondContact O-CB 3.34Å; Y341-T345 WeakPolarHBondContact O-CG2 3.27Å; Y341-T345 PolarHBondContact O-N 3.35Å; Y341-T345 PolarHBondContact O-OG1 3.49Å; Y341-I394 HydrophobicContact CD1-CG2 3.51Å; Y341-I394 HydrophobicContact CE1-CG2 3.48Å; Y341-I394 VanDerWaalsContact CE1-CG2 3.48Å; Y341-T398 HydrophobicContact CE1-CG2 4.48Å; Y341-T398 WeakPolarHBondContact CE1-OG1 3.37Å; Y341-T398 PolarHBondContact OH-OG1 3.43Å; Y341-I444 HydrophobicContact CE2-CG2 4.13Å; Y341-G448 VanDerWaalsContact CE2-CA 3.48Å |
| 342 | G | 95.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G99 L100 Q338 L339 F340 T345 S346 | G99-G342 VanDerWaalsContact C-CA 3.46Å; G99-G342 CarbonylContact C-O 3.57Å; G99-G342 WeakPolarHBondContact O-CA 3.38Å; L100-G342 PolarHBondContact N-O 3.48Å; Q338-G342 PolarHBondContact O-N 2.9Å; L339-G342 PolarHBondContact O-N 3.17Å; F340-G342 VanDerWaalsContact C-N 3.34Å; F340-G342 PolarHBondContact O-N 2.73Å; G342-T345 PolarHBondContact O-OG1 3.38Å; G342-S346 WeakPolarHBondContact O-CB 3.39Å; G342-S346 PolarHBondContact O-N 3.26Å; G342-S346 PolarHBondContact O-OG 2.89Å |
| 343 | L | 95.1 | Very high | 83.8 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 38% | 0.382 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.2 | -50.7 | 175.2 | -74.4 | 169 | 0 | 0 | 0 | 112 | L100 L339 F340 T345 S346 Q347 | L100-L343 HydrophobicContact CD1-CD2 3.61Å; L100-L343 HydrophobicContact CD1-CG 3.88Å; L100-L343 HydrophobicContact CD2-CD2 4.09Å; L100-L343 HydrophobicContact CG-CD2 4.4Å; L339-L343 WeakPolarHBondContact O-CB 3.19Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.46Å; L339-L343 PolarHBondContact O-N 3.43Å; F340-L343 PolarHBondContact O-N 3.22Å; L343-T345 VanDerWaalsContact C-N 3.34Å; L343-T345 PolarHBondContact O-N 2.98Å; L343-S346 PolarHBondContact O-N 2.86Å; L343-Q347 WeakPolarHBondContact O-CB 3.24Å; L343-Q347 WeakPolarHBondContact O-CG 3.39Å; L343-Q347 PolarHBondContact O-N 3.5Å |
| 344 | I | 94.1 | Very high | 80.9 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | -177.9 | -75.8 | 176.2 | 0 | 0 | 0 | 111.3 | F340 S346 Q347 F348 F390 I394 | F340-I344 HydrophobicContact CD1-CD1 4.02Å; F340-I344 HydrophobicContact CD2-CD1 4Å; F340-I344 HydrophobicContact CE1-CD1 3.44Å; F340-I344 VanDerWaalsContact CE1-CD1 3.44Å; F340-I344 HydrophobicContact CE2-CD1 3.42Å; F340-I344 VanDerWaalsContact CE2-CD1 3.42Å; F340-I344 HydrophobicContact CE2-CG1 4.35Å; F340-I344 HydrophobicContact CG-CD1 4.29Å; F340-I344 HydrophobicContact CZ-CD1 3.11Å; F340-I344 HydrophobicContact CZ-CG1 4.41Å; F340-I344 PolarHBondContact O-N 3Å; I344-S346 VanDerWaalsContact C-N 3.28Å; I344-S346 PolarHBondContact O-N 3.41Å; I344-Q347 PolarHBondContact O-N 2.9Å; I344-F348 HydrophobicContact CG2-CD2 4.24Å; I344-F348 WeakPolarHBondContact O-CB 3.23Å; I344-F348 PolarHBondContact O-N 3.26Å; I344-F390 HydrophobicContact CG2-CZ 4.19Å; I344-I394 HydrophobicContact CG2-CD1 3.75Å |
| 345 | T | 92.3 | Very high | 77.9 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.3 | -27.2 | -179.4 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | Y341 G342 L343 G349 I394 M452 Q455 | Y341-T345 WeakPolarHBondContact O-CB 3.34Å; Y341-T345 WeakPolarHBondContact O-CG2 3.27Å; Y341-T345 PolarHBondContact O-N 3.35Å; Y341-T345 PolarHBondContact O-OG1 3.49Å; G342-T345 PolarHBondContact O-OG1 3.38Å; L343-T345 VanDerWaalsContact C-N 3.34Å; L343-T345 PolarHBondContact O-N 2.98Å; T345-G349 WeakPolarHBondContact O-CA 3.5Å; T345-G349 PolarHBondContact O-N 3.33Å; T345-I394 HydrophobicContact CG2-CD1 3.74Å; T345-M452 HydrophobicContact CG2-CE 3.21Å; T345-M452 HydrophobicContact CG2-SD 4.09Å; T345-Q455 VanDerWaalsContact CB-OE1 3.27Å; T345-Q455 PolarHBondContact OG1-NE2 2.6Å; T345-Q455 PolarHBondContact OG1-OE1 3.06Å |
| 346 | S | 89.6 | Confident | 74.9 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.2 | -44.5 | 172.2 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | S96 G99 L100 G342 L343 I344 | S96-S346 WeakPolarHBondContact O-CA 3.48Å; S96-S346 WeakPolarHBondContact O-CB 3.14Å; G99-S346 WeakPolarHBondContact CA-OG 3.38Å; G99-S346 PolarHBondContact N-OG 3.26Å; L100-S346 WeakPolarHBondContact CB-OG 3.34Å; L100-S346 PolarHBondContact N-OG 3.05Å; G342-S346 WeakPolarHBondContact O-CB 3.39Å; G342-S346 PolarHBondContact O-N 3.26Å; G342-S346 PolarHBondContact O-OG 2.89Å; L343-S346 PolarHBondContact O-N 2.86Å; I344-S346 VanDerWaalsContact C-N 3.28Å; I344-S346 PolarHBondContact O-N 3.41Å |
| 347 | Q | 83.7 | Confident | 72.1 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -74.2 | -42 | -174 | -73.2 | -175.6 | -11.1 | 0 | 0 | 112.7 | L343 I344 | L343-Q347 WeakPolarHBondContact O-CB 3.24Å; L343-Q347 WeakPolarHBondContact O-CG 3.39Å; L343-Q347 PolarHBondContact O-N 3.5Å; I344-Q347 PolarHBondContact O-N 2.9Å |
| 348 | F | 75.7 | Confident | 68.9 | Low | 93 Ų | 93 | 56.6 Ų | 56.6 | 41% | 0.408 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -102.3 | -12.3 | -171.5 | -65.2 | -83.7 | 0 | 0 | 0 | 113.4 | I344 D350 I351 F390 | I344-F348 HydrophobicContact CG2-CD2 4.24Å; I344-F348 WeakPolarHBondContact O-CB 3.23Å; I344-F348 PolarHBondContact O-N 3.26Å; F348-D350 PolarHBondContact O-N 2.97Å; F348-I351 HydrophobicContact CD1-CD1 3.7Å; F348-I351 HydrophobicContact CE1-CD1 4.1Å; F348-I351 HydrophobicContact CG-CD1 4.47Å; F348-I351 PolarHBondContact O-N 3.27Å; F348-F390 HydrophobicContact CB-CE1 3.97Å; F348-F390 HydrophobicContact CB-CE2 3.96Å; F348-F390 HydrophobicContact CB-CZ 3.36Å; F348-F390 HydrophobicContact CG-CZ 4.47Å |
| 349 | G | 62.1 | Low | 65.9 | Low | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T345 | T345-G349 WeakPolarHBondContact O-CA 3.5Å; T345-G349 PolarHBondContact O-N 3.33Å |
| 350 | D | 57.2 | Low | 62.9 | Low | 53 Ų | 53 | 66.2 Ų | 66.2 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -31.4 | 177.1 | -71.9 | -29.4 | 0 | 0 | 0 | 112.7 | S96 F348 G352 T353 | S96-D350 WeakPolarHBondContact CB-OD2 3.47Å; F348-D350 PolarHBondContact O-N 2.97Å; D350-G352 VanDerWaalsContact C-N 3.29Å; D350-G352 PolarHBondContact O-N 3.35Å; D350-T353 WeakPolarHBondContact O-CB 3.38Å; D350-T353 PolarHBondContact O-N 2.85Å; D350-T353 PolarHBondContact O-OG1 3.17Å |
| 351 | I | 49.7 | Very low | 60 | Low | 72 Ų | 72 | 67.5 Ų | 67.5 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -33.8 | -176.4 | -63.7 | 177.1 | 0 | 0 | 0 | 112.2 | F348 T353 C354 F355 | F348-I351 HydrophobicContact CD1-CD1 3.7Å; F348-I351 HydrophobicContact CE1-CD1 4.1Å; F348-I351 HydrophobicContact CG-CD1 4.47Å; F348-I351 PolarHBondContact O-N 3.27Å; I351-T353 PolarHBondContact O-N 3.4Å; I351-T353 VanDerWaalsContact O-N 3.16Å; I351-C354 PolarHBondContact O-N 2.73Å; I351-C354 VanDerWaalsContact O-N 3.12Å; I351-F355 HydrophobicContact CG2-CD2 3.65Å; I351-F355 HydrophobicContact CG2-CE2 3.87Å; I351-F355 PolarHBondContact O-N 3.39Å; I351-F355 VanDerWaalsContact O-N 3.15Å |
| 352 | G | 46.4 | Very low | 56.7 | Low | 28 Ų | 28 | 71.3 Ų | 71.3 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.8 | -20.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D350 S386 | D350-G352 VanDerWaalsContact C-N 3.29Å; D350-G352 PolarHBondContact O-N 3.35Å; G352-S386 WeakPolarHBondContact O-CB 3.23Å; G352-S386 PolarHBondContact O-OG 3.02Å |
| 353 | T | 44.9 | Very low | 53.5 | Low | 23 Ų | 23 | 80.4 Ų | 80.4 | 14% | 0.141 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -80.8 | -40.5 | 173.1 | 69.4 | 0 | 0 | 0 | 0 | 112 | D350 I351 S386 | D350-T353 WeakPolarHBondContact O-CB 3.38Å; D350-T353 PolarHBondContact O-N 2.85Å; D350-T353 PolarHBondContact O-OG1 3.17Å; I351-T353 PolarHBondContact O-N 3.4Å; I351-T353 VanDerWaalsContact O-N 3.16Å; T353-S386 WeakPolarHBondContact CG2-OG 3.38Å |
| 354 | C | 36.9 | Very low | 50.3 | Low | 78 Ų | 78 | 82.9 Ų | 82.9 | 53% | 0.527 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | -179.9 | -79.8 | 0 | 0 | 0 | 0 | 113.5 | I351 K356 N357 N358 | I351-C354 PolarHBondContact O-N 2.73Å; I351-C354 VanDerWaalsContact O-N 3.12Å; C354-K356 VanDerWaalsContact C-N 3.31Å; C354-K356 PolarHBondContact O-N 3.46Å; C354-N357 PolarHBondContact O-N 3.34Å; C354-N358 PolarHBondContact O-N 2.96Å |
| 355 | F | 33 | Very low | 47 | Very low | 143 Ų | 143 | 89.4 Ų | 89.4 | 63% | 0.627 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.9 | -29.6 | -176.7 | -99 | -82.8 | 0 | 0 | 0 | 113.8 | I351 | I351-F355 HydrophobicContact CG2-CD2 3.65Å; I351-F355 HydrophobicContact CG2-CE2 3.87Å; I351-F355 PolarHBondContact O-N 3.39Å; I351-F355 VanDerWaalsContact O-N 3.15Å |
| 356 | K | 34 | Very low | 43.7 | Very low | 119 Ų | 119 | 97 Ų | 97 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76.9 | -35 | 176.1 | -106.5 | -176.4 | 178 | 179.1 | 0 | 112.7 | C354 N359 Q360 | C354-K356 VanDerWaalsContact C-N 3.31Å; C354-K356 PolarHBondContact O-N 3.46Å; K356-N359 PolarHBondContact O-N 3.26Å; K356-Q360 PolarHBondContact O-N 2.93Å; K356-Q360 VanDerWaalsContact O-N 3.13Å |
| 357 | N | 36.5 | Very low | 40.7 | Very low | 56 Ų | 56 | 99.9 Ų | 99.9 | 30% | 0.299 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175.9 | -78.2 | -0.1 | 0 | 0 | 0 | 111.2 | C354 N359 Q360 D361 | C354-N357 PolarHBondContact O-N 3.34Å; N357-N359 VanDerWaalsContact C-N 3.26Å; N357-N359 PolarHBondContact O-N 2.89Å; N357-Q360 PolarHBondContact O-N 2.97Å; N357-Q360 VanDerWaalsContact O-N 3.1Å; N357-D361 WeakPolarHBondContact O-CB 3.27Å; N357-D361 PolarHBondContact O-N 3.04Å |
| 358 | N | 32.4 | Very low | 37.9 | Very low | 105 Ų | 105 | 99.6 Ų | 99.6 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.8 | -33.2 | 176.7 | -76.1 | -3.1 | 0 | 0 | 0 | 113.3 | C354 S362 | C354-N358 PolarHBondContact O-N 2.96Å; N358-S362 PolarHBondContact O-N 3.22Å; N358-S362 PolarHBondContact O-OG 2.89Å |
| 359 | N | 33.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 102.3 Ų | 102.3 | 64% | 0.642 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -79.9 | -21.7 | 177.8 | -79.8 | -12.6 | 0 | 0 | 0 | 114 | K356 N357 | K356-N359 PolarHBondContact O-N 3.26Å; N357-N359 VanDerWaalsContact C-N 3.26Å; N357-N359 PolarHBondContact O-N 2.89Å |
| 360 | Q | 34.9 | Very low | 33.6 | Very low | 141 Ų | 141 | 108 Ų | 108 | 66% | 0.659 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -85.6 | -35 | 172.9 | -75.7 | -172.7 | -28.4 | 0 | 0 | 111.9 | K356 N357 S362 K363 | K356-Q360 PolarHBondContact O-N 2.93Å; K356-Q360 VanDerWaalsContact O-N 3.13Å; N357-Q360 PolarHBondContact O-N 2.97Å; N357-Q360 VanDerWaalsContact O-N 3.1Å; Q360-S362 PolarHBondContact O-N 3.44Å; Q360-K363 PolarHBondContact O-N 3.04Å |
| 361 | D | 34.4 | Very low | 32 | Very low | 118 Ų | 118 | 110.9 Ų | 110.9 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.9 | -21.9 | 175.9 | -69.3 | -27 | 0 | 0 | 0 | 112.4 | N357 K363 | N357-D361 WeakPolarHBondContact O-CB 3.27Å; N357-D361 PolarHBondContact O-N 3.04Å; D361-K363 PolarHBondContact O-N 2.95Å; D361-K363 VanDerWaalsContact O-N 3.14Å |
| 362 | S | 28.8 | Very low | 30.8 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 1.3 | 174.4 | -58.9 | 0 | 0 | 0 | 0 | 114.7 | N358 Q360 | N358-S362 PolarHBondContact O-N 3.22Å; N358-S362 PolarHBondContact O-OG 2.89Å; Q360-S362 PolarHBondContact O-N 3.44Å |
| 363 | K | 27.9 | Very low | 29.8 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 83% | 0.83 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 10.6 | 178.3 | -86.5 | -168.6 | 175.8 | -175.3 | 0 | 115.4 | Q360 D361 | Q360-K363 PolarHBondContact O-N 3.04Å; D361-K363 PolarHBondContact O-N 2.95Å; D361-K363 VanDerWaalsContact O-N 3.14Å |
| 364 | V | 28.6 | Very low | 28.7 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | trans | -129.3 | 63 | 173.4 | -166.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 365 | E | 24.9 | Very low | 28.2 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | trans | -98 | 93.2 | 158.3 | -78.3 | -170.8 | 163.7 | 0 | 0 | 108.3 | ||||
| 366 | N | 23.3 | Very low | 27.8 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -175.5 | 105.8 | 145.4 | -91.5 | -24.9 | 0 | 0 | 0 | 109.9 | ||||
| 367 | G | 25.1 | Very low | 27.5 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 109 | 121.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 368 | S | 26 | Very low | 27.1 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 83.6 | 105.5 | 154.1 | 72.6 | 0 | 0 | 0 | 0 | 119 | C370 | S368-C370 PolarHBondContact O-N 3.01Š| ||
| 369 | T | 23.2 | Very low | 27.2 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | trans | -43.9 | 105.4 | 152.8 | 43.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 370 | C | 23.3 | Very low | 27.1 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -114.9 | 108.7 | 163.5 | -151.7 | 0 | 0 | 0 | 0 | 109 | S368 | S368-C370 PolarHBondContact O-N 3.01Š| ||
| 371 | C | 24.2 | Very low | 27 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -57.2 | 149.7 | 162 | -76.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 372 | Q | 24.8 | Very low | 27.3 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | 123.9 | 100.3 | 149.7 | -69.3 | 179.8 | -23.1 | 0 | 0 | 114.9 | N374 | Q372-N374 PolarHBondContact O-N 3.48Š| ||
| 373 | R | 24.9 | Very low | 28.2 | Very low | 248 Ų | 248 | 139.3 Ų | 139.3 | 94% | 0.936 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 39.9 | -8.4 | 134.6 | -106.3 | 175.9 | 178.1 | 164.3 | -1 | 123.4 | ||
| 374 | N | 22.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -105.3 | -1.1 | 178.3 | -74.2 | -5.1 | 0 | 0 | 0 | 114.2 | Q372 F376 Q377 | Q372-N374 PolarHBondContact O-N 3.48Å; N374-F376 VanDerWaalsContact C-N 3.25Å; N374-F376 PolarHBondContact O-N 3.11Å; N374-Q377 PolarHBondContact O-N 3.5Å | ||
| 375 | C | 24.7 | Very low | 31.3 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -72.9 | -13 | 173.3 | -112.7 | 0 | 0 | 0 | 0 | 114.2 | Q377 S378 | C375-Q377 PolarHBondContact O-N 3.28Å; C375-S378 PolarHBondContact O-N 3.17Å |
| 376 | F | 26.2 | Very low | 33.8 | Very low | 184 Ų | 184 | 124.3 Ų | 124.3 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -72.7 | -15.2 | 177 | -123.7 | -87.5 | 0 | 0 | 0 | 113.4 | N374 | N374-F376 VanDerWaalsContact C-N 3.25Å; N374-F376 PolarHBondContact O-N 3.11Å |
| 377 | Q | 26.8 | Very low | 36.7 | Very low | 173 Ų | 173 | 118.4 Ų | 118.4 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -89.4 | -8 | 177.4 | -80.4 | -177 | -19.2 | 0 | 0 | 114.2 | N374 C375 | N374-Q377 PolarHBondContact O-N 3.5Å; C375-Q377 PolarHBondContact O-N 3.28Å |
| 378 | S | 28.4 | Very low | 39.8 | Very low | 85 Ų | 85 | 116 Ų | 116 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -92.3 | -9.2 | 179.8 | -164 | 0 | 0 | 0 | 0 | 114.6 | C375 N380 | C375-S378 PolarHBondContact O-N 3.17Å; S378-N380 VanDerWaalsContact C-N 3.31Å; S378-N380 PolarHBondContact O-N 2.7Å |
| 379 | I | 34.6 | Very low | 42.9 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 62% | 0.621 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -14.5 | -177.1 | -63.4 | 176.3 | 0 | 0 | 0 | 112.7 | ||
| 380 | N | 31.3 | Very low | 46.2 | Very low | 143 Ų | 143 | 110.6 Ų | 110.6 | 77% | 0.765 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 12.2 | -172.4 | -99.9 | -2.3 | 0 | 0 | 0 | 116.6 | S378 K382 | S378-N380 VanDerWaalsContact C-N 3.31Å; S378-N380 PolarHBondContact O-N 2.7Å; N380-K382 PolarHBondContact O-N 2.87Å |
| 381 | K | 32.8 | Very low | 49.5 | Very low | 174 Ų | 174 | 104.9 Ų | 104.9 | 76% | 0.757 | 54% | 0.535 | S | S | * | . | trans | -74.5 | 79 | 164.8 | -78.9 | -174.1 | 179.3 | 176.2 | 0 | 108.9 | C383 | K381-C383 PolarHBondContact O-N 3.42Š| ||
| 382 | K | 41.6 | Very low | 52.9 | Low | 103 Ų | 103 | 99.8 Ų | 99.8 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | trans | -42.8 | 113.6 | 159.7 | -82.4 | 179.6 | 171.6 | 176.4 | 0 | 106.2 | N380 P384 | N380-K382 PolarHBondContact O-N 2.87Å; K382-P384 WeakPolarHBondContact O-CD 3.45Å; K382-P384 VanDerWaalsContact O-N 3.15Å | ||
| 383 | C | 46 | Very low | 56.2 | Low | 46 Ų | 46 | 93.5 Ų | 93.5 | 31% | 0.311 | 48% | 0.478 | S | S | . | . | trans | -72.2 | 104.5 | 174.9 | -90.2 | 0 | 0 | 0 | 0 | 107.5 | K381 S385 S386 | K381-C383 PolarHBondContact O-N 3.42Å; C383-S385 PolarHBondContact O-N 3.45Å; C383-S386 PolarHBondContact O-N 3.42Å; C383-S386 VanDerWaalsContact O-N 3.12Å; C383-S386 PolarHBondContact O-OG 3.5Å; C383-S386 VanDerWaalsContact O-OG 3.07Å | ||
| 384 | P | 56.9 | Low | 59.6 | Low | 100 Ų | 100 | 82.5 Ų | 82.5 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.7 | -26.5 | -176.9 | 25.2 | -34.4 | 0 | 0 | 0 | 111.8 | K382 S386 Y388 | K382-P384 WeakPolarHBondContact O-CD 3.45Å; K382-P384 VanDerWaalsContact O-N 3.15Å; P384-S386 PolarHBondContact O-N 3.48Å; P384-Y388 PolarHBondContact O-N 2.83Å |
| 385 | S | 64.9 | Low | 63.2 | Low | 67 Ų | 67 | 76.1 Ų | 76.1 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.7 | -32.9 | 179 | 75.6 | 0 | 0 | 0 | 0 | 114.5 | C383 Q389 | C383-S385 PolarHBondContact O-N 3.45Å; S385-Q389 WeakPolarHBondContact O-CG 3.48Å; S385-Q389 PolarHBondContact O-N 3.14Å |
| 386 | S | 77.2 | Confident | 66.6 | Low | 13 Ų | 13 | 72.3 Ų | 72.3 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.4 | -39.4 | -179.3 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | G352 T353 C383 P384 Q389 F390 | G352-S386 WeakPolarHBondContact O-CB 3.23Å; G352-S386 PolarHBondContact O-OG 3.02Å; T353-S386 WeakPolarHBondContact CG2-OG 3.38Å; C383-S386 PolarHBondContact O-N 3.42Å; C383-S386 VanDerWaalsContact O-N 3.12Å; C383-S386 PolarHBondContact O-OG 3.5Å; C383-S386 VanDerWaalsContact O-OG 3.07Å; P384-S386 PolarHBondContact O-N 3.48Å; S386-Q389 PolarHBondContact O-N 2.95Å; S386-F390 WeakPolarHBondContact O-CB 3.49Å; S386-F390 PolarHBondContact O-N 3.16Å |
| 387 | K | 85.2 | Confident | 70 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 177.4 | -173.9 | 179.8 | 173.6 | -170.9 | 0 | 111.5 | Q389 F390 H391 D459 | K387-Q389 VanDerWaalsContact C-N 3.34Å; K387-Q389 PolarHBondContact O-N 3.43Å; K387-F390 PolarHBondContact O-N 3.27Å; K387-H391 WeakPolarHBondContact CE-CE1 3.23Å; K387-H391 PolarHBondContact O-N 3.38Å; K387-D459 WeakPolarHBondContact CE-OD1 3.08Å; K387-D459 IonicContact NZ-OD1 2.71Å |
| 388 | Y | 90.2 | Very high | 73.4 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.4 | -48.6 | 174.6 | 168 | -109.4 | 0 | 0 | 0 | 112.2 | P384 F390 H391 L392 L456 D459 I460 E520 | P384-Y388 PolarHBondContact O-N 2.83Å; Y388-F390 VanDerWaalsContact C-N 3.33Å; Y388-F390 PolarHBondContact O-N 2.9Å; Y388-H391 PolarHBondContact O-N 3.36Å; Y388-L392 HydrophobicContact CE1-CD2 4.15Å; Y388-L392 WeakPolarHBondContact O-CB 3.48Å; Y388-L392 PolarHBondContact O-N 3.21Å; Y388-L456 HydrophobicContact CD2-CD2 4.16Å; Y388-L456 HydrophobicContact CE2-CD2 4.27Å; Y388-D459 HydrophobicContact CD2-CB 4.3Å; Y388-I460 HydrophobicContact CD2-CG1 3.93Å; Y388-I460 HydrophobicContact CE2-CD1 4.01Å; Y388-I460 HydrophobicContact CE2-CG1 3.52Å; Y388-E520 PolarHBondContact OH-OE1 2.81Å |
| 389 | Q | 91 | Very high | 76.7 | Confident | 95 Ų | 95 | 56.5 Ų | 56.5 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | -179.1 | -70.5 | -70.2 | -28.1 | 0 | 0 | 112.3 | S385 S386 K387 A393 | S385-Q389 WeakPolarHBondContact O-CG 3.48Å; S385-Q389 PolarHBondContact O-N 3.14Å; S386-Q389 PolarHBondContact O-N 2.95Å; K387-Q389 VanDerWaalsContact C-N 3.34Å; K387-Q389 PolarHBondContact O-N 3.43Å; Q389-A393 WeakPolarHBondContact O-CB 3.47Å; Q389-A393 PolarHBondContact O-N 2.84Å |
| 390 | F | 92 | Very high | 79.7 | Confident | 55 Ų | 55 | 54 Ų | 54 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -50.6 | 175.4 | 175 | -108.3 | 0 | 0 | 0 | 112 | I344 F348 S386 K387 Y388 L392 A393 I394 | I344-F390 HydrophobicContact CG2-CZ 4.19Å; F348-F390 HydrophobicContact CB-CE1 3.97Å; F348-F390 HydrophobicContact CB-CE2 3.96Å; F348-F390 HydrophobicContact CB-CZ 3.36Å; F348-F390 HydrophobicContact CG-CZ 4.47Å; S386-F390 WeakPolarHBondContact O-CB 3.49Å; S386-F390 PolarHBondContact O-N 3.16Å; K387-F390 PolarHBondContact O-N 3.27Å; Y388-F390 VanDerWaalsContact C-N 3.33Å; Y388-F390 PolarHBondContact O-N 2.9Å; F390-L392 VanDerWaalsContact C-N 3.29Å; F390-L392 PolarHBondContact O-N 3.41Å; F390-A393 PolarHBondContact O-N 3.34Å; F390-I394 HydrophobicContact CD1-CD1 4.16Å; F390-I394 HydrophobicContact CE1-CD1 3.49Å; F390-I394 VanDerWaalsContact CE1-CD1 3.49Å; F390-I394 HydrophobicContact CE2-CD1 3.92Å; F390-I394 HydrophobicContact CE2-CG1 4.4Å; F390-I394 HydrophobicContact CZ-CD1 3.34Å; F390-I394 HydrophobicContact CZ-CG1 4.28Å; F390-I394 WeakPolarHBondContact O-CG1 3.41Å; F390-I394 PolarHBondContact O-N 2.88Å |
| 391 | H | 93.6 | Very high | 82.9 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 176.7 | -69.6 | 172.3 | 0 | 0 | 0 | 112.4 | K387 Y388 I394 F395 Q455 L456 D459 | K387-H391 WeakPolarHBondContact CE-CE1 3.23Å; K387-H391 PolarHBondContact O-N 3.38Å; Y388-H391 PolarHBondContact O-N 3.36Å; H391-I394 PolarHBondContact O-N 3.45Å; H391-F395 WeakPolarHBondContact O-CB 3.3Å; H391-F395 PolarHBondContact O-N 3.44Å; H391-Q455 PolarHBondContact CE1-OE1 2.86Å; H391-Q455 PolarHBondContact NE2-OE1 3.3Å; H391-L456 HydrophobicContact CB-CD2 3.67Å; H391-L456 HydrophobicContact CB-CG 4.1Å; H391-D459 IonicContact CE1-OD2 2.67Å; H391-D459 IonicContact CG-OD2 3.69Å; H391-D459 IonicContact ND1-OD2 3.58Å; H391-D459 PolarHBondContact ND1-OD2 3.17Å |
| 392 | L | 95.1 | Very high | 86 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.2 | -174.2 | 66.7 | 0 | 0 | 0 | 111.5 | Y388 F390 I394 F395 L396 L456 V516 E520 | Y388-L392 HydrophobicContact CE1-CD2 4.15Å; Y388-L392 WeakPolarHBondContact O-CB 3.48Å; Y388-L392 PolarHBondContact O-N 3.21Å; F390-L392 VanDerWaalsContact C-N 3.29Å; F390-L392 PolarHBondContact O-N 3.41Å; L392-I394 VanDerWaalsContact C-N 3.34Å; L392-I394 PolarHBondContact O-N 3.1Å; L392-F395 HydrophobicContact CD1-CD1 4.47Å; L392-F395 PolarHBondContact O-N 3.49Å; L392-L396 HydrophobicContact CG-CD1 4.4Å; L392-L396 WeakPolarHBondContact O-CG 3.02Å; L392-L396 PolarHBondContact O-N 2.95Å; L392-L456 HydrophobicContact CB-CD2 4.46Å; L392-V516 HydrophobicContact CD1-CG1 3.84Å; L392-E520 HydrophobicContact CD2-CG 3.87Å; L392-E520 WeakPolarHBondContact CD2-OE1 3.47Å |
| 393 | A | 95.1 | Very high | 88.7 | Confident | 45 Ų | 45 | 36.9 Ų | 36.9 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q389 F390 L396 I397 | Q389-A393 WeakPolarHBondContact O-CB 3.47Å; Q389-A393 PolarHBondContact O-N 2.84Å; F390-A393 PolarHBondContact O-N 3.34Å; A393-L396 PolarHBondContact O-N 3.02Å; A393-I397 VanDerWaalsContact O-CG1 3.3Å; A393-I397 WeakPolarHBondContact O-CG1 3.33Å; A393-I397 PolarHBondContact O-N 2.94Å |
| 394 | I | 95.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -50.8 | 174.2 | -70.6 | 179.9 | 0 | 0 | 0 | 110.3 | Y341 I344 T345 F390 H391 L392 L396 I397 T398 M452 | Y341-I394 HydrophobicContact CD1-CG2 3.51Å; Y341-I394 HydrophobicContact CE1-CG2 3.48Å; Y341-I394 VanDerWaalsContact CE1-CG2 3.48Å; I344-I394 HydrophobicContact CG2-CD1 3.75Å; T345-I394 HydrophobicContact CG2-CD1 3.74Å; F390-I394 HydrophobicContact CD1-CD1 4.16Å; F390-I394 HydrophobicContact CE1-CD1 3.49Å; F390-I394 VanDerWaalsContact CE1-CD1 3.49Å; F390-I394 HydrophobicContact CE2-CD1 3.92Å; F390-I394 HydrophobicContact CE2-CG1 4.4Å; F390-I394 HydrophobicContact CZ-CD1 3.34Å; F390-I394 HydrophobicContact CZ-CG1 4.28Å; F390-I394 WeakPolarHBondContact O-CG1 3.41Å; F390-I394 PolarHBondContact O-N 2.88Å; H391-I394 PolarHBondContact O-N 3.45Å; L392-I394 VanDerWaalsContact C-N 3.34Å; L392-I394 PolarHBondContact O-N 3.1Å; I394-L396 VanDerWaalsContact C-N 3.31Å; I394-L396 PolarHBondContact O-N 2.81Å; I394-I397 PolarHBondContact O-N 3.32Å; I394-I397 VanDerWaalsContact O-N 3.16Å; I394-T398 PolarHBondContact O-N 3.08Å; I394-T398 PolarHBondContact O-OG1 3.48Å; I394-M452 HydrophobicContact CB-SD 4.34Å; I394-M452 HydrophobicContact CG2-CE 4.37Å; I394-M452 HydrophobicContact CG2-CG 4.37Å; I394-M452 HydrophobicContact CG2-SD 3.86Å |
| 395 | F | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.2 | -43.3 | 178.1 | 174.1 | -106.6 | 0 | 0 | 0 | 112.7 | Y280 H391 L392 T398 L399 L449 M452 L456 V516 | Y280-F395 HydrophobicContact CD2-CD1 4.48Å; Y280-F395 HydrophobicContact CD2-CE1 4.05Å; Y280-F395 HydrophobicContact CD2-CZ 4.16Å; Y280-F395 HydrophobicContact CE2-CD1 4.17Å; Y280-F395 HydrophobicContact CE2-CD2 4.08Å; Y280-F395 AromaticContact CE2-CE1 3.9Å; Y280-F395 HydrophobicContact CE2-CE1 3.9Å; Y280-F395 AromaticContact CE2-CE2 3.82Å; Y280-F395 HydrophobicContact CE2-CE2 3.82Å; Y280-F395 HydrophobicContact CE2-CG 4.25Å; Y280-F395 AromaticContact CE2-CZ 3.72Å; Y280-F395 HydrophobicContact CE2-CZ 3.72Å; H391-F395 WeakPolarHBondContact O-CB 3.3Å; H391-F395 PolarHBondContact O-N 3.44Å; L392-F395 HydrophobicContact CD1-CD1 4.47Å; L392-F395 PolarHBondContact O-N 3.49Å; F395-T398 WeakPolarHBondContact O-CB 3.49Å; F395-T398 PolarHBondContact O-N 2.91Å; F395-L399 HydrophobicContact CD1-CD1 4.07Å; F395-L399 HydrophobicContact CE1-CD1 3.5Å; F395-L399 HydrophobicContact CE1-CG 4.3Å; F395-L399 HydrophobicContact CE2-CD1 4.36Å; F395-L399 HydrophobicContact CE2-CG 4.34Å; F395-L399 HydrophobicContact CZ-CD1 3.68Å; F395-L399 HydrophobicContact CZ-CD2 4.34Å; F395-L399 HydrophobicContact CZ-CG 4.12Å; F395-L399 WeakPolarHBondContact O-CG 3.44Å; F395-L399 PolarHBondContact O-N 3.23Å; F395-L449 HydrophobicContact CD2-CD2 3.85Å; F395-L449 HydrophobicContact CE2-CD2 3.58Å; F395-M452 HydrophobicContact CB-CG 4.27Å; F395-M452 HydrophobicContact CD2-CB 4.25Å; F395-L456 HydrophobicContact CB-CD1 3.65Å; F395-L456 HydrophobicContact CD1-CD1 4.31Å; F395-L456 HydrophobicContact CD2-CD1 4.26Å; F395-L456 HydrophobicContact CG-CD1 3.83Å; F395-V516 HydrophobicContact CE1-CG2 4.43Å |
| 396 | L | 97.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 29.9 Ų | 29.9 | 13% | 0.131 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.5 | -72.7 | 175.7 | 0 | 0 | 0 | 112.6 | L392 A393 I394 T398 L399 L400 F513 V516 V517 | L392-L396 HydrophobicContact CG-CD1 4.4Å; L392-L396 WeakPolarHBondContact O-CG 3.02Å; L392-L396 PolarHBondContact O-N 2.95Å; A393-L396 PolarHBondContact O-N 3.02Å; I394-L396 VanDerWaalsContact C-N 3.31Å; I394-L396 PolarHBondContact O-N 2.81Å; L396-T398 VanDerWaalsContact C-N 3.31Å; L396-T398 PolarHBondContact O-N 2.68Å; L396-L399 PolarHBondContact O-N 2.61Å; L396-L400 PolarHBondContact O-N 2.8Å; L396-L400 VanDerWaalsContact O-N 3.14Å; L396-F513 HydrophobicContact CB-CD2 3.97Å; L396-F513 HydrophobicContact CB-CE2 3.93Å; L396-F513 HydrophobicContact CD2-CD2 3.65Å; L396-F513 HydrophobicContact CD2-CE2 4.08Å; L396-F513 HydrophobicContact CD2-CG 4.47Å; L396-F513 HydrophobicContact CG-CD2 4.39Å; L396-F513 HydrophobicContact CG-CE2 4.48Å; L396-F513 WeakPolarHBondContact O-CD2 3.47Å; L396-V516 HydrophobicContact CD2-CB 3.82Å; L396-V516 HydrophobicContact CD2-CG1 3.74Å; L396-V516 HydrophobicContact CG-CG1 4.41Å; L396-V517 HydrophobicContact CD1-CG2 4.16Å; L396-V517 HydrophobicContact CD2-CG2 4.03Å |
| 397 | I | 97.5 | Very high | 95.7 | Very high | 109 Ų | 109 | 32.6 Ų | 32.6 | 56% | 0.559 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -62.2 | -41.7 | 174.9 | -68.3 | 164.9 | 0 | 0 | 0 | 110.2 | A393 I394 L399 L400 L401 | A393-I397 VanDerWaalsContact O-CG1 3.3Å; A393-I397 WeakPolarHBondContact O-CG1 3.33Å; A393-I397 PolarHBondContact O-N 2.94Å; I394-I397 PolarHBondContact O-N 3.32Å; I394-I397 VanDerWaalsContact O-N 3.16Å; I397-L399 PolarHBondContact O-N 2.96Å; I397-L400 PolarHBondContact O-N 2.67Å; I397-L401 WeakPolarHBondContact O-CB 3.5Å; I397-L401 PolarHBondContact O-N 3.46Å |
| 398 | T | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 177.3 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | Y341 I394 F395 L396 L401 N402 S445 L449 | Y341-T398 HydrophobicContact CE1-CG2 4.48Å; Y341-T398 WeakPolarHBondContact CE1-OG1 3.37Å; Y341-T398 PolarHBondContact OH-OG1 3.43Å; I394-T398 PolarHBondContact O-N 3.08Å; I394-T398 PolarHBondContact O-OG1 3.48Å; F395-T398 WeakPolarHBondContact O-CB 3.49Å; F395-T398 PolarHBondContact O-N 2.91Å; L396-T398 VanDerWaalsContact C-N 3.31Å; L396-T398 PolarHBondContact O-N 2.68Å; T398-L401 PolarHBondContact O-N 3.36Å; T398-N402 WeakPolarHBondContact O-CB 3.41Å; T398-N402 PolarHBondContact O-N 3.03Å; T398-S445 WeakPolarHBondContact CG2-O 3.5Å; T398-L449 HydrophobicContact CG2-CD2 4Å; T398-L449 HydrophobicContact CG2-CG 3.84Å |
| 399 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 175.8 | -74.7 | 174 | 0 | 0 | 0 | 112.3 | A287 F395 L396 I397 N402 S403 L449 A512 F513 | A287-L399 HydrophobicContact CB-CD2 3.52Å; F395-L399 HydrophobicContact CD1-CD1 4.07Å; F395-L399 HydrophobicContact CE1-CD1 3.5Å; F395-L399 HydrophobicContact CE1-CG 4.3Å; F395-L399 HydrophobicContact CE2-CD1 4.36Å; F395-L399 HydrophobicContact CE2-CG 4.34Å; F395-L399 HydrophobicContact CZ-CD1 3.68Å; F395-L399 HydrophobicContact CZ-CD2 4.34Å; F395-L399 HydrophobicContact CZ-CG 4.12Å; F395-L399 WeakPolarHBondContact O-CG 3.44Å; F395-L399 PolarHBondContact O-N 3.23Å; L396-L399 PolarHBondContact O-N 2.61Å; I397-L399 PolarHBondContact O-N 2.96Å; L399-N402 PolarHBondContact O-N 3.05Å; L399-S403 WeakPolarHBondContact O-CB 3.32Å; L399-S403 PolarHBondContact O-N 3.4Å; L399-L449 HydrophobicContact CD2-CD2 3.94Å; L399-L449 HydrophobicContact CG-CD2 4.31Å; L399-A512 HydrophobicContact CD1-CB 4.24Å; L399-A512 HydrophobicContact CD2-CB 4.28Å; L399-F513 HydrophobicContact CB-CB 4.01Å; L399-F513 HydrophobicContact CD1-CB 4.21Å |
| 400 | L | 98.1 | Very high | 96.8 | Very high | 69 Ų | 69 | 27.6 Ų | 27.6 | 36% | 0.361 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.8 | -74.1 | 176 | 0 | 0 | 0 | 111.8 | L396 I397 N402 S403 A404 L510 F513 | L396-L400 PolarHBondContact O-N 2.8Å; L396-L400 VanDerWaalsContact O-N 3.14Å; I397-L400 PolarHBondContact O-N 2.67Å; L400-N402 VanDerWaalsContact C-N 3.34Å; L400-N402 PolarHBondContact O-N 2.89Å; L400-S403 PolarHBondContact O-N 3.32Å; L400-A404 WeakPolarHBondContact O-CB 3.38Å; L400-A404 PolarHBondContact O-N 2.94Å; L400-L510 HydrophobicContact CD2-CD1 4Å; L400-F513 HydrophobicContact CD1-CD2 4.06Å; L400-F513 HydrophobicContact CD1-CE1 4.35Å; L400-F513 HydrophobicContact CD1-CE2 3.48Å; L400-F513 VanDerWaalsContact CD1-CE2 3.48Å; L400-F513 HydrophobicContact CD1-CZ 3.65Å; L400-F513 HydrophobicContact CD2-CD1 3.75Å; L400-F513 HydrophobicContact CD2-CD2 3.98Å; L400-F513 HydrophobicContact CD2-CE1 3.84Å; L400-F513 HydrophobicContact CD2-CE2 4.05Å; L400-F513 HydrophobicContact CD2-CG 3.83Å; L400-F513 HydrophobicContact CD2-CZ 3.99Å; L400-F513 HydrophobicContact CG-CD1 4.3Å; L400-F513 HydrophobicContact CG-CD2 3.6Å; L400-F513 HydrophobicContact CG-CE1 4.3Å; L400-F513 HydrophobicContact CG-CE2 3.58Å; L400-F513 HydrophobicContact CG-CG 3.98Å; L400-F513 HydrophobicContact CG-CZ 3.96Å |
| 401 | L | 98 | Very high | 97 | Very high | 50 Ų | 50 | 29.5 Ų | 29.5 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 176 | -179.6 | 65 | 0 | 0 | 0 | 110.9 | I397 T398 S403 A404 C405 F441 | I397-L401 WeakPolarHBondContact O-CB 3.5Å; I397-L401 PolarHBondContact O-N 3.46Å; T398-L401 PolarHBondContact O-N 3.36Å; L401-S403 PolarHBondContact O-N 3.11Å; L401-A404 PolarHBondContact O-N 3.32Å; L401-C405 WeakPolarHBondContact O-CB 3.48Å; L401-C405 PolarHBondContact O-N 3.35Å; L401-C405 PolarHBondContact O-SG 3.31Å; L401-F441 HydrophobicContact CD1-CD1 4.38Å |
| 402 | N | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 177.8 | -176.3 | -96.5 | 0 | 0 | 0 | 111.8 | T398 L399 L400 T406 S445 N446 S509 | T398-N402 WeakPolarHBondContact O-CB 3.41Å; T398-N402 PolarHBondContact O-N 3.03Å; L399-N402 PolarHBondContact O-N 3.05Å; L400-N402 VanDerWaalsContact C-N 3.34Å; L400-N402 PolarHBondContact O-N 2.89Å; N402-T406 WeakPolarHBondContact O-CB 3.27Å; N402-T406 PolarHBondContact O-N 3.11Å; N402-T406 PolarHBondContact O-OG1 3.31Å; N402-S445 WeakPolarHBondContact CA-OG 3.42Å; N402-S445 WeakPolarHBondContact CB-OG 3.29Å; N402-S445 PolarHBondContact ND2-OG 3.5Å; N402-N446 PolarHBondContact ND2-OD1 2.69Å; N402-S509 WeakPolarHBondContact OD1-CB 3.42Å; N402-S509 PolarHBondContact OD1-OG 3.34Å |
| 403 | S | 98.4 | Very high | 97 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 8% | 0.077 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | L399 L400 L401 T406 L407 A506 | L399-S403 WeakPolarHBondContact O-CB 3.32Å; L399-S403 PolarHBondContact O-N 3.4Å; L400-S403 PolarHBondContact O-N 3.32Å; L401-S403 PolarHBondContact O-N 3.11Å; S403-T406 PolarHBondContact O-N 3.36Å; S403-L407 VanDerWaalsContact O-CB 3.26Å; S403-L407 WeakPolarHBondContact O-CB 3.42Å; S403-L407 PolarHBondContact O-N 3.05Å; S403-A506 WeakPolarHBondContact CB-O 3.38Å; S403-A506 PolarHBondContact OG-O 3.4Å |
| 404 | A | 98.2 | Very high | 96.8 | Very high | 51 Ų | 51 | 29.5 Ų | 29.5 | 42% | 0.421 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.3 | -47.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L400 L401 L407 T408 | L400-A404 WeakPolarHBondContact O-CB 3.38Å; L400-A404 PolarHBondContact O-N 2.94Å; L401-A404 PolarHBondContact O-N 3.32Å; A404-L407 PolarHBondContact O-N 3.41Å; A404-T408 PolarHBondContact O-N 3.14Å; A404-T408 PolarHBondContact O-OG1 3.37Å; A404-T408 VanDerWaalsContact O-OG1 3.04Å |
| 405 | C | 97.9 | Very high | 96.4 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 10% | 0.101 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.1 | -36.7 | -179.4 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | L401 T408 L409 F441 V442 | L401-C405 WeakPolarHBondContact O-CB 3.48Å; L401-C405 PolarHBondContact O-N 3.35Å; L401-C405 PolarHBondContact O-SG 3.31Å; C405-T408 WeakPolarHBondContact O-CB 3.38Å; C405-T408 PolarHBondContact O-N 2.98Å; C405-L409 PolarHBondContact O-N 3.4Å; C405-L409 VanDerWaalsContact O-N 3.12Å; C405-F441 HydrophobicContact CB-CB 4.23Å; C405-F441 WeakPolarHBondContact SG-CB 3.49Å; C405-V442 HydrophobicContact CB-CG2 3.64Å |
| 406 | T | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | P294 N402 S403 T408 L409 A410 A505 A506 | P294-T406 HydrophobicContact CG-CG2 3.54Å; N402-T406 WeakPolarHBondContact O-CB 3.27Å; N402-T406 PolarHBondContact O-N 3.11Å; N402-T406 PolarHBondContact O-OG1 3.31Å; S403-T406 PolarHBondContact O-N 3.36Å; T406-T408 VanDerWaalsContact C-N 3.33Å; T406-L409 WeakPolarHBondContact O-CB 3.18Å; T406-L409 PolarHBondContact O-N 3.34Å; T406-A410 PolarHBondContact O-N 3.21Å; T406-A410 VanDerWaalsContact O-N 3.17Å; T406-A505 HydrophobicContact CG2-CB 3.75Å; T406-A506 HydrophobicContact CG2-CB 4.01Å |
| 407 | L | 97.8 | Very high | 95.6 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 36% | 0.361 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.3 | -175.5 | 60.8 | 0 | 0 | 0 | 110.9 | S403 A404 L409 A410 L411 L503 A506 | S403-L407 VanDerWaalsContact O-CB 3.26Å; S403-L407 WeakPolarHBondContact O-CB 3.42Å; S403-L407 PolarHBondContact O-N 3.05Å; A404-L407 PolarHBondContact O-N 3.41Å; L407-L409 VanDerWaalsContact C-N 3.33Å; L407-L409 PolarHBondContact O-N 2.57Å; L407-A410 WeakPolarHBondContact O-CB 3.3Å; L407-A410 PolarHBondContact O-N 3.19Å; L407-A410 VanDerWaalsContact O-N 3.12Å; L407-L411 HydrophobicContact CD1-CD1 3.76Å; L407-L411 HydrophobicContact CD1-CG 4.05Å; L407-L411 HydrophobicContact CD2-CD1 4.37Å; L407-L411 HydrophobicContact CG-CD1 3.76Å; L407-L411 HydrophobicContact CG-CG 4.32Å; L407-L411 WeakPolarHBondContact O-CB 3.2Å; L407-L411 WeakPolarHBondContact O-CG 3.25Å; L407-L411 PolarHBondContact O-N 3.11Å; L407-L503 HydrophobicContact CD1-CD2 3.7Å; L407-A506 HydrophobicContact CB-CB 3.81Å; L407-A506 HydrophobicContact CD1-CB 4.28Å |
| 408 | T | 97.2 | Very high | 95 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.7 | -47.1 | 174 | -59.3 | 0 | 0 | 0 | 0 | 111 | A404 C405 T406 A410 L411 V412 L434 A438 | A404-T408 PolarHBondContact O-N 3.14Å; A404-T408 PolarHBondContact O-OG1 3.37Å; A404-T408 VanDerWaalsContact O-OG1 3.04Å; C405-T408 WeakPolarHBondContact O-CB 3.38Å; C405-T408 PolarHBondContact O-N 2.98Å; T406-T408 VanDerWaalsContact C-N 3.33Å; T408-A410 PolarHBondContact O-N 2.92Å; T408-L411 PolarHBondContact O-N 2.72Å; T408-L411 VanDerWaalsContact O-N 3.1Å; T408-V412 HydrophobicContact CG2-CG2 4.3Å; T408-V412 WeakPolarHBondContact O-CG2 3.42Å; T408-V412 PolarHBondContact O-N 3.26Å; T408-L434 HydrophobicContact CG2-CD1 3.99Å; T408-L434 HydrophobicContact CG2-CD2 4.25Å; T408-L434 HydrophobicContact CG2-CG 3.99Å; T408-A438 HydrophobicContact CG2-CB 3.97Å |
| 409 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.6 | -39.2 | 176.4 | -69 | 177.8 | 0 | 0 | 0 | 112.5 | P294 V298 C405 T406 L407 L411 L435 A438 V442 L502 | P294-L409 HydrophobicContact CB-CD1 4.04Å; V298-L409 HydrophobicContact CG2-CD1 4.49Å; V298-L409 HydrophobicContact CG2-CD2 4.47Å; C405-L409 PolarHBondContact O-N 3.4Å; C405-L409 VanDerWaalsContact O-N 3.12Å; T406-L409 WeakPolarHBondContact O-CB 3.18Å; T406-L409 PolarHBondContact O-N 3.34Å; L407-L409 VanDerWaalsContact C-N 3.33Å; L407-L409 PolarHBondContact O-N 2.57Å; L409-L411 VanDerWaalsContact C-N 3.33Å; L409-L435 HydrophobicContact CD2-CD2 3.72Å; L409-A438 HydrophobicContact CD2-CB 3.52Å; L409-A438 HydrophobicContact CG-CB 3.88Å; L409-V442 HydrophobicContact CD1-CG2 3.87Å; L409-L502 HydrophobicContact CB-CD1 4.44Å |
| 410 | A | 95.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.5 | -24.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T406 L407 T408 Q499 L502 L503 | T406-A410 PolarHBondContact O-N 3.21Å; T406-A410 VanDerWaalsContact O-N 3.17Å; L407-A410 WeakPolarHBondContact O-CB 3.3Å; L407-A410 PolarHBondContact O-N 3.19Å; L407-A410 VanDerWaalsContact O-N 3.12Å; T408-A410 PolarHBondContact O-N 2.92Å; A410-Q499 VanDerWaalsContact O-CG 3.26Å; A410-Q499 WeakPolarHBondContact O-CG 3.4Å; A410-Q499 PolarHBondContact O-NE2 3.33Å; A410-L502 HydrophobicContact CB-CB 3.58Å; A410-L503 HydrophobicContact CB-CD2 3.72Å; A410-L503 HydrophobicContact CB-CG 3.85Å |
| 411 | L | 96.2 | Very high | 93 | Very high | 95 Ų | 95 | 49.3 Ų | 49.3 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -108 | -5.9 | -172.3 | -65.4 | -177.3 | 0 | 0 | 0 | 113.9 | L407 T408 L409 P413 L503 | L407-L411 HydrophobicContact CD1-CD1 3.76Å; L407-L411 HydrophobicContact CD1-CG 4.05Å; L407-L411 HydrophobicContact CD2-CD1 4.37Å; L407-L411 HydrophobicContact CG-CD1 3.76Å; L407-L411 HydrophobicContact CG-CG 4.32Å; L407-L411 WeakPolarHBondContact O-CB 3.2Å; L407-L411 WeakPolarHBondContact O-CG 3.25Å; L407-L411 PolarHBondContact O-N 3.11Å; T408-L411 PolarHBondContact O-N 2.72Å; T408-L411 VanDerWaalsContact O-N 3.1Å; L409-L411 VanDerWaalsContact C-N 3.33Å; L411-P413 WeakPolarHBondContact O-CD 3.44Å; L411-P413 VanDerWaalsContact O-N 3.15Å; L411-L503 HydrophobicContact CD2-CD2 4.04Å; L411-L503 HydrophobicContact CG-CD2 4.44Å |
| 412 | V | 95.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | trans | -56.9 | 122.3 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | T408 L414 E431 L434 L435 | T408-V412 HydrophobicContact CG2-CG2 4.3Å; T408-V412 WeakPolarHBondContact O-CG2 3.42Å; T408-V412 PolarHBondContact O-N 3.26Å; V412-L414 HydrophobicContact CG1-CG 4.4Å; V412-L414 PolarHBondContact O-N 3.17Å; V412-E431 HydrophobicContact CG1-CB 3.77Å; V412-E431 HydrophobicContact CG1-CG 4.24Å; V412-L434 HydrophobicContact CG2-CD2 3.84Å; V412-L434 HydrophobicContact CG2-CG 3.98Å; V412-L435 HydrophobicContact CB-CD2 4Å; V412-L435 HydrophobicContact CB-CG 4.16Å; V412-L435 HydrophobicContact CG1-CD1 4.35Å; V412-L435 HydrophobicContact CG1-CD2 4.41Å; V412-L435 HydrophobicContact CG1-CG 4.03Å; V412-L435 HydrophobicContact CG2-CD2 3.73Å; V412-L435 HydrophobicContact CG2-CG 3.95Å | ||
| 413 | P | 93.3 | Very high | 91.8 | Very high | 48 Ų | 48 | 60 Ų | 60 | 31% | 0.312 | 31% | 0.311 | S | S | . | . | trans | -78.6 | 66.2 | -174.7 | 33.5 | -36.8 | 0 | 0 | 0 | 110.8 | L411 W415 S416 | L411-P413 WeakPolarHBondContact O-CD 3.44Å; L411-P413 VanDerWaalsContact O-N 3.15Å; P413-W415 HydrophobicContact CB-CD2 4.32Å; P413-W415 HydrophobicContact CB-CH2 4.23Å; P413-W415 HydrophobicContact CB-CZ2 3.65Å; P413-W415 PolarHBondContact O-N 3.03Å; P413-S416 PolarHBondContact O-N 3.15Å; P413-S416 PolarHBondContact O-OG 2.87Å | ||
| 414 | L | 90.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -55.9 | -28.3 | 179.2 | -81.8 | 172.1 | 0 | 0 | 0 | 113 | V302 T305 L309 V412 S416 V417 L426 E431 L435 | V302-L414 HydrophobicContact CB-CD1 4.34Å; V302-L414 HydrophobicContact CG1-CD1 4.27Å; V302-L414 HydrophobicContact CG2-CD1 3.98Å; T305-L414 HydrophobicContact CG2-CB 3.75Å; T305-L414 HydrophobicContact CG2-CD1 4.42Å; L309-L414 VanDerWaalsContact CD1-O 3.3Å; L309-L414 WeakPolarHBondContact CD1-O 3.26Å; V412-L414 HydrophobicContact CG1-CG 4.4Å; V412-L414 PolarHBondContact O-N 3.17Å; L414-S416 PolarHBondContact O-N 3.36Å; L414-V417 WeakPolarHBondContact O-CB 3.35Å; L414-V417 WeakPolarHBondContact O-CG2 3.46Å; L414-V417 PolarHBondContact O-N 2.69Å; L414-L426 HydrophobicContact CD2-CD1 4.28Å; L414-E431 HydrophobicContact CD2-CB 4.29Å; L414-L435 HydrophobicContact CD1-CD1 3.95Å; L414-L435 HydrophobicContact CD2-CD1 3.61Å; L414-L435 HydrophobicContact CG-CD1 3.98Å |
| 415 | W | 86.9 | Confident | 90.9 | Very high | 144 Ų | 144 | 62.1 Ų | 62.1 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -65.1 | -15.4 | 175.7 | 59.5 | 78.5 | 0 | 0 | 0 | 114.5 | P413 V417 | P413-W415 HydrophobicContact CB-CD2 4.32Å; P413-W415 HydrophobicContact CB-CH2 4.23Å; P413-W415 HydrophobicContact CB-CZ2 3.65Å; P413-W415 PolarHBondContact O-N 3.03Å; W415-V417 VanDerWaalsContact C-N 3.33Å |
| 416 | S | 88.2 | Confident | 90.6 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -84.3 | -9.1 | 175 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | P413 L414 Q418 E431 | P413-S416 PolarHBondContact O-N 3.15Å; P413-S416 PolarHBondContact O-OG 2.87Å; L414-S416 PolarHBondContact O-N 3.36Å; S416-Q418 PolarHBondContact O-N 3.34Å; S416-E431 PolarHBondContact OG-OE1 3.06Å |
| 417 | V | 89.3 | Confident | 90.4 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | trans | -70.9 | 126.6 | -177.6 | 179.6 | 0 | 0 | 0 | 0 | 110 | I315 L414 W415 F424 E431 | I315-V417 HydrophobicContact CG2-CG1 4.37Å; L414-V417 WeakPolarHBondContact O-CB 3.35Å; L414-V417 WeakPolarHBondContact O-CG2 3.46Å; L414-V417 PolarHBondContact O-N 2.69Å; W415-V417 VanDerWaalsContact C-N 3.33Å; V417-F424 HydrophobicContact CG1-CD2 4.48Å; V417-F424 HydrophobicContact CG1-CE2 3.32Å; V417-F424 HydrophobicContact CG1-CZ 3.6Å; V417-E431 HydrophobicContact CG2-CB 3.85Å; V417-E431 HydrophobicContact CG2-CG 3.69Å | ||
| 418 | Q | 86.7 | Confident | 90 | Very high | 149 Ų | 149 | 64.5 Ų | 64.5 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | trans | -129.8 | 138.5 | 173.4 | -66.9 | 176.5 | -8.4 | 0 | 0 | 108.2 | S416 H429 | S416-Q418 PolarHBondContact O-N 3.34Å; Q418-H429 PolarHBondContact O-CE1 2.83Å; Q418-H429 VanDerWaalsContact O-CE1 3.29Å | ||
| 419 | S | 85.7 | Confident | 89.7 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | trans | -141.2 | 130.8 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | S314 S421 | S314-S419 PolarHBondContact O-N 3.3Å; S419-S421 VanDerWaalsContact C-N 3.29Å; S419-S421 PolarHBondContact OG-N 2.95Å; S419-S421 PolarHBondContact OG-OG 3.02Å | ||
| 420 | E | 82.7 | Confident | 89.6 | Confident | 207 Ų | 207 | 71.6 Ų | 71.6 | 97% | 0.967 | 36% | 0.355 | S | S | * | . | trans | -83 | -8.3 | 171.7 | -62.1 | -178.3 | 175.6 | 0 | 0 | 112.2 | ||||
| 421 | S | 83.1 | Confident | 89.5 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -71.7 | 142.3 | 179.1 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | S419 H423 | S419-S421 VanDerWaalsContact C-N 3.29Å; S419-S421 PolarHBondContact OG-N 2.95Å; S419-S421 PolarHBondContact OG-OG 3.02Å; S421-H423 VanDerWaalsContact C-N 3.25Å; S421-H423 WeakPolarHBondContact CB-O 3.27Å; S421-H423 PolarHBondContact O-N 2.9Å; S421-H423 PolarHBondContact OG-O 3.5Å |
| 422 | K | 84.4 | Confident | 89.5 | Confident | 158 Ų | 158 | 68.7 Ų | 68.7 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -61.4 | -35.6 | 174.5 | -171.8 | 179.8 | 179 | -174.6 | 0 | 112.4 | G316 D317 | G316-K422 CarbonylContact C-O 3.58Å; G316-K422 WeakPolarHBondContact CA-O 3.47Å; D317-K422 PolarHBondContact N-O 3.14Å |
| 423 | H | 84.9 | Confident | 89.4 | Confident | 115 Ų | 115 | 74.5 Ų | 74.5 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.3 | 174.7 | -65.1 | -61.1 | 0 | 0 | 0 | 109.3 | S421 | S421-H423 VanDerWaalsContact C-N 3.25Å; S421-H423 WeakPolarHBondContact CB-O 3.27Å; S421-H423 PolarHBondContact O-N 2.9Å; S421-H423 PolarHBondContact OG-O 3.5Å |
| 424 | F | 89.5 | Confident | 89.6 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.009 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.7 | 178.6 | 177.2 | -99.2 | 0 | 0 | 0 | 110.6 | L306 I315 D317 N319 V417 L426 H429 | L306-F424 HydrophobicContact CD1-CD1 4.22Å; L306-F424 HydrophobicContact CD1-CE1 3.69Å; L306-F424 HydrophobicContact CD2-CD1 4.45Å; L306-F424 HydrophobicContact CD2-CE1 3.7Å; L306-F424 HydrophobicContact CD2-CZ 3.98Å; L306-F424 HydrophobicContact CG-CE1 4.34Å; I315-F424 HydrophobicContact CB-CB 4.48Å; I315-F424 HydrophobicContact CB-CD2 4.03Å; I315-F424 HydrophobicContact CB-CG 4.32Å; I315-F424 HydrophobicContact CD1-CD1 4.29Å; I315-F424 HydrophobicContact CD1-CD2 4.47Å; I315-F424 HydrophobicContact CD1-CG 4.19Å; I315-F424 HydrophobicContact CG2-CD2 3.96Å; I315-F424 HydrophobicContact CG2-CE2 4.15Å; D317-F424 PolarHBondContact O-N 3.21Å; N319-F424 PolarHBondContact N-O 3.16Å; V417-F424 HydrophobicContact CG1-CD2 4.48Å; V417-F424 HydrophobicContact CG1-CE2 3.32Å; V417-F424 HydrophobicContact CG1-CZ 3.6Å; F424-L426 HydrophobicContact CE1-CB 4.13Å; F424-L426 HydrophobicContact CE1-CD1 4.2Å; F424-L426 HydrophobicContact CZ-CD1 4.34Å; F424-H429 AromaticContact CD2-NE2 3.95Å; F424-H429 AromaticContact CE2-CD2 3.39Å; F424-H429 WeakPolarHBondContact CE2-CD2 3.26Å; F424-H429 AromaticContact CE2-NE2 3.39Å; F424-H429 WeakPolarHBondContact CE2-NE2 3.35Å; F424-H429 AromaticContact CZ-CD2 3.86Å |
| 425 | E | 89.8 | Confident | 89.9 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | trans | -109.1 | 108.6 | 177.6 | -67.4 | 179.2 | 176.3 | 0 | 0 | 110.1 | F427 S428 H429 | E425-F427 VanDerWaalsContact C-N 3.34Å; E425-F427 PolarHBondContact O-N 2.97Å; E425-S428 WeakPolarHBondContact O-CB 3.37Å; E425-S428 PolarHBondContact O-N 3.35Å; E425-S428 PolarHBondContact OE2-OG 3.11Å; E425-H429 PolarHBondContact O-CD2 3.38Å | ||
| 426 | L | 91.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -56.5 | -45.2 | -172.6 | 177.7 | 63 | 0 | 0 | 0 | 112.9 | V302 L306 D322 I323 L326 L414 F424 S428 H429 G432 | V302-L426 HydrophobicContact CG1-CD1 4.41Å; V302-L426 HydrophobicContact CG1-CD2 3.98Å; L306-L426 HydrophobicContact CD1-CD1 4.45Å; D322-L426 HydrophobicContact CB-CB 4.43Å; I323-L426 HydrophobicContact CG1-CD2 4.24Å; L326-L426 HydrophobicContact CD1-CD2 4.09Å; L414-L426 HydrophobicContact CD2-CD1 4.28Å; F424-L426 HydrophobicContact CE1-CB 4.13Å; F424-L426 HydrophobicContact CE1-CD1 4.2Å; F424-L426 HydrophobicContact CZ-CD1 4.34Å; L426-S428 PolarHBondContact O-N 3.32Å; L426-H429 PolarHBondContact O-N 3.2Å; L426-G432 WeakPolarHBondContact O-CA 3.13Å |
| 427 | F | 92.5 | Very high | 90.8 | Very high | 59 Ų | 59 | 71.7 Ų | 71.7 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -78.1 | -6.3 | -173.7 | -59.6 | -51.8 | 0 | 0 | 0 | 114.5 | D322 W325 L326 E425 H429 K433 A436 | D322-F427 HydrophobicContact CB-CD2 4.42Å; D322-F427 HydrophobicContact CB-CE2 4.32Å; D322-F427 WeakPolarHBondContact O-CE2 3.45Å; D322-F427 WeakPolarHBondContact O-CZ 3.47Å; W325-F427 HydrophobicContact CB-CE2 3.83Å; W325-F427 HydrophobicContact CB-CZ 3.84Å; W325-F427 HydrophobicContact CG-CE2 4.22Å; L326-F427 HydrophobicContact CD2-CE1 3.98Å; L326-F427 HydrophobicContact CD2-CZ 4.17Å; E425-F427 VanDerWaalsContact C-N 3.34Å; E425-F427 PolarHBondContact O-N 2.97Å; F427-H429 VanDerWaalsContact C-N 3.29Å; F427-K433 WeakPolarHBondContact O-CE 3.32Å; F427-A436 HydrophobicContact CD1-CB 4.17Å; F427-A436 HydrophobicContact CE1-CB 3.81Å |
| 428 | S | 90.1 | Very high | 91.2 | Very high | 74 Ų | 74 | 71.7 Ų | 71.7 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -73.5 | -26.7 | 171.2 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | E425 L426 | E425-S428 WeakPolarHBondContact O-CB 3.37Å; E425-S428 PolarHBondContact O-N 3.35Å; E425-S428 PolarHBondContact OE2-OG 3.11Å; L426-S428 PolarHBondContact O-N 3.32Å |
| 429 | H | 91.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 64.6 Ų | 64.6 | 19% | 0.185 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -88.5 | 155.3 | 177.7 | -65.2 | -88.5 | 0 | 0 | 0 | 113.4 | Q418 F424 E425 L426 F427 E431 G432 K433 | Q418-H429 PolarHBondContact O-CE1 2.83Å; Q418-H429 VanDerWaalsContact O-CE1 3.29Å; F424-H429 AromaticContact CD2-NE2 3.95Å; F424-H429 AromaticContact CE2-CD2 3.39Å; F424-H429 WeakPolarHBondContact CE2-CD2 3.26Å; F424-H429 AromaticContact CE2-NE2 3.39Å; F424-H429 WeakPolarHBondContact CE2-NE2 3.35Å; F424-H429 AromaticContact CZ-CD2 3.86Å; E425-H429 PolarHBondContact O-CD2 3.38Å; L426-H429 PolarHBondContact O-N 3.2Å; F427-H429 VanDerWaalsContact C-N 3.29Å; H429-E431 VanDerWaalsContact C-N 3.31Å; H429-E431 PolarHBondContact O-N 3.4Å; H429-G432 PolarHBondContact O-N 3.11Å; H429-K433 WeakPolarHBondContact O-CG 3.39Å; H429-K433 PolarHBondContact O-N 3.48Å |
| 430 | Q | 94.4 | Very high | 92.2 | Very high | 163 Ų | 163 | 65.7 Ų | 65.7 | 76% | 0.762 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.8 | -35.3 | -178.6 | -179.4 | 172.9 | -19.3 | 0 | 0 | 111.8 | K433 L434 | Q430-K433 PolarHBondContact O-N 3.33Å; Q430-L434 WeakPolarHBondContact O-CB 3.3Å; Q430-L434 PolarHBondContact O-N 2.8Å |
| 431 | E | 93.8 | Very high | 93 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 177.1 | -62 | 84.5 | 168.4 | 0 | 0 | 110.7 | V412 L414 S416 V417 H429 K433 L434 L435 | V412-E431 HydrophobicContact CG1-CB 3.77Å; V412-E431 HydrophobicContact CG1-CG 4.24Å; L414-E431 HydrophobicContact CD2-CB 4.29Å; S416-E431 PolarHBondContact OG-OE1 3.06Å; V417-E431 HydrophobicContact CG2-CB 3.85Å; V417-E431 HydrophobicContact CG2-CG 3.69Å; H429-E431 VanDerWaalsContact C-N 3.31Å; H429-E431 PolarHBondContact O-N 3.4Å; E431-K433 PolarHBondContact O-N 3.32Å; E431-L434 PolarHBondContact O-N 3.48Å; E431-L435 WeakPolarHBondContact O-CG 3.35Å; E431-L435 PolarHBondContact O-N 3.37Å |
| 432 | G | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L426 H429 L435 A436 | L426-G432 WeakPolarHBondContact O-CA 3.13Å; H429-G432 PolarHBondContact O-N 3.11Å; G432-L435 PolarHBondContact O-N 3.26Å; G432-A436 WeakPolarHBondContact O-CB 3.45Å; G432-A436 PolarHBondContact O-N 3.46Å |
| 433 | K | 95.2 | Very high | 94.3 | Very high | 126 Ų | 126 | 49.5 Ų | 49.5 | 55% | 0.548 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.3 | -66.6 | 172.8 | -170.4 | 172.9 | 0 | 111.9 | F427 H429 Q430 E431 A436 L437 | F427-K433 WeakPolarHBondContact O-CE 3.32Å; H429-K433 WeakPolarHBondContact O-CG 3.39Å; H429-K433 PolarHBondContact O-N 3.48Å; Q430-K433 PolarHBondContact O-N 3.33Å; E431-K433 PolarHBondContact O-N 3.32Å; K433-A436 PolarHBondContact O-N 3.42Å; K433-L437 PolarHBondContact O-N 3.23Å |
| 434 | L | 96.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 39% | 0.387 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.5 | -176.7 | 61 | 0 | 0 | 0 | 111.5 | T408 V412 Q430 E431 L437 A438 | T408-L434 HydrophobicContact CG2-CD1 3.99Å; T408-L434 HydrophobicContact CG2-CD2 4.25Å; T408-L434 HydrophobicContact CG2-CG 3.99Å; V412-L434 HydrophobicContact CG2-CD2 3.84Å; V412-L434 HydrophobicContact CG2-CG 3.98Å; Q430-L434 WeakPolarHBondContact O-CB 3.3Å; Q430-L434 PolarHBondContact O-N 2.8Å; E431-L434 PolarHBondContact O-N 3.48Å; L434-L437 PolarHBondContact O-N 3.28Å; L434-A438 VanDerWaalsContact O-CB 3.3Å; L434-A438 WeakPolarHBondContact O-CB 3.46Å; L434-A438 PolarHBondContact O-N 3.28Å |
| 435 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 173.2 | -75.5 | 166.1 | 0 | 0 | 0 | 111.9 | V302 L326 L409 V412 L414 E431 G432 L437 A438 C439 | V302-L435 HydrophobicContact CG2-CD1 3.98Å; L326-L435 HydrophobicContact CD2-CB 4.12Å; L409-L435 HydrophobicContact CD2-CD2 3.72Å; V412-L435 HydrophobicContact CB-CD2 4Å; V412-L435 HydrophobicContact CB-CG 4.16Å; V412-L435 HydrophobicContact CG1-CD1 4.35Å; V412-L435 HydrophobicContact CG1-CD2 4.41Å; V412-L435 HydrophobicContact CG1-CG 4.03Å; V412-L435 HydrophobicContact CG2-CD2 3.73Å; V412-L435 HydrophobicContact CG2-CG 3.95Å; L414-L435 HydrophobicContact CD1-CD1 3.95Å; L414-L435 HydrophobicContact CD2-CD1 3.61Å; L414-L435 HydrophobicContact CG-CD1 3.98Å; E431-L435 WeakPolarHBondContact O-CG 3.35Å; E431-L435 PolarHBondContact O-N 3.37Å; G432-L435 PolarHBondContact O-N 3.26Å; L435-L437 PolarHBondContact O-N 3.37Å; L435-A438 PolarHBondContact O-N 3.13Å; L435-C439 WeakPolarHBondContact O-CB 3.26Å; L435-C439 PolarHBondContact O-N 3.12Å; L435-C439 PolarHBondContact O-SG 3.19Å |
| 436 | A | 96 | Very high | 95.6 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L329 F427 G432 K433 C439 F440 | L329-A436 HydrophobicContact CD1-CB 3.61Å; F427-A436 HydrophobicContact CD1-CB 4.17Å; F427-A436 HydrophobicContact CE1-CB 3.81Å; G432-A436 WeakPolarHBondContact O-CB 3.45Å; G432-A436 PolarHBondContact O-N 3.46Å; K433-A436 PolarHBondContact O-N 3.42Å; A436-C439 PolarHBondContact O-N 3.12Å; A436-F440 PolarHBondContact O-N 2.93Å |
| 437 | L | 97.6 | Very high | 95.9 | Very high | 99 Ų | 99 | 39.6 Ų | 39.6 | 52% | 0.518 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.1 | -47 | 177.4 | -171.2 | 152.3 | 0 | 0 | 0 | 110.9 | K433 L434 L435 C439 F440 F441 | K433-L437 PolarHBondContact O-N 3.23Å; L434-L437 PolarHBondContact O-N 3.28Å; L435-L437 PolarHBondContact O-N 3.37Å; L437-C439 VanDerWaalsContact C-N 3.35Å; L437-C439 PolarHBondContact O-N 3.35Å; L437-F440 PolarHBondContact O-N 3.35Å; L437-F441 HydrophobicContact CD2-CD2 3.51Å; L437-F441 HydrophobicContact CD2-CE2 3.69Å; L437-F441 HydrophobicContact CG-CD2 3.98Å; L437-F441 HydrophobicContact CG-CE2 3.96Å; L437-F441 WeakPolarHBondContact O-CD2 3.22Å; L437-F441 PolarHBondContact O-N 3.44Å |
| 438 | A | 97.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | T408 L409 L434 L435 F441 V442 | T408-A438 HydrophobicContact CG2-CB 3.97Å; L409-A438 HydrophobicContact CD2-CB 3.52Å; L409-A438 HydrophobicContact CG-CB 3.88Å; L434-A438 VanDerWaalsContact O-CB 3.3Å; L434-A438 WeakPolarHBondContact O-CB 3.46Å; L434-A438 PolarHBondContact O-N 3.28Å; L435-A438 PolarHBondContact O-N 3.13Å; A438-F441 PolarHBondContact O-N 3.34Å; A438-V442 WeakPolarHBondContact O-CB 3.46Å; A438-V442 VanDerWaalsContact O-CG2 3.32Å; A438-V442 WeakPolarHBondContact O-CG2 3.47Å; A438-V442 PolarHBondContact O-N 2.98Å |
| 439 | C | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.1 | -47.4 | 174.1 | -72.8 | 0 | 0 | 0 | 0 | 111.7 | L329 I330 L435 A436 L437 F441 V442 G443 | L329-C439 HydrophobicContact CB-CB 4.03Å; I330-C439 WeakPolarHBondContact CA-O 3.26Å; I330-C439 HydrophobicContact CG1-CB 3.69Å; I330-C439 WeakPolarHBondContact CG1-O 3.25Å; L435-C439 WeakPolarHBondContact O-CB 3.26Å; L435-C439 PolarHBondContact O-N 3.12Å; L435-C439 PolarHBondContact O-SG 3.19Å; A436-C439 PolarHBondContact O-N 3.12Å; L437-C439 VanDerWaalsContact C-N 3.35Å; L437-C439 PolarHBondContact O-N 3.35Å; C439-F441 PolarHBondContact O-N 3.01Å; C439-V442 PolarHBondContact O-N 3.26Å; C439-G443 PolarHBondContact O-N 3.37Å |
| 440 | F | 97.3 | Very high | 96.5 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 21% | 0.211 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.5 | 179.3 | -108.9 | 0 | 0 | 0 | 112.1 | F332 G333 F336 A436 L437 G443 I444 | F332-F440 AromaticContact CD1-CD2 3.88Å; F332-F440 HydrophobicContact CD1-CD2 3.88Å; F332-F440 AromaticContact CD1-CE2 3.53Å; F332-F440 HydrophobicContact CD1-CE2 3.53Å; F332-F440 AromaticContact CE1-CE2 3.88Å; F332-F440 HydrophobicContact CE1-CE2 3.88Å; F332-F440 HydrophobicContact CG-CE2 4.48Å; G333-F440 WeakPolarHBondContact CA-O 3.43Å; F336-F440 HydrophobicContact CB-CE2 4.45Å; F336-F440 HydrophobicContact CB-CZ 4.34Å; F336-F440 HydrophobicContact CG-CZ 4.36Å; A436-F440 PolarHBondContact O-N 2.93Å; L437-F440 PolarHBondContact O-N 3.35Å; F440-G443 WeakPolarHBondContact O-CA 3.33Å; F440-G443 PolarHBondContact O-N 3.12Å; F440-I444 HydrophobicContact CD1-CD1 3.94Å; F440-I444 HydrophobicContact CE1-CD1 3.4Å; F440-I444 VanDerWaalsContact CE1-CD1 3.4Å; F440-I444 HydrophobicContact CE1-CG1 4.28Å; F440-I444 HydrophobicContact CZ-CD1 3.76Å; F440-I444 HydrophobicContact CZ-CG1 4.31Å; F440-I444 PolarHBondContact O-N 2.83Å |
| 441 | F | 98.2 | Very high | 96.6 | Very high | 76 Ų | 76 | 25.8 Ų | 25.8 | 33% | 0.333 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -73.5 | -32 | 178.7 | -82.3 | -85.8 | 0 | 0 | 0 | 114 | L401 C405 L437 A438 C439 G443 I444 S445 | L401-F441 HydrophobicContact CD1-CD1 4.38Å; C405-F441 HydrophobicContact CB-CB 4.23Å; C405-F441 WeakPolarHBondContact SG-CB 3.49Å; L437-F441 HydrophobicContact CD2-CD2 3.51Å; L437-F441 HydrophobicContact CD2-CE2 3.69Å; L437-F441 HydrophobicContact CG-CD2 3.98Å; L437-F441 HydrophobicContact CG-CE2 3.96Å; L437-F441 WeakPolarHBondContact O-CD2 3.22Å; L437-F441 PolarHBondContact O-N 3.44Å; A438-F441 PolarHBondContact O-N 3.34Å; C439-F441 PolarHBondContact O-N 3.01Å; F441-G443 PolarHBondContact O-N 2.94Å; F441-I444 HydrophobicContact CD1-CD1 4.23Å; F441-I444 HydrophobicContact CE1-CD1 4.37Å; F441-I444 PolarHBondContact O-N 3.03Å; F441-S445 WeakPolarHBondContact O-CB 3.41Å; F441-S445 PolarHBondContact O-N 3.1Å; F441-S445 PolarHBondContact O-OG 2.85Å |
| 442 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.6 | -46.3 | 166.3 | 166.9 | 0 | 0 | 0 | 0 | 109 | P294 I330 C405 L409 A438 C439 I444 S445 N446 | P294-V442 HydrophobicContact CB-CG1 4.34Å; I330-V442 HydrophobicContact CG2-CG1 4.15Å; C405-V442 HydrophobicContact CB-CG2 3.64Å; L409-V442 HydrophobicContact CD1-CG2 3.87Å; A438-V442 WeakPolarHBondContact O-CB 3.46Å; A438-V442 VanDerWaalsContact O-CG2 3.32Å; A438-V442 WeakPolarHBondContact O-CG2 3.47Å; A438-V442 PolarHBondContact O-N 2.98Å; C439-V442 PolarHBondContact O-N 3.26Å; V442-I444 PolarHBondContact O-N 3.38Å; V442-S445 PolarHBondContact O-N 3.11Å; V442-S445 PolarHBondContact O-OG 2.85Å; V442-N446 PolarHBondContact O-N 3.36Å; V442-N446 PolarHBondContact O-OD1 2.99Å |
| 443 | G | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -53.9 | -53 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | I330 G333 L334 C439 F440 F441 S445 N446 G447 | I330-G443 WeakPolarHBondContact O-CA 3.49Å; G333-G443 CarbonylContact C-O 3.12Å; G333-G443 CarbonylContact O-C 3.56Å; L334-G443 VanDerWaalsContact CA-O 3.25Å; L334-G443 WeakPolarHBondContact CA-O 3.36Å; L334-G443 VanDerWaalsContact N-C 3.3Å; L334-G443 PolarHBondContact N-O 3.28Å; C439-G443 PolarHBondContact O-N 3.37Å; F440-G443 WeakPolarHBondContact O-CA 3.33Å; F440-G443 PolarHBondContact O-N 3.12Å; F441-G443 PolarHBondContact O-N 2.94Å; G443-S445 VanDerWaalsContact C-N 3.29Å; G443-S445 PolarHBondContact O-N 3.33Å; G443-N446 WeakPolarHBondContact O-CB 3.31Å; G443-N446 PolarHBondContact O-N 2.87Å; G443-N446 VanDerWaalsContact O-N 3.17Å; G443-G447 PolarHBondContact O-N 2.61Å |
| 444 | I | 98.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 18.5 Ų | 18.5 | 7% | 0.067 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.9 | -46 | 178.8 | -71 | 177 | 0 | 0 | 0 | 111.3 | G333 F336 Y341 F440 F441 V442 G447 G448 | G333-I444 VanDerWaalsContact C-N 3.34Å; G333-I444 VanDerWaalsContact O-CA 3.27Å; G333-I444 WeakPolarHBondContact O-CA 3.3Å; G333-I444 WeakPolarHBondContact O-CG1 3.36Å; G333-I444 PolarHBondContact O-N 2.95Å; F336-I444 HydrophobicContact CB-CG1 4.48Å; F336-I444 HydrophobicContact CD1-CD1 3.78Å; F336-I444 HydrophobicContact CD1-CG1 4.03Å; F336-I444 HydrophobicContact CE1-CD1 4.33Å; Y341-I444 HydrophobicContact CE2-CG2 4.13Å; F440-I444 HydrophobicContact CD1-CD1 3.94Å; F440-I444 HydrophobicContact CE1-CD1 3.4Å; F440-I444 VanDerWaalsContact CE1-CD1 3.4Å; F440-I444 HydrophobicContact CE1-CG1 4.28Å; F440-I444 HydrophobicContact CZ-CD1 3.76Å; F440-I444 HydrophobicContact CZ-CG1 4.31Å; F440-I444 PolarHBondContact O-N 2.83Å; F441-I444 HydrophobicContact CD1-CD1 4.23Å; F441-I444 HydrophobicContact CE1-CD1 4.37Å; F441-I444 PolarHBondContact O-N 3.03Å; V442-I444 PolarHBondContact O-N 3.38Å; I444-G447 PolarHBondContact O-N 3.46Å; I444-G448 PolarHBondContact O-N 3.05Å |
| 445 | S | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | -180 | 73 | 0 | 0 | 0 | 0 | 111.9 | T398 N402 F441 V442 G443 G447 G448 L449 | T398-S445 WeakPolarHBondContact CG2-O 3.5Å; N402-S445 WeakPolarHBondContact CA-OG 3.42Å; N402-S445 WeakPolarHBondContact CB-OG 3.29Å; N402-S445 PolarHBondContact ND2-OG 3.5Å; F441-S445 WeakPolarHBondContact O-CB 3.41Å; F441-S445 PolarHBondContact O-N 3.1Å; F441-S445 PolarHBondContact O-OG 2.85Å; V442-S445 PolarHBondContact O-N 3.11Å; V442-S445 PolarHBondContact O-OG 2.85Å; G443-S445 VanDerWaalsContact C-N 3.29Å; G443-S445 PolarHBondContact O-N 3.33Å; S445-G447 VanDerWaalsContact C-N 3.3Å; S445-G447 PolarHBondContact O-N 2.98Å; S445-G448 PolarHBondContact O-N 3.44Å; S445-L449 WeakPolarHBondContact O-CG 3.33Å; S445-L449 PolarHBondContact O-N 2.83Å |
| 446 | N | 96.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.3 | -67.7 | -4.9 | 0 | 0 | 0 | 110.8 | V291 L334 N402 V442 G443 G448 L449 Y450 | V291-N446 HydrophobicContact CG1-CB 4.41Å; V291-N446 VanDerWaalsContact CG1-CG 3.49Å; V291-N446 VanDerWaalsContact CG1-OD1 3.31Å; V291-N446 WeakPolarHBondContact CG1-OD1 3.19Å; L334-N446 HydrophobicContact CD1-CB 3.93Å; N402-N446 PolarHBondContact ND2-OD1 2.69Å; V442-N446 PolarHBondContact O-N 3.36Å; V442-N446 PolarHBondContact O-OD1 2.99Å; G443-N446 WeakPolarHBondContact O-CB 3.31Å; G443-N446 PolarHBondContact O-N 2.87Å; G443-N446 VanDerWaalsContact O-N 3.17Å; N446-G448 VanDerWaalsContact C-N 3.31Å; N446-G448 PolarHBondContact O-N 3.42Å; N446-L449 WeakPolarHBondContact O-CB 3.33Å; N446-L449 PolarHBondContact O-N 3.38Å; N446-Y450 HydrophobicContact CB-CE2 4.49Å; N446-Y450 WeakPolarHBondContact O-CD2 3.32Å; N446-Y450 PolarHBondContact O-N 2.93Å |
| 447 | G | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G443 I444 S445 Y450 V451 | G443-G447 PolarHBondContact O-N 2.61Å; I444-G447 PolarHBondContact O-N 3.46Å; S445-G447 VanDerWaalsContact C-N 3.3Å; S445-G447 PolarHBondContact O-N 2.98Å; G447-Y450 PolarHBondContact O-N 2.82Å; G447-V451 WeakPolarHBondContact O-CG2 3.49Å; G447-V451 PolarHBondContact O-N 3Å; G447-V451 VanDerWaalsContact O-N 3.07Å |
| 448 | G | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y341 I444 S445 N446 Y450 V451 M452 | Y341-G448 VanDerWaalsContact CE2-CA 3.48Å; I444-G448 PolarHBondContact O-N 3.05Å; S445-G448 PolarHBondContact O-N 3.44Å; N446-G448 VanDerWaalsContact C-N 3.31Å; N446-G448 PolarHBondContact O-N 3.42Å; G448-Y450 PolarHBondContact O-N 3.16Å; G448-V451 PolarHBondContact O-N 2.79Å; G448-M452 WeakPolarHBondContact O-CB 3.28Å; G448-M452 VanDerWaalsContact O-CG 3.29Å; G448-M452 WeakPolarHBondContact O-CG 3.36Å; G448-M452 PolarHBondContact O-N 2.87Å |
| 449 | L | 96.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 12 Ų | 12 | 3% | 0.031 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.1 | -53.8 | 176 | -69.4 | 175.6 | 0 | 0 | 0 | 110.4 | V291 F395 T398 L399 S445 N446 V451 M452 F453 | V291-L449 HydrophobicContact CG2-CD1 3.69Å; F395-L449 HydrophobicContact CD2-CD2 3.85Å; F395-L449 HydrophobicContact CE2-CD2 3.58Å; T398-L449 HydrophobicContact CG2-CD2 4Å; T398-L449 HydrophobicContact CG2-CG 3.84Å; L399-L449 HydrophobicContact CD2-CD2 3.94Å; L399-L449 HydrophobicContact CG-CD2 4.31Å; S445-L449 WeakPolarHBondContact O-CG 3.33Å; S445-L449 PolarHBondContact O-N 2.83Å; N446-L449 WeakPolarHBondContact O-CB 3.33Å; N446-L449 PolarHBondContact O-N 3.38Å; L449-V451 VanDerWaalsContact C-N 3.31Å; L449-V451 PolarHBondContact O-N 2.91Å; L449-M452 PolarHBondContact O-N 3.1Å; L449-F453 HydrophobicContact CB-CE1 3.88Å; L449-F453 HydrophobicContact CB-CZ 4.41Å; L449-F453 WeakPolarHBondContact O-CD1 3.49Å; L449-F453 WeakPolarHBondContact O-CE1 3.46Å; L449-F453 PolarHBondContact O-N 3.16Å; L449-F453 VanDerWaalsContact O-N 3.11Å |
| 450 | Y | 94.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 13 Ų | 13 | 15% | 0.153 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.1 | -37.9 | 179.8 | -74.8 | -65.5 | 0 | 0 | 0 | 114 | F19 L334 N446 G447 G448 M452 F453 P454 | F19-Y450 VanDerWaalsContact CZ-OH 3.29Å; F19-Y450 WeakPolarHBondContact CZ-OH 3.39Å; L334-Y450 HydrophobicContact CD1-CD2 3.76Å; L334-Y450 HydrophobicContact CD1-CE2 4.02Å; N446-Y450 HydrophobicContact CB-CE2 4.49Å; N446-Y450 WeakPolarHBondContact O-CD2 3.32Å; N446-Y450 PolarHBondContact O-N 2.93Å; G447-Y450 PolarHBondContact O-N 2.82Å; G448-Y450 PolarHBondContact O-N 3.16Å; Y450-M452 VanDerWaalsContact C-N 3.31Å; Y450-F453 AromaticContact CD1-CD2 3.84Å; Y450-F453 HydrophobicContact CD1-CD2 3.84Å; Y450-F453 AromaticContact CD1-CE2 3.39Å; Y450-F453 HydrophobicContact CD1-CE2 3.39Å; Y450-F453 AromaticContact CD1-CZ 3.98Å; Y450-F453 HydrophobicContact CD1-CZ 3.98Å; Y450-F453 HydrophobicContact CE1-CD2 4.45Å; Y450-F453 AromaticContact CE1-CE2 3.65Å; Y450-F453 HydrophobicContact CE1-CE2 3.65Å; Y450-F453 HydrophobicContact CE1-CZ 4.19Å; Y450-F453 HydrophobicContact CG-CE2 4.33Å; Y450-F453 PolarHBondContact O-N 3.02Å; Y450-P454 WeakPolarHBondContact O-CD 3.19Å |
| 451 | V | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -70.9 | -29.8 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | I102 Q338 G447 G448 L449 Q455 | I102-V451 HydrophobicContact CG2-CG1 4.36Å; Q338-V451 HydrophobicContact CB-CG2 4.05Å; Q338-V451 HydrophobicContact CG-CG2 4.09Å; G447-V451 WeakPolarHBondContact O-CG2 3.49Å; G447-V451 PolarHBondContact O-N 3Å; G447-V451 VanDerWaalsContact O-N 3.07Å; G448-V451 PolarHBondContact O-N 2.79Å; L449-V451 VanDerWaalsContact C-N 3.31Å; L449-V451 PolarHBondContact O-N 2.91Å; V451-Q455 WeakPolarHBondContact O-CG 3.19Å; V451-Q455 PolarHBondContact O-NE2 3.49Å; V451-Q455 VanDerWaalsContact O-NE2 3.14Å |
| 452 | M | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -75.8 | -25.6 | 177 | -71.8 | -53.9 | 95 | 0 | 0 | 112.9 | Y280 T345 I394 F395 G448 L449 Y450 Q455 L456 | Y280-M452 PolarHBondContact OH-O 3.41Å; T345-M452 HydrophobicContact CG2-CE 3.21Å; T345-M452 HydrophobicContact CG2-SD 4.09Å; I394-M452 HydrophobicContact CB-SD 4.34Å; I394-M452 HydrophobicContact CG2-CE 4.37Å; I394-M452 HydrophobicContact CG2-CG 4.37Å; I394-M452 HydrophobicContact CG2-SD 3.86Å; F395-M452 HydrophobicContact CB-CG 4.27Å; F395-M452 HydrophobicContact CD2-CB 4.25Å; G448-M452 WeakPolarHBondContact O-CB 3.28Å; G448-M452 VanDerWaalsContact O-CG 3.29Å; G448-M452 WeakPolarHBondContact O-CG 3.36Å; G448-M452 PolarHBondContact O-N 2.87Å; L449-M452 PolarHBondContact O-N 3.1Å; Y450-M452 VanDerWaalsContact C-N 3.31Å; M452-Q455 PolarHBondContact O-N 2.95Å; M452-L456 HydrophobicContact CB-CD1 4.32Å; M452-L456 PolarHBondContact O-N 3.07Å |
| 453 | F | 91.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 13 Ų | 13 | 4% | 0.039 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -50.4 | -62.9 | -177.8 | -67.5 | 3.5 | 0 | 0 | 0 | 112.5 | Y280 N284 L449 Y450 Q455 I457 F473 L474 | Y280-F453 WeakPolarHBondContact OH-CA 3.13Å; N284-F453 WeakPolarHBondContact ND2-CD1 3.2Å; N284-F453 WeakPolarHBondContact ND2-CE1 3.39Å; L449-F453 HydrophobicContact CB-CE1 3.88Å; L449-F453 HydrophobicContact CB-CZ 4.41Å; L449-F453 WeakPolarHBondContact O-CD1 3.49Å; L449-F453 WeakPolarHBondContact O-CE1 3.46Å; L449-F453 PolarHBondContact O-N 3.16Å; L449-F453 VanDerWaalsContact O-N 3.11Å; Y450-F453 AromaticContact CD1-CD2 3.84Å; Y450-F453 HydrophobicContact CD1-CD2 3.84Å; Y450-F453 AromaticContact CD1-CE2 3.39Å; Y450-F453 HydrophobicContact CD1-CE2 3.39Å; Y450-F453 AromaticContact CD1-CZ 3.98Å; Y450-F453 HydrophobicContact CD1-CZ 3.98Å; Y450-F453 HydrophobicContact CE1-CD2 4.45Å; Y450-F453 AromaticContact CE1-CE2 3.65Å; Y450-F453 HydrophobicContact CE1-CE2 3.65Å; Y450-F453 HydrophobicContact CE1-CZ 4.19Å; Y450-F453 HydrophobicContact CG-CE2 4.33Å; Y450-F453 PolarHBondContact O-N 3.02Å; F453-Q455 VanDerWaalsContact C-N 3.32Å; F453-Q455 PolarHBondContact O-N 3.12Å; F453-I457 VanDerWaalsContact O-CD1 3.26Å; F453-I457 WeakPolarHBondContact O-CD1 3.37Å; F453-I457 WeakPolarHBondContact O-CG1 3.4Å; F453-I457 PolarHBondContact O-N 3.5Å; F453-F473 HydrophobicContact CB-CE1 3.75Å; F453-F473 HydrophobicContact CB-CZ 3.9Å; F453-F473 AromaticContact CD1-CE1 3.81Å; F453-F473 HydrophobicContact CD1-CE1 3.81Å; F453-F473 AromaticContact CD1-CZ 3.38Å; F453-F473 HydrophobicContact CD1-CZ 3.38Å; F453-F473 AromaticContact CD2-CE1 3.41Å; F453-F473 HydrophobicContact CD2-CE1 3.41Å; F453-F473 VanDerWaalsContact CD2-CE1 3.41Å; F453-F473 AromaticContact CD2-CZ 3.91Å; F453-F473 HydrophobicContact CD2-CZ 3.91Å; F453-F473 HydrophobicContact CE1-CE1 4.29Å; F453-F473 AromaticContact CE1-CZ 3.86Å; F453-F473 HydrophobicContact CE1-CZ 3.86Å; F453-F473 AromaticContact CE2-CE1 3.85Å; F453-F473 HydrophobicContact CE2-CE1 3.85Å; F453-F473 HydrophobicContact CE2-CZ 4.25Å; F453-F473 AromaticContact CG-CE1 3.36Å; F453-F473 HydrophobicContact CG-CE1 3.36Å; F453-F473 AromaticContact CG-CZ 3.43Å; F453-F473 HydrophobicContact CG-CZ 3.43Å; F453-F473 VanDerWaalsContact CG-CZ 3.43Å; F453-F473 HydrophobicContact CZ-CE1 4.28Å; F453-F473 HydrophobicContact CZ-CZ 4.24Å; F453-L474 HydrophobicContact CD2-CD2 4.48Å |
| 454 | P | 92.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.1 | -32.2 | -177.7 | 29.6 | -37.1 | 0 | 0 | 0 | 112.1 | L85 T89 I102 Y450 I458 W466 | L85-P454 HydrophobicContact CD1-CB 4.34Å; L85-P454 HydrophobicContact CD1-CG 4.27Å; T89-P454 HydrophobicContact CG2-CB 4.48Å; I102-P454 HydrophobicContact CB-CG 4.44Å; I102-P454 HydrophobicContact CD1-CB 4.37Å; I102-P454 HydrophobicContact CD1-CG 4.01Å; I102-P454 HydrophobicContact CG1-CG 4.11Å; I102-P454 HydrophobicContact CG2-CG 3.49Å; I102-P454 VanDerWaalsContact CG2-CG 3.49Å; Y450-P454 WeakPolarHBondContact O-CD 3.19Å; P454-I458 WeakPolarHBondContact O-CG1 3.33Å; P454-I458 PolarHBondContact O-N 2.95Å; P454-I458 VanDerWaalsContact O-N 3.17Å; P454-W466 HydrophobicContact CB-CZ2 3.8Å; P454-W466 PolarHBondContact O-NE1 3.27Å; P454-W466 VanDerWaalsContact O-NE1 3.07Å |
| 455 | Q | 93.3 | Very high | 94 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.8 | -50.6 | -174 | -62.2 | -169.1 | 50.2 | 0 | 0 | 112.7 | F98 T345 H391 V451 M452 F453 I457 I458 D459 | F98-Q455 HydrophobicContact CD1-CG 4.11Å; F98-Q455 HydrophobicContact CE1-CB 4.29Å; F98-Q455 HydrophobicContact CE1-CG 3.7Å; T345-Q455 VanDerWaalsContact CB-OE1 3.27Å; T345-Q455 PolarHBondContact OG1-NE2 2.6Å; T345-Q455 PolarHBondContact OG1-OE1 3.06Å; H391-Q455 PolarHBondContact CE1-OE1 2.86Å; H391-Q455 PolarHBondContact NE2-OE1 3.3Å; V451-Q455 WeakPolarHBondContact O-CG 3.19Å; V451-Q455 PolarHBondContact O-NE2 3.49Å; V451-Q455 VanDerWaalsContact O-NE2 3.14Å; M452-Q455 PolarHBondContact O-N 2.95Å; F453-Q455 VanDerWaalsContact C-N 3.32Å; F453-Q455 PolarHBondContact O-N 3.12Å; Q455-I457 VanDerWaalsContact C-N 3.29Å; Q455-I457 PolarHBondContact O-N 2.91Å; Q455-I458 PolarHBondContact O-N 2.68Å; Q455-D459 PolarHBondContact O-N 3.3Å |
| 456 | L | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.3 | -32 | 179.3 | -82.3 | 171.2 | 0 | 0 | 0 | 112 | Y280 Y388 H391 L392 F395 M452 D459 I460 | Y280-L456 HydrophobicContact CD1-CB 4.44Å; Y280-L456 HydrophobicContact CD2-CD1 4.09Å; Y280-L456 HydrophobicContact CE1-CB 3.84Å; Y280-L456 HydrophobicContact CE2-CB 4Å; Y280-L456 HydrophobicContact CE2-CD1 3.36Å; Y280-L456 HydrophobicContact CE2-CG 4.31Å; Y388-L456 HydrophobicContact CD2-CD2 4.16Å; Y388-L456 HydrophobicContact CE2-CD2 4.27Å; H391-L456 HydrophobicContact CB-CD2 3.67Å; H391-L456 HydrophobicContact CB-CG 4.1Å; L392-L456 HydrophobicContact CB-CD2 4.46Å; F395-L456 HydrophobicContact CB-CD1 3.65Å; F395-L456 HydrophobicContact CD1-CD1 4.31Å; F395-L456 HydrophobicContact CD2-CD1 4.26Å; F395-L456 HydrophobicContact CG-CD1 3.83Å; M452-L456 HydrophobicContact CB-CD1 4.32Å; M452-L456 PolarHBondContact O-N 3.07Å; L456-D459 PolarHBondContact O-N 3.42Å; L456-I460 HydrophobicContact CB-CD1 4.45Å; L456-I460 WeakPolarHBondContact O-CB 3.14Å; L456-I460 WeakPolarHBondContact O-CD1 3.37Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 2.76Å |
| 457 | I | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.1 | -48.3 | 174.1 | -63.7 | 170.6 | 0 | 0 | 0 | 109.9 | Y280 F453 Q455 D459 I460 V461 W466 L470 F473 | Y280-I457 HydrophobicContact CD1-CG1 4.38Å; Y280-I457 HydrophobicContact CE1-CG1 3.93Å; F453-I457 VanDerWaalsContact O-CD1 3.26Å; F453-I457 WeakPolarHBondContact O-CD1 3.37Å; F453-I457 WeakPolarHBondContact O-CG1 3.4Å; F453-I457 PolarHBondContact O-N 3.5Å; Q455-I457 VanDerWaalsContact C-N 3.29Å; Q455-I457 PolarHBondContact O-N 2.91Å; I457-D459 VanDerWaalsContact C-N 3.32Å; I457-D459 PolarHBondContact O-N 3.5Å; I457-I460 PolarHBondContact O-N 3.24Å; I457-V461 HydrophobicContact CG2-CG2 3.82Å; I457-V461 VanDerWaalsContact O-CG2 3.26Å; I457-V461 WeakPolarHBondContact O-CG2 3.46Å; I457-V461 PolarHBondContact O-N 2.8Å; I457-W466 HydrophobicContact CG2-CG 4.38Å; I457-L470 HydrophobicContact CD1-CB 4.31Å; I457-L470 HydrophobicContact CD1-CD1 4.04Å; I457-F473 HydrophobicContact CD1-CB 3.74Å; I457-F473 HydrophobicContact CD1-CD1 4.08Å; I457-F473 HydrophobicContact CD1-CD2 4Å; I457-F473 HydrophobicContact CD1-CG 3.68Å; I457-F473 HydrophobicContact CG1-CD2 4.44Å |
| 458 | I | 93.8 | Very high | 93.8 | Very high | 17 Ų | 17 | 19.1 Ų | 19.1 | 9% | 0.087 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 176.8 | -67.1 | -173.8 | 0 | 0 | 0 | 110.7 | E93 F98 P454 Q455 I460 G462 T463 W466 | E93-I458 HydrophobicContact CB-CD1 4.22Å; F98-I458 HydrophobicContact CE1-CD1 3.82Å; F98-I458 HydrophobicContact CE2-CD1 4.13Å; F98-I458 HydrophobicContact CZ-CD1 3.38Å; F98-I458 HydrophobicContact CZ-CG1 4.48Å; P454-I458 WeakPolarHBondContact O-CG1 3.33Å; P454-I458 PolarHBondContact O-N 2.95Å; P454-I458 VanDerWaalsContact O-N 3.17Å; Q455-I458 PolarHBondContact O-N 2.68Å; I458-I460 VanDerWaalsContact C-N 3.27Å; I458-I460 PolarHBondContact O-N 3.38Å; I458-G462 WeakPolarHBondContact O-CA 3.47Å; I458-G462 PolarHBondContact O-N 2.87Å; I458-T463 HydrophobicContact CG2-CG2 4.14Å; I458-W466 HydrophobicContact CD1-CG 4.24Å; I458-W466 HydrophobicContact CG1-CB 4.17Å; I458-W466 HydrophobicContact CG1-CD2 4.3Å; I458-W466 HydrophobicContact CG1-CG 3.57Å |
| 459 | D | 92.2 | Very high | 93.9 | Very high | 38 Ų | 38 | 19.1 Ų | 19.1 | 20% | 0.203 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.6 | -27.9 | -177.1 | -66.7 | -26.1 | 0 | 0 | 0 | 113.1 | K387 Y388 H391 Q455 L456 I457 | K387-D459 WeakPolarHBondContact CE-OD1 3.08Å; K387-D459 IonicContact NZ-OD1 2.71Å; Y388-D459 HydrophobicContact CD2-CB 4.3Å; H391-D459 IonicContact CE1-OD2 2.67Å; H391-D459 IonicContact CG-OD2 3.69Å; H391-D459 IonicContact ND1-OD2 3.58Å; H391-D459 PolarHBondContact ND1-OD2 3.17Å; Q455-D459 PolarHBondContact O-N 3.3Å; L456-D459 PolarHBondContact O-N 3.42Å; I457-D459 VanDerWaalsContact C-N 3.32Å; I457-D459 PolarHBondContact O-N 3.5Å |
| 460 | I | 94.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 18.8 Ų | 18.8 | 11% | 0.108 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -87.6 | -47.2 | -178.8 | -67.6 | 164.2 | 0 | 0 | 0 | 112.7 | N274 N276 F277 Y280 Y388 L456 I457 I458 | N274-I460 PolarHBondContact ND2-O 3.5Å; N276-I460 HydrophobicContact CB-CD1 4.48Å; N276-I460 HydrophobicContact CB-CG1 4.24Å; N276-I460 HydrophobicContact CB-CG2 3.76Å; F277-I460 HydrophobicContact CB-CG2 3.73Å; Y280-I460 HydrophobicContact CD1-CD1 4.09Å; Y280-I460 HydrophobicContact CG-CD1 4.01Å; Y388-I460 HydrophobicContact CD2-CG1 3.93Å; Y388-I460 HydrophobicContact CE2-CD1 4.01Å; Y388-I460 HydrophobicContact CE2-CG1 3.52Å; L456-I460 HydrophobicContact CB-CD1 4.45Å; L456-I460 WeakPolarHBondContact O-CB 3.14Å; L456-I460 WeakPolarHBondContact O-CD1 3.37Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 2.76Å; I457-I460 PolarHBondContact O-N 3.24Å; I458-I460 VanDerWaalsContact C-N 3.27Å; I458-I460 PolarHBondContact O-N 3.38Å |
| 461 | V | 94.4 | Very high | 94.1 | Very high | 24 Ų | 24 | 17 Ų | 17 | 15% | 0.145 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -107.7 | -12.2 | -170.6 | -51.5 | 0 | 0 | 0 | 0 | 113.7 | L271 F277 I457 L465 | L271-V461 HydrophobicContact CD2-CB 3.9Å; L271-V461 HydrophobicContact CD2-CG1 3.59Å; L271-V461 HydrophobicContact CD2-CG2 4.2Å; F277-V461 HydrophobicContact CB-CG1 4.02Å; F277-V461 HydrophobicContact CD2-CG1 3.56Å; F277-V461 HydrophobicContact CE2-CG1 4.23Å; F277-V461 HydrophobicContact CG-CG1 3.85Å; I457-V461 HydrophobicContact CG2-CG2 3.82Å; I457-V461 VanDerWaalsContact O-CG2 3.26Å; I457-V461 WeakPolarHBondContact O-CG2 3.46Å; I457-V461 PolarHBondContact O-N 2.8Å; V461-L465 HydrophobicContact CB-CB 4.3Å; V461-L465 HydrophobicContact CG2-CB 4.11Å |
| 462 | G | 91.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 18.3 Ų | 18.3 | 31% | 0.309 | 10% | 0.104 | S | C | . | . | trans | 82.4 | 170.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I458 E464 W466 | I458-G462 WeakPolarHBondContact O-CA 3.47Å; I458-G462 PolarHBondContact O-N 2.87Å; G462-E464 PolarHBondContact O-N 3.5Å; G462-W466 WeakPolarHBondContact O-CB 3.38Å; G462-W466 PolarHBondContact O-N 3.36Å | ||
| 463 | T | 89.4 | Confident | 94.2 | Very high | 70 Ų | 70 | 18.4 Ų | 18.4 | 43% | 0.429 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -66.4 | -34.8 | -177.3 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | E93 I458 L465 W466 | E93-T463 HydrophobicContact CB-CG2 4.46Å; E93-T463 WeakPolarHBondContact OE2-CB 3.27Å; E93-T463 WeakPolarHBondContact OE2-CG2 3.22Å; I458-T463 HydrophobicContact CG2-CG2 4.14Å; T463-L465 PolarHBondContact O-N 3.33Å; T463-W466 WeakPolarHBondContact O-CB 3.47Å; T463-W466 PolarHBondContact O-N 3.16Å |
| 464 | E | 88.1 | Confident | 94.5 | Very high | 116 Ų | 116 | 18.1 Ų | 18.1 | 54% | 0.542 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -42.7 | -178.8 | -170.9 | -165.8 | 171.8 | 0 | 0 | 113.2 | K270 G462 | K270-E464 IonicContact NZ-OE2 3.84Å; G462-E464 PolarHBondContact O-N 3.5Å |
| 465 | L | 94.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 8 | -177.4 | -67.3 | 172.4 | 0 | 0 | 0 | 112.6 | R265 K270 L271 V461 T463 S467 S468 G469 | R265-L465 HydrophobicContact CB-CD2 4.01Å; R265-L465 HydrophobicContact CG-CD2 4.33Å; K270-L465 HydrophobicContact CB-CD1 3.61Å; K270-L465 HydrophobicContact CD-CD1 3.93Å; K270-L465 HydrophobicContact CG-CD1 4.41Å; L271-L465 HydrophobicContact CD2-CB 4.08Å; L271-L465 HydrophobicContact CD2-CD1 4.4Å; L271-L465 HydrophobicContact CG-CB 4.5Å; L271-L465 HydrophobicContact CG-CD1 4.26Å; V461-L465 HydrophobicContact CB-CB 4.3Å; V461-L465 HydrophobicContact CG2-CB 4.11Å; T463-L465 PolarHBondContact O-N 3.33Å; L465-S467 PolarHBondContact O-N 2.93Å; L465-S468 PolarHBondContact O-N 2.86Å; L465-G469 PolarHBondContact O-N 2.8Å |
| 466 | W | 95 | Very high | 94.8 | Very high | 14 Ų | 14 | 22.5 Ų | 22.5 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | -175.1 | 173.4 | 73.4 | 0 | 0 | 0 | 112.3 | L85 M86 T89 P454 I457 I458 G462 T463 S468 G469 L470 | L85-W466 HydrophobicContact CG-CH2 4.38Å; M86-W466 HydrophobicContact CB-CH2 4.34Å; M86-W466 HydrophobicContact CB-CZ3 4.14Å; M86-W466 HydrophobicContact CE-CZ3 4.5Å; M86-W466 HydrophobicContact CG-CH2 3.85Å; M86-W466 HydrophobicContact CG-CZ3 3.76Å; T89-W466 HydrophobicContact CG2-CH2 3.52Å; T89-W466 HydrophobicContact CG2-CZ2 3.48Å; T89-W466 VanDerWaalsContact CG2-CZ2 3.48Å; T89-W466 HydrophobicContact CG2-CZ3 4.35Å; T89-W466 WeakPolarHBondContact OG1-CH2 3.48Å; T89-W466 WeakPolarHBondContact OG1-CZ3 3.46Å; P454-W466 HydrophobicContact CB-CZ2 3.8Å; P454-W466 PolarHBondContact O-NE1 3.27Å; P454-W466 VanDerWaalsContact O-NE1 3.07Å; I457-W466 HydrophobicContact CG2-CG 4.38Å; I458-W466 HydrophobicContact CD1-CG 4.24Å; I458-W466 HydrophobicContact CG1-CB 4.17Å; I458-W466 HydrophobicContact CG1-CD2 4.3Å; I458-W466 HydrophobicContact CG1-CG 3.57Å; G462-W466 WeakPolarHBondContact O-CB 3.38Å; G462-W466 PolarHBondContact O-N 3.36Å; T463-W466 WeakPolarHBondContact O-CB 3.47Å; T463-W466 PolarHBondContact O-N 3.16Å; W466-S468 PolarHBondContact O-N 3.4Å; W466-G469 CarbonylContact O-C 3.48Å; W466-G469 PolarHBondContact O-N 2.82Å; W466-L470 HydrophobicContact CH2-CD2 3.65Å; W466-L470 HydrophobicContact CZ2-CD2 3.76Å; W466-L470 HydrophobicContact CZ3-CD2 4.33Å; W466-L470 WeakPolarHBondContact O-CB 3.47Å; W466-L470 PolarHBondContact O-N 3.18Å |
| 467 | S | 95.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 6% | 0.056 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 179.6 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | C30 D34 M86 L465 L470 G471 | C30-S467 WeakPolarHBondContact CB-OG 3.46Å; D34-S467 WeakPolarHBondContact OD2-CB 3.34Å; D34-S467 PolarHBondContact OD2-OG 3.11Å; M86-S467 WeakPolarHBondContact CE-OG 3.45Å; L465-S467 PolarHBondContact O-N 2.93Å; S467-L470 PolarHBondContact O-N 3.16Å; S467-G471 PolarHBondContact O-N 3.42Å |
| 468 | S | 96.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 175.5 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | R265 L465 W466 G471 L472 | R265-S468 VanDerWaalsContact CB-OG 3.25Å; R265-S468 WeakPolarHBondContact CB-OG 3.42Å; L465-S468 PolarHBondContact O-N 2.86Å; W466-S468 PolarHBondContact O-N 3.4Å; S468-G471 PolarHBondContact O-N 3.39Å; S468-L472 WeakPolarHBondContact O-CG 3.33Å; S468-L472 PolarHBondContact O-N 3.04Å; S468-L472 VanDerWaalsContact O-N 3.09Å |
| 469 | G | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L465 W466 L472 F473 | L465-G469 PolarHBondContact O-N 2.8Å; W466-G469 CarbonylContact O-C 3.48Å; W466-G469 PolarHBondContact O-N 2.82Å; G469-L472 PolarHBondContact O-N 3.24Å; G469-F473 WeakPolarHBondContact O-CB 3.37Å; G469-F473 PolarHBondContact O-N 3.02Å |
| 470 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.9 | -178.6 | 69.6 | 0 | 0 | 0 | 111.5 | L82 L85 M86 I457 W466 S467 F473 L474 | L82-L470 HydrophobicContact CD2-CD2 3.84Å; L85-L470 HydrophobicContact CD2-CD1 4.39Å; L85-L470 HydrophobicContact CD2-CD2 4.01Å; M86-L470 HydrophobicContact CG-CD2 4.41Å; I457-L470 HydrophobicContact CD1-CB 4.31Å; I457-L470 HydrophobicContact CD1-CD1 4.04Å; W466-L470 HydrophobicContact CH2-CD2 3.65Å; W466-L470 HydrophobicContact CZ2-CD2 3.76Å; W466-L470 HydrophobicContact CZ3-CD2 4.33Å; W466-L470 WeakPolarHBondContact O-CB 3.47Å; W466-L470 PolarHBondContact O-N 3.18Å; S467-L470 PolarHBondContact O-N 3.16Å; L470-F473 PolarHBondContact O-N 2.83Å; L470-L474 HydrophobicContact CD1-CD1 3.89Å; L470-L474 HydrophobicContact CD1-CG 4.07Å; L470-L474 HydrophobicContact CD2-CD1 4.48Å; L470-L474 HydrophobicContact CG-CD1 3.87Å; L470-L474 HydrophobicContact CG-CG 4.37Å; L470-L474 WeakPolarHBondContact O-CB 3.38Å; L470-L474 WeakPolarHBondContact O-CG 3.48Å; L470-L474 PolarHBondContact O-N 3.43Å |
| 471 | G | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57 | -54 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S467 S468 F473 L474 T475 | S467-G471 PolarHBondContact O-N 3.42Å; S468-G471 PolarHBondContact O-N 3.39Å; G471-F473 PolarHBondContact O-N 3.33Å; G471-L474 PolarHBondContact O-N 3.48Å; G471-T475 PolarHBondContact O-N 2.94Å; G471-T475 PolarHBondContact O-OG1 3.4Å |
| 472 | L | 97.1 | Very high | 94.4 | Very high | 29 Ų | 29 | 26 Ų | 26 | 15% | 0.152 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 178.2 | -69.4 | 177.2 | 0 | 0 | 0 | 112.4 | L266 L271 W272 F277 S468 G469 T475 F476 | L266-L472 HydrophobicContact CD2-CD2 4.37Å; L266-L472 HydrophobicContact CD2-CG 4.17Å; L271-L472 HydrophobicContact CD1-CD1 4Å; W272-L472 HydrophobicContact CH2-CD2 4.39Å; W272-L472 HydrophobicContact CZ2-CD1 3.88Å; W272-L472 HydrophobicContact CZ2-CD2 3.8Å; F277-L472 HydrophobicContact CE1-CD1 4.08Å; F277-L472 HydrophobicContact CZ-CB 4.16Å; F277-L472 HydrophobicContact CZ-CD1 4.29Å; S468-L472 WeakPolarHBondContact O-CG 3.33Å; S468-L472 PolarHBondContact O-N 3.04Å; S468-L472 VanDerWaalsContact O-N 3.09Å; G469-L472 PolarHBondContact O-N 3.24Å; L472-T475 PolarHBondContact O-N 3.5Å; L472-F476 PolarHBondContact O-N 2.92Å; L472-F476 VanDerWaalsContact O-N 3.13Å |
| 473 | F | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.7 | -52.1 | 178.3 | 173.8 | -83.8 | 0 | 0 | 0 | 111.6 | Y280 V281 N284 F453 I457 G469 L470 G471 T475 F476 N477 | Y280-F473 AromaticContact CD1-CD2 4Å; Y280-F473 HydrophobicContact CD1-CD2 4Å; Y280-F473 AromaticContact CD1-CE2 3.84Å; Y280-F473 HydrophobicContact CD1-CE2 3.84Å; Y280-F473 AromaticContact CE1-CD2 3.74Å; Y280-F473 HydrophobicContact CE1-CD2 3.74Å; Y280-F473 AromaticContact CE1-CE2 3.28Å; Y280-F473 HydrophobicContact CE1-CE2 3.28Å; Y280-F473 HydrophobicContact CE1-CZ 4.16Å; Y280-F473 AromaticContact CZ-CE2 3.72Å; V281-F473 HydrophobicContact CG2-CB 4.21Å; V281-F473 HydrophobicContact CG2-CD2 4.09Å; N284-F473 HydrophobicContact CB-CD2 4.37Å; N284-F473 HydrophobicContact CB-CE2 3.42Å; N284-F473 VanDerWaalsContact CB-CE2 3.42Å; N284-F473 HydrophobicContact CB-CZ 3.74Å; N284-F473 WeakPolarHBondContact ND2-CZ 3.35Å; N284-F473 WeakPolarHBondContact OD1-CZ 3.27Å; F453-F473 HydrophobicContact CB-CE1 3.75Å; F453-F473 HydrophobicContact CB-CZ 3.9Å; F453-F473 AromaticContact CD1-CE1 3.81Å; F453-F473 HydrophobicContact CD1-CE1 3.81Å; F453-F473 AromaticContact CD1-CZ 3.38Å; F453-F473 HydrophobicContact CD1-CZ 3.38Å; F453-F473 AromaticContact CD2-CE1 3.41Å; F453-F473 HydrophobicContact CD2-CE1 3.41Å; F453-F473 VanDerWaalsContact CD2-CE1 3.41Å; F453-F473 AromaticContact CD2-CZ 3.91Å; F453-F473 HydrophobicContact CD2-CZ 3.91Å; F453-F473 HydrophobicContact CE1-CE1 4.29Å; F453-F473 AromaticContact CE1-CZ 3.86Å; F453-F473 HydrophobicContact CE1-CZ 3.86Å; F453-F473 AromaticContact CE2-CE1 3.85Å; F453-F473 HydrophobicContact CE2-CE1 3.85Å; F453-F473 HydrophobicContact CE2-CZ 4.25Å; F453-F473 AromaticContact CG-CE1 3.36Å; F453-F473 HydrophobicContact CG-CE1 3.36Å; F453-F473 AromaticContact CG-CZ 3.43Å; F453-F473 HydrophobicContact CG-CZ 3.43Å; F453-F473 VanDerWaalsContact CG-CZ 3.43Å; F453-F473 HydrophobicContact CZ-CE1 4.28Å; F453-F473 HydrophobicContact CZ-CZ 4.24Å; I457-F473 HydrophobicContact CD1-CB 3.74Å; I457-F473 HydrophobicContact CD1-CD1 4.08Å; I457-F473 HydrophobicContact CD1-CD2 4Å; I457-F473 HydrophobicContact CD1-CG 3.68Å; I457-F473 HydrophobicContact CG1-CD2 4.44Å; G469-F473 WeakPolarHBondContact O-CB 3.37Å; G469-F473 PolarHBondContact O-N 3.02Å; L470-F473 PolarHBondContact O-N 2.83Å; G471-F473 PolarHBondContact O-N 3.33Å; F473-T475 VanDerWaalsContact C-N 3.34Å; F473-T475 PolarHBondContact O-N 2.91Å; F473-F476 PolarHBondContact O-N 3.39Å; F473-N477 WeakPolarHBondContact O-CB 3.43Å; F473-N477 PolarHBondContact O-N 2.93Å |
| 474 | L | 96.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.3 | -35.8 | -179.7 | -72.5 | 175.3 | 0 | 0 | 0 | 111.7 | Q23 A26 Y81 L82 F453 L470 G471 F476 N477 G478 | Q23-L474 HydrophobicContact CB-CB 4.26Å; Q23-L474 VanDerWaalsContact CB-O 3.29Å; Q23-L474 WeakPolarHBondContact CB-O 3.09Å; Q23-L474 CarbonylContact O-C 3.59Å; A26-L474 HydrophobicContact CB-CB 3.56Å; A26-L474 HydrophobicContact CB-CD1 3.96Å; A26-L474 HydrophobicContact CB-CG 4.42Å; Y81-L474 HydrophobicContact CE1-CD1 4.36Å; L82-L474 HydrophobicContact CD2-CD1 3.82Å; F453-L474 HydrophobicContact CD2-CD2 4.48Å; L470-L474 HydrophobicContact CD1-CD1 3.89Å; L470-L474 HydrophobicContact CD1-CG 4.07Å; L470-L474 HydrophobicContact CD2-CD1 4.48Å; L470-L474 HydrophobicContact CG-CD1 3.87Å; L470-L474 HydrophobicContact CG-CG 4.37Å; L470-L474 WeakPolarHBondContact O-CB 3.38Å; L470-L474 WeakPolarHBondContact O-CG 3.48Å; L470-L474 PolarHBondContact O-N 3.43Å; G471-L474 PolarHBondContact O-N 3.48Å; L474-F476 VanDerWaalsContact C-N 3.34Å; L474-F476 PolarHBondContact O-N 3.41Å; L474-N477 PolarHBondContact O-N 3.06Å; L474-G478 PolarHBondContact O-N 2.81Å |
| 475 | T | 95.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 18.8 Ų | 18.8 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 176.2 | -47.5 | 0 | 0 | 0 | 0 | 111.1 | Q23 F24 P27 G471 L472 F473 N477 G478 L479 | Q23-T475 WeakPolarHBondContact O-CA 3.23Å; Q23-T475 PolarHBondContact O-N 2.81Å; F24-T475 HydrophobicContact CD2-CG2 4.25Å; P27-T475 WeakPolarHBondContact CD-OG1 3.37Å; P27-T475 HydrophobicContact CG-CG2 4.13Å; P27-T475 WeakPolarHBondContact CG-OG1 3.4Å; G471-T475 PolarHBondContact O-N 2.94Å; G471-T475 PolarHBondContact O-OG1 3.4Å; L472-T475 PolarHBondContact O-N 3.5Å; F473-T475 VanDerWaalsContact C-N 3.34Å; F473-T475 PolarHBondContact O-N 2.91Å; T475-N477 VanDerWaalsContact C-N 3.35Å; T475-G478 PolarHBondContact O-N 3.28Å; T475-L479 PolarHBondContact O-N 2.88Å |
| 476 | F | 95.7 | Very high | 94.1 | Very high | 65 Ų | 65 | 21.3 Ų | 21.3 | 29% | 0.285 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -67 | -39.8 | -179.4 | -169.8 | -102.6 | 0 | 0 | 0 | 111.1 | V281 L472 F473 L474 L479 M480 | V281-F476 HydrophobicContact CG1-CB 3.72Å; V281-F476 HydrophobicContact CG1-CD1 3.85Å; V281-F476 HydrophobicContact CG1-CG 3.9Å; V281-F476 WeakPolarHBondContact O-CD1 3.44Å; L472-F476 PolarHBondContact O-N 2.92Å; L472-F476 VanDerWaalsContact O-N 3.13Å; F473-F476 PolarHBondContact O-N 3.39Å; L474-F476 VanDerWaalsContact C-N 3.34Å; L474-F476 PolarHBondContact O-N 3.41Å; F476-L479 PolarHBondContact O-N 3.23Å; F476-M480 HydrophobicContact CD1-CG 4.18Å; F476-M480 HydrophobicContact CE1-CG 3.8Å; F476-M480 HydrophobicContact CZ-CG 4Å; F476-M480 HydrophobicContact CZ-SD 4.21Å; F476-M480 WeakPolarHBondContact O-CB 3.27Å; F476-M480 VanDerWaalsContact O-CG 3.32Å; F476-M480 WeakPolarHBondContact O-CG 3.25Å; F476-M480 PolarHBondContact O-N 2.62Å |
| 477 | N | 94.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 173.6 | -164.3 | 50.4 | 0 | 0 | 0 | 112 | Q23 N284 G288 F473 L474 T475 M480 N481 | Q23-N477 PolarHBondContact OE1-ND2 3.14Å; N284-N477 PolarHBondContact OD1-OD1 3.41Å; G288-N477 WeakPolarHBondContact CA-OD1 3.27Å; F473-N477 WeakPolarHBondContact O-CB 3.43Å; F473-N477 PolarHBondContact O-N 2.93Å; L474-N477 PolarHBondContact O-N 3.06Å; T475-N477 VanDerWaalsContact C-N 3.35Å; N477-M480 PolarHBondContact O-N 3.21Å; N477-N481 PolarHBondContact ND2-ND2 3.26Å; N477-N481 WeakPolarHBondContact O-CB 3.05Å; N477-N481 PolarHBondContact O-N 2.86Å; N477-N481 PolarHBondContact O-ND2 3.02Å; N477-N481 VanDerWaalsContact O-ND2 3.14Å |
| 478 | G | 93.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -46 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S20 L474 T475 M480 N481 L482 | S20-G478 WeakPolarHBondContact CB-O 3.33Å; L474-G478 PolarHBondContact O-N 2.81Å; T475-G478 PolarHBondContact O-N 3.28Å; G478-M480 VanDerWaalsContact C-N 3.34Å; G478-M480 PolarHBondContact O-N 3.31Å; G478-N481 PolarHBondContact O-N 3.08Å; G478-L482 PolarHBondContact O-N 3.16Å |
| 479 | L | 94.1 | Very high | 92.8 | Very high | 81 Ų | 81 | 24.5 Ų | 24.5 | 42% | 0.424 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.3 | -46 | 175.7 | -178 | 64.2 | 0 | 0 | 0 | 111.4 | T475 F476 L482 C483 | T475-L479 PolarHBondContact O-N 2.88Å; F476-L479 PolarHBondContact O-N 3.23Å; L479-L482 WeakPolarHBondContact O-CB 3.25Å; L479-L482 PolarHBondContact O-N 3.32Å; L479-C483 PolarHBondContact O-N 2.64Å; L479-C483 PolarHBondContact O-SG 3.32Å; L479-C483 VanDerWaalsContact O-SG 3.39Å |
| 480 | M | 94.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 31.3 Ų | 31.3 | 20% | 0.197 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.7 | -35.7 | 179.8 | -70.1 | -61.4 | -65.9 | 0 | 0 | 112.7 | G285 I286 A289 F476 N477 G478 L482 C483 G484 | G285-M480 WeakPolarHBondContact O-CB 3.32Å; I286-M480 HydrophobicContact CG1-CE 4.22Å; A289-M480 HydrophobicContact CB-CB 4.17Å; A289-M480 HydrophobicContact CB-CE 4.06Å; A289-M480 VanDerWaalsContact CB-O 3.3Å; A289-M480 WeakPolarHBondContact CB-O 3.2Å; F476-M480 HydrophobicContact CD1-CG 4.18Å; F476-M480 HydrophobicContact CE1-CG 3.8Å; F476-M480 HydrophobicContact CZ-CG 4Å; F476-M480 HydrophobicContact CZ-SD 4.21Å; F476-M480 WeakPolarHBondContact O-CB 3.27Å; F476-M480 VanDerWaalsContact O-CG 3.32Å; F476-M480 WeakPolarHBondContact O-CG 3.25Å; F476-M480 PolarHBondContact O-N 2.62Å; N477-M480 PolarHBondContact O-N 3.21Å; G478-M480 VanDerWaalsContact C-N 3.34Å; G478-M480 PolarHBondContact O-N 3.31Å; M480-L482 VanDerWaalsContact C-N 3.32Å; M480-L482 PolarHBondContact O-N 3.39Å; M480-C483 WeakPolarHBondContact O-CB 3.28Å; M480-C483 PolarHBondContact O-N 3.05Å; M480-G484 PolarHBondContact O-N 3.38Å |
| 481 | N | 92.2 | Very high | 92 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 172.8 | -70.3 | -24.4 | 0 | 0 | 0 | 111.6 | F19 Q23 G288 N477 G478 G484 T485 | F19-N481 HydrophobicContact CD1-CB 4.1Å; F19-N481 HydrophobicContact CE1-CB 4.11Å; F19-N481 WeakPolarHBondContact CE1-ND2 3.43Å; Q23-N481 PolarHBondContact NE2-ND2 2.75Å; Q23-N481 PolarHBondContact OE1-ND2 3.12Å; Q23-N481 VanDerWaalsContact OE1-ND2 3.12Å; G288-N481 WeakPolarHBondContact CA-OD1 3.29Å; G288-N481 PolarHBondContact O-OD1 3.28Å; N477-N481 PolarHBondContact ND2-ND2 3.26Å; N477-N481 WeakPolarHBondContact O-CB 3.05Å; N477-N481 PolarHBondContact O-N 2.86Å; N477-N481 PolarHBondContact O-ND2 3.02Å; N477-N481 VanDerWaalsContact O-ND2 3.14Å; G478-N481 PolarHBondContact O-N 3.08Å; N481-G484 PolarHBondContact O-N 3.26Å; N481-T485 PolarHBondContact O-N 3.38Å; N481-T485 PolarHBondContact O-OG1 3.15Å; N481-T485 VanDerWaalsContact O-OG1 3.07Å |
| 482 | L | 88.7 | Confident | 91.5 | Very high | 45 Ų | 45 | 35.5 Ų | 35.5 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 173.6 | -173.4 | 64.9 | 0 | 0 | 0 | 110.7 | M21 G478 L479 M480 G484 T485 N486 | M21-L482 HydrophobicContact CE-CD2 3.89Å; G478-L482 PolarHBondContact O-N 3.16Å; L479-L482 WeakPolarHBondContact O-CB 3.25Å; L479-L482 PolarHBondContact O-N 3.32Å; M480-L482 VanDerWaalsContact C-N 3.32Å; M480-L482 PolarHBondContact O-N 3.39Å; L482-G484 PolarHBondContact O-N 2.9Å; L482-T485 PolarHBondContact O-OG1 3.09Å; L482-N486 WeakPolarHBondContact CD1-ND2 3.42Å; L482-N486 PolarHBondContact O-N 3.33Å; L482-N486 PolarHBondContact O-ND2 3.04Å |
| 483 | C | 90.9 | Very high | 90.9 | Very high | 54 Ų | 54 | 37.8 Ų | 37.8 | 37% | 0.365 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 173.7 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | L479 M480 T485 N486 I487 | L479-C483 PolarHBondContact O-N 2.64Å; L479-C483 PolarHBondContact O-SG 3.32Å; L479-C483 VanDerWaalsContact O-SG 3.39Å; M480-C483 WeakPolarHBondContact O-CB 3.28Å; M480-C483 PolarHBondContact O-N 3.05Å; C483-T485 PolarHBondContact O-N 3.37Å; C483-N486 PolarHBondContact O-N 3.29Å; C483-I487 HydrophobicContact CB-CD1 4.39Å; C483-I487 VanDerWaalsContact O-CB 3.3Å; C483-I487 WeakPolarHBondContact O-CB 3.28Å; C483-I487 WeakPolarHBondContact O-CD1 3.47Å; C483-I487 WeakPolarHBondContact O-CG1 3.46Å; C483-I487 PolarHBondContact O-N 3.12Å |
| 484 | G | 90.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M480 N481 L482 G488 | M480-G484 PolarHBondContact O-N 3.38Å; N481-G484 PolarHBondContact O-N 3.26Å; L482-G484 PolarHBondContact O-N 2.9Å; G484-G488 PolarHBondContact O-N 3.28Å |
| 485 | T | 87.6 | Confident | 90.2 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 178.7 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | V292 F297 N481 L482 C483 G488 G489 | V292-T485 HydrophobicContact CB-CG2 4.35Å; V292-T485 HydrophobicContact CG1-CG2 3.96Å; V292-T485 HydrophobicContact CG2-CG2 3.44Å; V292-T485 VanDerWaalsContact CG2-CG2 3.44Å; F297-T485 WeakPolarHBondContact CZ-O 3.47Å; N481-T485 PolarHBondContact O-N 3.38Å; N481-T485 PolarHBondContact O-OG1 3.15Å; N481-T485 VanDerWaalsContact O-OG1 3.07Å; L482-T485 PolarHBondContact O-OG1 3.09Å; C483-T485 PolarHBondContact O-N 3.37Å; T485-G488 PolarHBondContact O-N 2.87Å; T485-G489 PolarHBondContact O-N 3.07Å |
| 486 | N | 87.5 | Confident | 89.8 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 32% | 0.316 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 179.6 | -75.9 | -81.2 | 0 | 0 | 0 | 112.6 | L482 C483 G488 K490 | L482-N486 WeakPolarHBondContact CD1-ND2 3.42Å; L482-N486 PolarHBondContact O-N 3.33Å; L482-N486 PolarHBondContact O-ND2 3.04Å; C483-N486 PolarHBondContact O-N 3.29Å; N486-G488 VanDerWaalsContact C-N 3.34Å; N486-K490 WeakPolarHBondContact O-CB 3.49Å; N486-K490 PolarHBondContact O-N 3.38Å |
| 487 | I | 89.3 | Confident | 89.5 | Confident | 88 Ų | 88 | 50 Ų | 50 | 45% | 0.451 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 175.6 | -69.7 | 167.2 | 0 | 0 | 0 | 110 | C483 K490 I491 | C483-I487 HydrophobicContact CB-CD1 4.39Å; C483-I487 VanDerWaalsContact O-CB 3.3Å; C483-I487 WeakPolarHBondContact O-CB 3.28Å; C483-I487 WeakPolarHBondContact O-CD1 3.47Å; C483-I487 WeakPolarHBondContact O-CG1 3.46Å; C483-I487 PolarHBondContact O-N 3.12Å; I487-K490 PolarHBondContact O-N 2.8Å; I487-I491 HydrophobicContact CG2-CD1 3.75Å; I487-I491 HydrophobicContact CG2-CG1 4.39Å; I487-I491 WeakPolarHBondContact O-CD1 3.31Å; I487-I491 VanDerWaalsContact O-CG1 3.24Å; I487-I491 WeakPolarHBondContact O-CG1 3.42Å; I487-I491 PolarHBondContact O-N 3.29Å |
| 488 | G | 87.2 | Confident | 89.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | G484 T485 N486 K490 I491 Y492 | G484-G488 PolarHBondContact O-N 3.28Å; T485-G488 PolarHBondContact O-N 2.87Å; N486-G488 VanDerWaalsContact C-N 3.34Å; G488-K490 PolarHBondContact O-N 3.37Å; G488-I491 PolarHBondContact O-N 3.2Å; G488-Y492 PolarHBondContact O-N 3.43Å |
| 489 | G | 84.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T485 I491 Y492 D493 | T485-G489 PolarHBondContact O-N 3.07Å; G489-I491 VanDerWaalsContact C-N 3.31Å; G489-I491 PolarHBondContact O-N 3.01Å; G489-Y492 WeakPolarHBondContact O-CB 3.31Å; G489-Y492 PolarHBondContact O-N 3.12Å; G489-Y492 VanDerWaalsContact O-N 3.14Å; G489-D493 PolarHBondContact O-N 3.45Å; G489-D493 VanDerWaalsContact O-N 3.11Å |
| 490 | K | 87.2 | Confident | 89.5 | Confident | 142 Ų | 142 | 53.1 Ų | 53.1 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.3 | -32.8 | 178.3 | -170.8 | 173.4 | -175.6 | 175.9 | 0 | 113.3 | N486 I487 G488 Y492 D493 T494 | N486-K490 WeakPolarHBondContact O-CB 3.49Å; N486-K490 PolarHBondContact O-N 3.38Å; I487-K490 PolarHBondContact O-N 2.8Å; G488-K490 PolarHBondContact O-N 3.37Å; K490-Y492 VanDerWaalsContact C-N 3.31Å; K490-D493 PolarHBondContact O-N 2.77Å; K490-T494 WeakPolarHBondContact O-CG2 3.38Å; K490-T494 PolarHBondContact O-N 2.75Å; K490-T494 VanDerWaalsContact O-N 3.16Å; K490-T494 PolarHBondContact O-OG1 3.37Å |
| 491 | I | 90.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.5 | -72.4 | 163.4 | 0 | 0 | 0 | 110.3 | I487 G488 G489 T494 R495 M500 A501 I504 | I487-I491 HydrophobicContact CG2-CD1 3.75Å; I487-I491 HydrophobicContact CG2-CG1 4.39Å; I487-I491 WeakPolarHBondContact O-CD1 3.31Å; I487-I491 VanDerWaalsContact O-CG1 3.24Å; I487-I491 WeakPolarHBondContact O-CG1 3.42Å; I487-I491 PolarHBondContact O-N 3.29Å; G488-I491 PolarHBondContact O-N 3.2Å; G489-I491 VanDerWaalsContact C-N 3.31Å; G489-I491 PolarHBondContact O-N 3.01Å; I491-T494 PolarHBondContact O-N 3.24Å; I491-T494 PolarHBondContact O-OG1 3.48Å; I491-T494 VanDerWaalsContact O-OG1 3.12Å; I491-R495 WeakPolarHBondContact O-CB 3.42Å; I491-R495 PolarHBondContact O-N 3.47Å; I491-M500 HydrophobicContact CG2-CB 3.83Å; I491-A501 HydrophobicContact CB-CB 4.43Å; I491-A501 HydrophobicContact CD1-CB 4.04Å; I491-A501 HydrophobicContact CG2-CB 4.32Å; I491-I504 HydrophobicContact CD1-CD1 3.61Å |
| 492 | Y | 86 | Confident | 89.7 | Confident | 66 Ų | 66 | 51.1 Ų | 51.1 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 175.3 | 177.6 | -98.9 | 0 | 0 | 0 | 111.7 | T304 G488 G489 K490 T494 R495 G496 Y498 | T304-Y492 HydrophobicContact CG2-CE2 3.77Å; G488-Y492 PolarHBondContact O-N 3.43Å; G489-Y492 WeakPolarHBondContact O-CB 3.31Å; G489-Y492 PolarHBondContact O-N 3.12Å; G489-Y492 VanDerWaalsContact O-N 3.14Å; K490-Y492 VanDerWaalsContact C-N 3.31Å; Y492-T494 PolarHBondContact O-N 3.15Å; Y492-T494 VanDerWaalsContact O-N 3.15Å; Y492-R495 PolarHBondContact O-N 2.9Å; Y492-G496 VanDerWaalsContact O-CA 3.29Å; Y492-G496 WeakPolarHBondContact O-CA 3.32Å; Y492-G496 PolarHBondContact O-N 3.42Å; Y492-Y498 VanDerWaalsContact CB-CE1 3.46Å; Y492-Y498 HydrophobicContact CD1-CE2 4.38Å; Y492-Y498 HydrophobicContact CD2-CD1 4.44Å; Y492-Y498 AromaticContact CD2-CD2 3.54Å; Y492-Y498 HydrophobicContact CD2-CD2 3.54Å; Y492-Y498 HydrophobicContact CD2-CE1 4.17Å; Y492-Y498 AromaticContact CD2-CE2 3.19Å; Y492-Y498 HydrophobicContact CD2-CE2 3.19Å; Y492-Y498 HydrophobicContact CD2-CG 4.16Å; Y492-Y498 AromaticContact CD2-CZ 3.56Å; Y492-Y498 HydrophobicContact CE2-CD2 4.07Å; Y492-Y498 AromaticContact CE2-CE2 3.61Å; Y492-Y498 HydrophobicContact CE2-CE2 3.61Å; Y492-Y498 HydrophobicContact CG-CD1 4.5Å; Y492-Y498 HydrophobicContact CG-CD2 4.26Å; Y492-Y498 AromaticContact CG-CE1 3.91Å; Y492-Y498 HydrophobicContact CG-CE1 3.91Å; Y492-Y498 AromaticContact CG-CE2 3.63Å; Y492-Y498 HydrophobicContact CG-CE2 3.63Å; Y492-Y498 AromaticContact CG-CZ 3.44Å; Y492-Y498 VanDerWaalsContact CG-CZ 3.44Å |
| 493 | D | 84.3 | Confident | 90.1 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -32.5 | -179.8 | -67.9 | -6.2 | 0 | 0 | 0 | 113.3 | S8 V9 G489 K490 | S8-D493 WeakPolarHBondContact CB-OD1 3.3Å; S8-D493 VanDerWaalsContact OG-CG 3.31Å; S8-D493 PolarHBondContact OG-OD1 3.03Å; S8-D493 PolarHBondContact OG-OD2 2.87Å; V9-D493 WeakPolarHBondContact CG2-OD2 3.44Å; G489-D493 PolarHBondContact O-N 3.45Å; G489-D493 VanDerWaalsContact O-N 3.11Å; K490-D493 PolarHBondContact O-N 2.77Å |
| 494 | T | 89.2 | Confident | 90.4 | Very high | 102 Ų | 102 | 52 Ų | 52 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -87.8 | -26.7 | -178.1 | 52.6 | 0 | 0 | 0 | 0 | 114 | K490 I491 Y492 | K490-T494 WeakPolarHBondContact O-CG2 3.38Å; K490-T494 PolarHBondContact O-N 2.75Å; K490-T494 VanDerWaalsContact O-N 3.16Å; K490-T494 PolarHBondContact O-OG1 3.37Å; I491-T494 PolarHBondContact O-N 3.24Å; I491-T494 PolarHBondContact O-OG1 3.48Å; I491-T494 VanDerWaalsContact O-OG1 3.12Å; Y492-T494 PolarHBondContact O-N 3.15Å; Y492-T494 VanDerWaalsContact O-N 3.15Å |
| 495 | R | 90.8 | Very high | 90.7 | Very high | 172 Ų | 172 | 51.9 Ų | 51.9 | 65% | 0.649 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -121.3 | -11.1 | -173.3 | -66.3 | -172.6 | 173.7 | -117.3 | 1.6 | 115.1 | I491 Y492 S497 | I491-R495 WeakPolarHBondContact O-CB 3.42Å; I491-R495 PolarHBondContact O-N 3.47Å; Y492-R495 PolarHBondContact O-N 2.9Å; R495-S497 PolarHBondContact O-N 3.28Å |
| 496 | G | 87.2 | Confident | 91.2 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 46% | 0.464 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 68.7 | 12.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y492 | Y492-G496 VanDerWaalsContact O-CA 3.29Å; Y492-G496 WeakPolarHBondContact O-CA 3.32Å; Y492-G496 PolarHBondContact O-N 3.42Å |
| 497 | S | 90 | Very high | 91.7 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | trans | -149 | 140.3 | -178.2 | 175.5 | 0 | 0 | 0 | 0 | 112.7 | R495 Q499 | R495-S497 PolarHBondContact O-N 3.28Å; S497-Q499 VanDerWaalsContact C-N 3.33Å; S497-Q499 WeakPolarHBondContact OG-CB 3.38Å; S497-Q499 PolarHBondContact OG-N 3.47Å | ||
| 498 | Y | 92.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 7% | 0.071 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -82.4 | -4.8 | 175.5 | -69.2 | -76 | 0 | 0 | 0 | 114.1 | F297 D300 H301 Y492 M500 A501 L502 | F297-Y498 HydrophobicContact CB-CD1 3.76Å; F297-Y498 HydrophobicContact CB-CE1 4.07Å; F297-Y498 HydrophobicContact CB-CG 4.19Å; F297-Y498 AromaticContact CD1-CD1 3.83Å; F297-Y498 HydrophobicContact CD1-CD1 3.83Å; F297-Y498 AromaticContact CD1-CE1 3.25Å; F297-Y498 HydrophobicContact CD1-CE1 3.25Å; F297-Y498 AromaticContact CD1-CZ 3.82Å; F297-Y498 HydrophobicContact CD2-CD1 4.45Å; F297-Y498 HydrophobicContact CD2-CE1 4.5Å; F297-Y498 AromaticContact CE1-CE1 3.72Å; F297-Y498 HydrophobicContact CE1-CE1 3.72Å; F297-Y498 AromaticContact CG-CD1 3.77Å; F297-Y498 HydrophobicContact CG-CD1 3.77Å; F297-Y498 AromaticContact CG-CE1 3.7Å; F297-Y498 HydrophobicContact CG-CE1 3.7Å; D300-Y498 HydrophobicContact CB-CD2 4.04Å; D300-Y498 HydrophobicContact CB-CE2 3.5Å; D300-Y498 VanDerWaalsContact CB-CE2 3.5Å; H301-Y498 HydrophobicContact CB-CD2 4.43Å; H301-Y498 HydrophobicContact CB-CG 4.42Å; Y492-Y498 VanDerWaalsContact CB-CE1 3.46Å; Y492-Y498 HydrophobicContact CD1-CE2 4.38Å; Y492-Y498 HydrophobicContact CD2-CD1 4.44Å; Y492-Y498 AromaticContact CD2-CD2 3.54Å; Y492-Y498 HydrophobicContact CD2-CD2 3.54Å; Y492-Y498 HydrophobicContact CD2-CE1 4.17Å; Y492-Y498 AromaticContact CD2-CE2 3.19Å; Y492-Y498 HydrophobicContact CD2-CE2 3.19Å; Y492-Y498 HydrophobicContact CD2-CG 4.16Å; Y492-Y498 AromaticContact CD2-CZ 3.56Å; Y492-Y498 HydrophobicContact CE2-CD2 4.07Å; Y492-Y498 AromaticContact CE2-CE2 3.61Å; Y492-Y498 HydrophobicContact CE2-CE2 3.61Å; Y492-Y498 HydrophobicContact CG-CD1 4.5Å; Y492-Y498 HydrophobicContact CG-CD2 4.26Å; Y492-Y498 AromaticContact CG-CE1 3.91Å; Y492-Y498 HydrophobicContact CG-CE1 3.91Å; Y492-Y498 AromaticContact CG-CE2 3.63Å; Y492-Y498 HydrophobicContact CG-CE2 3.63Å; Y492-Y498 AromaticContact CG-CZ 3.44Å; Y492-Y498 VanDerWaalsContact CG-CZ 3.44Å; Y498-M500 VanDerWaalsContact C-N 3.3Å; Y498-M500 PolarHBondContact O-N 2.9Å; Y498-A501 WeakPolarHBondContact O-CB 3.44Å; Y498-A501 PolarHBondContact O-N 3Å; Y498-L502 PolarHBondContact O-N 3.28Å; Y498-L502 VanDerWaalsContact O-N 3.07Å |
| 499 | Q | 94.8 | Very high | 92.6 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 24% | 0.243 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57 | -43.4 | -176.1 | -168.7 | -178 | 11.8 | 0 | 0 | 112.3 | A410 S497 A501 L502 L503 | A410-Q499 VanDerWaalsContact O-CG 3.26Å; A410-Q499 WeakPolarHBondContact O-CG 3.4Å; A410-Q499 PolarHBondContact O-NE2 3.33Å; S497-Q499 VanDerWaalsContact C-N 3.33Å; S497-Q499 WeakPolarHBondContact OG-CB 3.38Å; S497-Q499 PolarHBondContact OG-N 3.47Å; Q499-A501 VanDerWaalsContact C-N 3.32Å; Q499-A501 PolarHBondContact O-N 3.14Å; Q499-L502 PolarHBondContact O-N 3.29Å; Q499-L503 WeakPolarHBondContact O-CG 3.44Å; Q499-L503 PolarHBondContact O-N 3.4Å |
| 500 | M | 94.3 | Very high | 93.2 | Very high | 81 Ų | 81 | 55 Ų | 55 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.2 | -31.8 | 177.4 | -75.2 | -67.2 | 176.3 | 0 | 0 | 112.7 | I491 Y498 L503 I504 | I491-M500 HydrophobicContact CG2-CB 3.83Å; Y498-M500 VanDerWaalsContact C-N 3.3Å; Y498-M500 PolarHBondContact O-N 2.9Å; M500-L503 HydrophobicContact CE-CD1 4.5Å; M500-L503 PolarHBondContact O-N 3.4Å; M500-L503 HydrophobicContact SD-CD1 3.87Å; M500-I504 VanDerWaalsContact O-CG1 3.3Å; M500-I504 WeakPolarHBondContact O-CG1 3.44Å; M500-I504 PolarHBondContact O-N 3.21Å |
| 501 | A | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I293 I491 Y498 Q499 I504 A505 | I293-A501 HydrophobicContact CG2-CB 3.96Å; I491-A501 HydrophobicContact CB-CB 4.43Å; I491-A501 HydrophobicContact CD1-CB 4.04Å; I491-A501 HydrophobicContact CG2-CB 4.32Å; Y498-A501 WeakPolarHBondContact O-CB 3.44Å; Y498-A501 PolarHBondContact O-N 3Å; Q499-A501 VanDerWaalsContact C-N 3.32Å; Q499-A501 PolarHBondContact O-N 3.14Å; A501-I504 PolarHBondContact O-N 3.23Å; A501-A505 WeakPolarHBondContact O-CB 3.46Å; A501-A505 PolarHBondContact O-N 3.06Å |
| 502 | L | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 175.3 | -67.8 | 172.6 | 0 | 0 | 0 | 112.6 | I293 P294 H301 L409 A410 Y498 Q499 A505 A506 | I293-L502 HydrophobicContact CG2-CD2 4.24Å; P294-L502 HydrophobicContact CB-CD2 4.03Å; P294-L502 HydrophobicContact CG-CD2 3.83Å; H301-L502 HydrophobicContact CB-CD1 4.25Å; H301-L502 WeakPolarHBondContact CD2-CD1 3.4Å; L409-L502 HydrophobicContact CB-CD1 4.44Å; A410-L502 HydrophobicContact CB-CB 3.58Å; Y498-L502 PolarHBondContact O-N 3.28Å; Y498-L502 VanDerWaalsContact O-N 3.07Å; Q499-L502 PolarHBondContact O-N 3.29Å; L502-A505 WeakPolarHBondContact O-CB 3.47Å; L502-A505 PolarHBondContact O-N 2.94Å; L502-A506 PolarHBondContact O-N 3.32Å |
| 503 | L | 97.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 173.7 | -74.9 | 173.5 | 0 | 0 | 0 | 111.9 | L407 A410 L411 Q499 M500 A505 A506 F507 | L407-L503 HydrophobicContact CD1-CD2 3.7Å; A410-L503 HydrophobicContact CB-CD2 3.72Å; A410-L503 HydrophobicContact CB-CG 3.85Å; L411-L503 HydrophobicContact CD2-CD2 4.04Å; L411-L503 HydrophobicContact CG-CD2 4.44Å; Q499-L503 WeakPolarHBondContact O-CG 3.44Å; Q499-L503 PolarHBondContact O-N 3.4Å; M500-L503 HydrophobicContact CE-CD1 4.5Å; M500-L503 PolarHBondContact O-N 3.4Å; M500-L503 HydrophobicContact SD-CD1 3.87Å; L503-A505 VanDerWaalsContact C-N 3.31Å; L503-A505 PolarHBondContact O-N 3.18Å; L503-A506 PolarHBondContact O-N 3.21Å; L503-F507 PolarHBondContact O-N 3.46Å |
| 504 | I | 96.8 | Very high | 95.3 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 35% | 0.354 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 175.5 | -71.1 | 167.3 | 0 | 0 | 0 | 110.2 | I491 M500 A501 A506 F507 L508 | I491-I504 HydrophobicContact CD1-CD1 3.61Å; M500-I504 VanDerWaalsContact O-CG1 3.3Å; M500-I504 WeakPolarHBondContact O-CG1 3.44Å; M500-I504 PolarHBondContact O-N 3.21Å; A501-I504 PolarHBondContact O-N 3.23Å; I504-A506 PolarHBondContact O-N 3.3Å; I504-F507 PolarHBondContact O-N 3.3Å; I504-F507 VanDerWaalsContact O-N 3.17Å; I504-L508 HydrophobicContact CG2-CD1 3.98Å; I504-L508 HydrophobicContact CG2-CG 4.19Å; I504-L508 VanDerWaalsContact O-CG 3.31Å; I504-L508 WeakPolarHBondContact O-CG 3.46Å; I504-L508 PolarHBondContact O-N 3.04Å |
| 505 | A | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G290 I293 P294 T406 A501 L502 L503 F507 L508 S509 | G290-A505 WeakPolarHBondContact O-CB 3.24Å; I293-A505 HydrophobicContact CB-CB 3.91Å; I293-A505 HydrophobicContact CD1-CB 3.98Å; I293-A505 HydrophobicContact CG2-CB 4.1Å; P294-A505 HydrophobicContact CG-CB 4.46Å; T406-A505 HydrophobicContact CG2-CB 3.75Å; A501-A505 WeakPolarHBondContact O-CB 3.46Å; A501-A505 PolarHBondContact O-N 3.06Å; L502-A505 WeakPolarHBondContact O-CB 3.47Å; L502-A505 PolarHBondContact O-N 2.94Å; L503-A505 VanDerWaalsContact C-N 3.31Å; L503-A505 PolarHBondContact O-N 3.18Å; A505-F507 VanDerWaalsContact C-N 3.32Å; A505-F507 PolarHBondContact O-N 3.25Å; A505-L508 PolarHBondContact O-N 3.15Å; A505-S509 PolarHBondContact O-N 3.4Å |
| 506 | A | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S403 T406 L407 L502 L503 I504 L510 | S403-A506 WeakPolarHBondContact CB-O 3.38Å; S403-A506 PolarHBondContact OG-O 3.4Å; T406-A506 HydrophobicContact CG2-CB 4.01Å; L407-A506 HydrophobicContact CB-CB 3.81Å; L407-A506 HydrophobicContact CD1-CB 4.28Å; L502-A506 PolarHBondContact O-N 3.32Å; L503-A506 PolarHBondContact O-N 3.21Å; I504-A506 PolarHBondContact O-N 3.3Å; A506-L510 PolarHBondContact O-N 3.11Å |
| 507 | F | 98 | Very high | 96.4 | Very high | 125 Ų | 125 | 39 Ų | 39 | 55% | 0.548 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.1 | -38.5 | 177.6 | -179.7 | -96.7 | 0 | 0 | 0 | 112.3 | L503 I504 A505 S509 L510 F511 | L503-F507 PolarHBondContact O-N 3.46Å; I504-F507 PolarHBondContact O-N 3.3Å; I504-F507 VanDerWaalsContact O-N 3.17Å; A505-F507 VanDerWaalsContact C-N 3.32Å; A505-F507 PolarHBondContact O-N 3.25Å; F507-S509 PolarHBondContact O-N 3.37Å; F507-L510 PolarHBondContact O-N 3.04Å; F507-F511 HydrophobicContact CE1-CB 4.26Å; F507-F511 VanDerWaalsContact O-CB 3.28Å; F507-F511 WeakPolarHBondContact O-CB 3.3Å; F507-F511 PolarHBondContact O-N 3.45Å |
| 508 | L | 97.7 | Very high | 96.7 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 19% | 0.188 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 177.8 | -73.2 | 170.8 | 0 | 0 | 0 | 111.6 | I286 A289 I504 A505 L510 F511 A512 | I286-L508 HydrophobicContact CG2-CB 4.13Å; I286-L508 HydrophobicContact CG2-CD2 3.9Å; I286-L508 VanDerWaalsContact CG2-O 3.32Å; I286-L508 WeakPolarHBondContact CG2-O 3.42Å; A289-L508 HydrophobicContact CB-CD1 4.04Å; I504-L508 HydrophobicContact CG2-CD1 3.98Å; I504-L508 HydrophobicContact CG2-CG 4.19Å; I504-L508 VanDerWaalsContact O-CG 3.31Å; I504-L508 WeakPolarHBondContact O-CG 3.46Å; I504-L508 PolarHBondContact O-N 3.04Å; A505-L508 PolarHBondContact O-N 3.15Å; L508-L510 PolarHBondContact O-N 3.34Å; L508-F511 PolarHBondContact O-N 3.18Å; L508-A512 WeakPolarHBondContact O-CB 3.34Å; L508-A512 PolarHBondContact O-N 3.03Å |
| 509 | S | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | 175.9 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | N402 A505 F507 F513 | N402-S509 WeakPolarHBondContact OD1-CB 3.42Å; N402-S509 PolarHBondContact OD1-OG 3.34Å; A505-S509 PolarHBondContact O-N 3.4Å; F507-S509 PolarHBondContact O-N 3.37Å; S509-F513 PolarHBondContact O-N 2.8Å; S509-F513 VanDerWaalsContact O-N 3.11Å |
| 510 | L | 98.2 | Very high | 96.7 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 31% | 0.314 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 174.1 | -175.7 | 62 | 0 | 0 | 0 | 111.9 | L400 A506 F507 L508 F513 L514 | L400-L510 HydrophobicContact CD2-CD1 4Å; A506-L510 PolarHBondContact O-N 3.11Å; F507-L510 PolarHBondContact O-N 3.04Å; L508-L510 PolarHBondContact O-N 3.34Å; L510-F513 HydrophobicContact CD1-CD1 4.38Å; L510-F513 WeakPolarHBondContact O-CB 3.24Å; L510-F513 PolarHBondContact O-N 3.21Å; L510-L514 HydrophobicContact CG-CD1 4.33Å; L510-L514 WeakPolarHBondContact O-CG 3.45Å; L510-L514 PolarHBondContact O-N 2.98Å |
| 511 | F | 98.2 | Very high | 96.7 | Very high | 84 Ų | 84 | 42.8 Ų | 42.8 | 37% | 0.368 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 178 | -177.6 | -114.1 | 0 | 0 | 0 | 111 | I286 F507 L508 F513 L514 L515 | I286-F511 HydrophobicContact CD1-CD1 3.99Å; I286-F511 HydrophobicContact CD1-CE1 3.89Å; I286-F511 HydrophobicContact CG2-CD1 4.01Å; F507-F511 HydrophobicContact CE1-CB 4.26Å; F507-F511 VanDerWaalsContact O-CB 3.28Å; F507-F511 WeakPolarHBondContact O-CB 3.3Å; F507-F511 PolarHBondContact O-N 3.45Å; L508-F511 PolarHBondContact O-N 3.18Å; F511-F513 VanDerWaalsContact C-N 3.31Å; F511-F513 PolarHBondContact O-N 3.05Å; F511-L514 PolarHBondContact O-N 3.4Å; F511-L515 HydrophobicContact CD1-CD1 3.82Å; F511-L515 HydrophobicContact CD1-CG 4.3Å; F511-L515 HydrophobicContact CE1-CD1 3.47Å; F511-L515 VanDerWaalsContact CE1-CD1 3.47Å; F511-L515 HydrophobicContact CE1-CD2 4.33Å; F511-L515 HydrophobicContact CE1-CG 4Å; F511-L515 HydrophobicContact CE2-CD2 4.24Å; F511-L515 HydrophobicContact CE2-CG 4.23Å; F511-L515 HydrophobicContact CZ-CD1 3.89Å; F511-L515 HydrophobicContact CZ-CD2 3.87Å; F511-L515 HydrophobicContact CZ-CG 3.95Å; F511-L515 WeakPolarHBondContact O-CB 2.95Å; F511-L515 VanDerWaalsContact O-CG 3.3Å; F511-L515 WeakPolarHBondContact O-CG 3.03Å; F511-L515 PolarHBondContact O-N 3.34Å |
| 512 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.8 | -43.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A283 I286 A287 L399 L508 V516 | A283-A512 HydrophobicContact CB-CB 4.2Å; A283-A512 WeakPolarHBondContact O-CB 3.14Å; I286-A512 HydrophobicContact CB-CB 4.39Å; I286-A512 HydrophobicContact CG2-CB 4.18Å; A287-A512 HydrophobicContact CB-CB 4.04Å; L399-A512 HydrophobicContact CD1-CB 4.24Å; L399-A512 HydrophobicContact CD2-CB 4.28Å; L508-A512 WeakPolarHBondContact O-CB 3.34Å; L508-A512 PolarHBondContact O-N 3.03Å; A512-V516 WeakPolarHBondContact O-CG2 2.99Å; A512-V516 PolarHBondContact O-N 2.93Å |
| 513 | F | 98 | Very high | 96.5 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -51.3 | 174.4 | 166.5 | -92.2 | 0 | 0 | 0 | 111.6 | L396 L399 L400 S509 L510 F511 L515 V516 V517 | L396-F513 HydrophobicContact CB-CD2 3.97Å; L396-F513 HydrophobicContact CB-CE2 3.93Å; L396-F513 HydrophobicContact CD2-CD2 3.65Å; L396-F513 HydrophobicContact CD2-CE2 4.08Å; L396-F513 HydrophobicContact CD2-CG 4.47Å; L396-F513 HydrophobicContact CG-CD2 4.39Å; L396-F513 HydrophobicContact CG-CE2 4.48Å; L396-F513 WeakPolarHBondContact O-CD2 3.47Å; L399-F513 HydrophobicContact CB-CB 4.01Å; L399-F513 HydrophobicContact CD1-CB 4.21Å; L400-F513 HydrophobicContact CD1-CD2 4.06Å; L400-F513 HydrophobicContact CD1-CE1 4.35Å; L400-F513 HydrophobicContact CD1-CE2 3.48Å; L400-F513 VanDerWaalsContact CD1-CE2 3.48Å; L400-F513 HydrophobicContact CD1-CZ 3.65Å; L400-F513 HydrophobicContact CD2-CD1 3.75Å; L400-F513 HydrophobicContact CD2-CD2 3.98Å; L400-F513 HydrophobicContact CD2-CE1 3.84Å; L400-F513 HydrophobicContact CD2-CE2 4.05Å; L400-F513 HydrophobicContact CD2-CG 3.83Å; L400-F513 HydrophobicContact CD2-CZ 3.99Å; L400-F513 HydrophobicContact CG-CD1 4.3Å; L400-F513 HydrophobicContact CG-CD2 3.6Å; L400-F513 HydrophobicContact CG-CE1 4.3Å; L400-F513 HydrophobicContact CG-CE2 3.58Å; L400-F513 HydrophobicContact CG-CG 3.98Å; L400-F513 HydrophobicContact CG-CZ 3.96Å; S509-F513 PolarHBondContact O-N 2.8Å; S509-F513 VanDerWaalsContact O-N 3.11Å; L510-F513 HydrophobicContact CD1-CD1 4.38Å; L510-F513 WeakPolarHBondContact O-CB 3.24Å; L510-F513 PolarHBondContact O-N 3.21Å; F511-F513 VanDerWaalsContact C-N 3.31Å; F511-F513 PolarHBondContact O-N 3.05Å; F513-L515 VanDerWaalsContact C-N 3.32Å; F513-L515 PolarHBondContact O-N 2.95Å; F513-V516 PolarHBondContact O-N 3.07Å; F513-V517 HydrophobicContact CD1-CG2 4.31Å; F513-V517 HydrophobicContact CD2-CG2 4.18Å; F513-V517 HydrophobicContact CE1-CG2 3.89Å; F513-V517 HydrophobicContact CE2-CG2 3.77Å; F513-V517 HydrophobicContact CG-CG2 4.44Å; F513-V517 HydrophobicContact CZ-CG2 3.6Å; F513-V517 WeakPolarHBondContact O-CG2 3.38Å; F513-V517 PolarHBondContact O-N 3.39Å |
| 514 | L | 97.9 | Very high | 96.2 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | -178.7 | -69.9 | 174.6 | 0 | 0 | 0 | 112 | L510 F511 V516 V517 M518 | L510-L514 HydrophobicContact CG-CD1 4.33Å; L510-L514 WeakPolarHBondContact O-CG 3.45Å; L510-L514 PolarHBondContact O-N 2.98Å; F511-L514 PolarHBondContact O-N 3.4Å; L514-V516 PolarHBondContact O-N 3Å; L514-V517 PolarHBondContact O-N 3.44Å; L514-M518 WeakPolarHBondContact O-CB 3.45Å; L514-M518 PolarHBondContact O-N 3.49Å |
| 515 | L | 97.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 176.8 | -77.4 | 176 | 0 | 0 | 0 | 112.1 | I286 F511 F513 K519 | I286-L515 HydrophobicContact CD1-CD1 3.5Å; F511-L515 HydrophobicContact CD1-CD1 3.82Å; F511-L515 HydrophobicContact CD1-CG 4.3Å; F511-L515 HydrophobicContact CE1-CD1 3.47Å; F511-L515 VanDerWaalsContact CE1-CD1 3.47Å; F511-L515 HydrophobicContact CE1-CD2 4.33Å; F511-L515 HydrophobicContact CE1-CG 4Å; F511-L515 HydrophobicContact CE2-CD2 4.24Å; F511-L515 HydrophobicContact CE2-CG 4.23Å; F511-L515 HydrophobicContact CZ-CD1 3.89Å; F511-L515 HydrophobicContact CZ-CD2 3.87Å; F511-L515 HydrophobicContact CZ-CG 3.95Å; F511-L515 WeakPolarHBondContact O-CB 2.95Å; F511-L515 VanDerWaalsContact O-CG 3.3Å; F511-L515 WeakPolarHBondContact O-CG 3.03Å; F511-L515 PolarHBondContact O-N 3.34Å; F513-L515 VanDerWaalsContact C-N 3.32Å; F513-L515 PolarHBondContact O-N 2.95Å; L515-K519 WeakPolarHBondContact O-CB 3.42Å; L515-K519 PolarHBondContact O-N 3.38Å; L515-K519 VanDerWaalsContact O-N 3.1Å |
| 516 | V | 96.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.3 | -43.4 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | A283 L392 F395 L396 A512 F513 L514 M518 K519 E520 | A283-V516 HydrophobicContact CB-CG2 3.43Å; A283-V516 VanDerWaalsContact CB-CG2 3.43Å; L392-V516 HydrophobicContact CD1-CG1 3.84Å; F395-V516 HydrophobicContact CE1-CG2 4.43Å; L396-V516 HydrophobicContact CD2-CB 3.82Å; L396-V516 HydrophobicContact CD2-CG1 3.74Å; L396-V516 HydrophobicContact CG-CG1 4.41Å; A512-V516 WeakPolarHBondContact O-CG2 2.99Å; A512-V516 PolarHBondContact O-N 2.93Å; F513-V516 PolarHBondContact O-N 3.07Å; L514-V516 PolarHBondContact O-N 3Å; V516-M518 VanDerWaalsContact C-N 3.35Å; V516-M518 PolarHBondContact O-N 3.23Å; V516-K519 WeakPolarHBondContact O-CB 3.15Å; V516-K519 PolarHBondContact O-N 2.91Å; V516-E520 PolarHBondContact O-N 3.32Å |
| 517 | V | 96.4 | Very high | 95.4 | Very high | 40 Ų | 40 | 67 Ų | 67 | 24% | 0.242 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L396 F513 L514 K519 E520 I521 | L396-V517 HydrophobicContact CD1-CG2 4.16Å; L396-V517 HydrophobicContact CD2-CG2 4.03Å; F513-V517 HydrophobicContact CD1-CG2 4.31Å; F513-V517 HydrophobicContact CD2-CG2 4.18Å; F513-V517 HydrophobicContact CE1-CG2 3.89Å; F513-V517 HydrophobicContact CE2-CG2 3.77Å; F513-V517 HydrophobicContact CG-CG2 4.44Å; F513-V517 HydrophobicContact CZ-CG2 3.6Å; F513-V517 WeakPolarHBondContact O-CG2 3.38Å; F513-V517 PolarHBondContact O-N 3.39Å; L514-V517 PolarHBondContact O-N 3.44Å; V517-K519 VanDerWaalsContact C-N 3.3Å; V517-K519 PolarHBondContact O-N 3.18Å; V517-E520 PolarHBondContact O-N 3.2Å; V517-E520 VanDerWaalsContact O-N 3.13Å; V517-I521 HydrophobicContact CG1-CD1 3.69Å; V517-I521 HydrophobicContact CG1-CG1 4.31Å; V517-I521 WeakPolarHBondContact O-CG1 3.35Å; V517-I521 PolarHBondContact O-N 2.65Å |
| 518 | M | 96 | Very high | 95 | Very high | 126 Ų | 126 | 68.5 Ų | 68.5 | 62% | 0.621 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.8 | -39.3 | 179.8 | -159.9 | -179 | 76.3 | 0 | 0 | 111.2 | L514 V516 I521 F522 | L514-M518 WeakPolarHBondContact O-CB 3.45Å; L514-M518 PolarHBondContact O-N 3.49Å; V516-M518 VanDerWaalsContact C-N 3.35Å; V516-M518 PolarHBondContact O-N 3.23Å; M518-I521 PolarHBondContact O-N 3.49Å; M518-F522 WeakPolarHBondContact O-CB 3.04Å; M518-F522 PolarHBondContact O-N 3.47Å |
| 519 | K | 94.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 172.6 | 174.1 | -90.2 | 178.1 | -164.6 | 0 | 112.3 | N276 F279 L515 V516 V517 T523 | N276-K519 WeakPolarHBondContact OD1-CE 3.5Å; N276-K519 PolarHBondContact OD1-NZ 3.17Å; F279-K519 HydrophobicContact CB-CG 4.32Å; F279-K519 HydrophobicContact CD1-CB 3.67Å; F279-K519 HydrophobicContact CD1-CG 3.85Å; F279-K519 HydrophobicContact CD2-CG 3.99Å; F279-K519 HydrophobicContact CE1-CB 3.77Å; F279-K519 HydrophobicContact CE1-CG 4.1Å; F279-K519 HydrophobicContact CE2-CG 4.22Å; F279-K519 HydrophobicContact CG-CB 4.14Å; F279-K519 HydrophobicContact CG-CG 3.79Å; F279-K519 HydrophobicContact CZ-CB 4.31Å; F279-K519 HydrophobicContact CZ-CG 4.26Å; L515-K519 WeakPolarHBondContact O-CB 3.42Å; L515-K519 PolarHBondContact O-N 3.38Å; L515-K519 VanDerWaalsContact O-N 3.1Å; V516-K519 WeakPolarHBondContact O-CB 3.15Å; V516-K519 PolarHBondContact O-N 2.91Å; V517-K519 VanDerWaalsContact C-N 3.3Å; V517-K519 PolarHBondContact O-N 3.18Å; K519-T523 WeakPolarHBondContact O-CB 3.39Å; K519-T523 PolarHBondContact O-N 3.21Å; K519-T523 PolarHBondContact O-OG1 3.1Å |
| 520 | E | 93.5 | Very high | 94.1 | Very high | 37 Ų | 37 | 72.9 Ų | 72.9 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 178.2 | -70.6 | -53.6 | 138.9 | 0 | 0 | 111.7 | Y388 L392 V516 V517 F522 T523 W524 | Y388-E520 PolarHBondContact OH-OE1 2.81Å; L392-E520 HydrophobicContact CD2-CG 3.87Å; L392-E520 WeakPolarHBondContact CD2-OE1 3.47Å; V516-E520 PolarHBondContact O-N 3.32Å; V517-E520 PolarHBondContact O-N 3.2Å; V517-E520 VanDerWaalsContact O-N 3.13Å; E520-F522 PolarHBondContact O-N 2.81Å; E520-T523 PolarHBondContact O-N 2.95Å; E520-W524 WeakPolarHBondContact O-CB 3.39Å; E520-W524 PolarHBondContact O-N 3.15Å |
| 521 | I | 94.2 | Very high | 93.4 | Very high | 90 Ų | 90 | 75.9 Ų | 75.9 | 46% | 0.462 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 175.3 | -68.4 | 169.2 | 0 | 0 | 0 | 110.3 | V517 M518 T523 W524 L525 | V517-I521 HydrophobicContact CG1-CD1 3.69Å; V517-I521 HydrophobicContact CG1-CG1 4.31Å; V517-I521 WeakPolarHBondContact O-CG1 3.35Å; V517-I521 PolarHBondContact O-N 2.65Å; M518-I521 PolarHBondContact O-N 3.49Å; I521-T523 VanDerWaalsContact C-N 3.34Å; I521-T523 PolarHBondContact O-N 2.87Å; I521-W524 PolarHBondContact O-N 3.18Å; I521-L525 HydrophobicContact CG2-CD1 3.98Å; I521-L525 HydrophobicContact CG2-CG 4.36Å; I521-L525 WeakPolarHBondContact O-CG 3.47Å; I521-L525 PolarHBondContact O-N 3.45Å |
| 522 | F | 94.8 | Very high | 92.7 | Very high | 131 Ų | 131 | 74.8 Ų | 74.8 | 58% | 0.575 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.6 | -45.3 | 177.6 | -178.4 | -97.6 | 0 | 0 | 0 | 111.8 | M518 E520 W524 L525 M526 | M518-F522 WeakPolarHBondContact O-CB 3.04Å; M518-F522 PolarHBondContact O-N 3.47Å; E520-F522 PolarHBondContact O-N 2.81Å; F522-W524 VanDerWaalsContact C-N 3.3Å; F522-W524 PolarHBondContact O-N 3.32Å; F522-L525 PolarHBondContact O-N 3.22Å; F522-M526 HydrophobicContact CD1-CG 4.22Å; F522-M526 HydrophobicContact CE1-CG 3.79Å; F522-M526 HydrophobicContact CE2-CG 4.35Å; F522-M526 HydrophobicContact CZ-CG 3.86Å; F522-M526 HydrophobicContact CZ-SD 4.1Å; F522-M526 WeakPolarHBondContact O-CG 3.43Å; F522-M526 PolarHBondContact O-N 3.32Å |
| 523 | T | 92.2 | Very high | 91.8 | Very high | 40 Ų | 40 | 77.9 Ų | 77.9 | 25% | 0.245 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | K519 E520 I521 K527 | K519-T523 WeakPolarHBondContact O-CB 3.39Å; K519-T523 PolarHBondContact O-N 3.21Å; K519-T523 PolarHBondContact O-OG1 3.1Å; E520-T523 PolarHBondContact O-N 2.95Å; I521-T523 VanDerWaalsContact C-N 3.34Å; I521-T523 PolarHBondContact O-N 2.87Å; T523-K527 WeakPolarHBondContact O-CG 3.35Å; T523-K527 PolarHBondContact O-N 2.83Å; T523-K527 VanDerWaalsContact O-N 3.12Å |
| 524 | W | 90.6 | Very high | 91.1 | Very high | 146 Ų | 146 | 82.7 Ų | 82.7 | 55% | 0.553 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.9 | -44.9 | 176.7 | 177 | 84 | 0 | 0 | 0 | 112.3 | E520 I521 F522 M526 K527 R528 | E520-W524 WeakPolarHBondContact O-CB 3.39Å; E520-W524 PolarHBondContact O-N 3.15Å; I521-W524 PolarHBondContact O-N 3.18Å; F522-W524 VanDerWaalsContact C-N 3.3Å; F522-W524 PolarHBondContact O-N 3.32Å; W524-M526 PolarHBondContact O-N 3.19Å; W524-K527 PolarHBondContact O-N 2.84Å; W524-R528 PolarHBondContact O-N 3.15Å |
| 525 | L | 93.7 | Very high | 90 | Very high | 88 Ų | 88 | 82.8 Ų | 82.8 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.7 | -72.2 | 172.4 | 0 | 0 | 0 | 111.6 | I521 F522 R528 S529 | I521-L525 HydrophobicContact CG2-CD1 3.98Å; I521-L525 HydrophobicContact CG2-CG 4.36Å; I521-L525 WeakPolarHBondContact O-CG 3.47Å; I521-L525 PolarHBondContact O-N 3.45Å; F522-L525 PolarHBondContact O-N 3.22Å; L525-R528 PolarHBondContact O-N 3.27Å; L525-S529 PolarHBondContact O-N 3.45Å |
| 526 | M | 92 | Very high | 88.5 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 177.6 | -72.1 | -60.1 | -63.5 | 0 | 0 | 111.8 | F522 W524 R528 S529 T530 | F522-M526 HydrophobicContact CD1-CG 4.22Å; F522-M526 HydrophobicContact CE1-CG 3.79Å; F522-M526 HydrophobicContact CE2-CG 4.35Å; F522-M526 HydrophobicContact CZ-CG 3.86Å; F522-M526 HydrophobicContact CZ-SD 4.1Å; F522-M526 WeakPolarHBondContact O-CG 3.43Å; F522-M526 PolarHBondContact O-N 3.32Å; W524-M526 PolarHBondContact O-N 3.19Å; M526-R528 VanDerWaalsContact C-N 3.28Å; M526-R528 PolarHBondContact O-N 3.27Å; M526-S529 PolarHBondContact O-N 3.29Å; M526-S529 PolarHBondContact O-OG 2.86Å; M526-T530 PolarHBondContact O-N 2.9Å; M526-T530 PolarHBondContact O-OG1 2.88Å |
| 527 | K | 89.8 | Confident | 88.1 | Confident | 132 Ų | 132 | 94.4 Ų | 94.4 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.8 | -39.1 | 176.4 | -75.1 | 177.5 | -178.6 | 177.9 | 0 | 112.4 | T523 W524 T530 L531 | T523-K527 WeakPolarHBondContact O-CG 3.35Å; T523-K527 PolarHBondContact O-N 2.83Å; T523-K527 VanDerWaalsContact O-N 3.12Å; W524-K527 PolarHBondContact O-N 2.84Å; K527-T530 WeakPolarHBondContact CA-OG1 3.46Å; K527-T530 PolarHBondContact O-N 3.2Å; K527-T530 PolarHBondContact O-OG1 2.64Å; K527-L531 WeakPolarHBondContact O-CG 3.41Å; K527-L531 PolarHBondContact O-N 3.17Å; K527-L531 VanDerWaalsContact O-N 3.11Å |
| 528 | R | 88.1 | Confident | 87.6 | Confident | 156 Ų | 156 | 97.3 Ų | 97.3 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 177.1 | -171.6 | 176.3 | 177.8 | 179.3 | -1.4 | 111.4 | W524 L525 M526 T530 L531 S532 | W524-R528 PolarHBondContact O-N 3.15Å; L525-R528 PolarHBondContact O-N 3.27Å; M526-R528 VanDerWaalsContact C-N 3.28Å; M526-R528 PolarHBondContact O-N 3.27Å; R528-T530 VanDerWaalsContact C-N 3.35Å; R528-T530 PolarHBondContact O-N 3.33Å; R528-L531 PolarHBondContact O-N 3.32Å; R528-S532 PolarHBondContact O-N 3.28Å; R528-S532 PolarHBondContact O-OG 3.05Å |
| 529 | S | 89.2 | Confident | 87.2 | Confident | 54 Ų | 54 | 95.7 Ų | 95.7 | 38% | 0.378 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 178.2 | 71.5 | 0 | 0 | 0 | 0 | 113.2 | L525 M526 S532 A533 | L525-S529 PolarHBondContact O-N 3.45Å; M526-S529 PolarHBondContact O-N 3.29Å; M526-S529 PolarHBondContact O-OG 2.86Å; S529-S532 WeakPolarHBondContact CA-OG 3.5Å; S529-S532 PolarHBondContact O-OG 2.66Å; S529-A533 WeakPolarHBondContact O-CB 3.41Å; S529-A533 PolarHBondContact O-N 2.73Å |
| 530 | T | 86.7 | Confident | 86.7 | Confident | 73 Ų | 73 | 100.5 Ų | 100.5 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.6 | -32.8 | 176.2 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | M526 K527 R528 N534 | M526-T530 PolarHBondContact O-N 2.9Å; M526-T530 PolarHBondContact O-OG1 2.88Å; K527-T530 WeakPolarHBondContact CA-OG1 3.46Å; K527-T530 PolarHBondContact O-N 3.2Å; K527-T530 PolarHBondContact O-OG1 2.64Å; R528-T530 VanDerWaalsContact C-N 3.35Å; R528-T530 PolarHBondContact O-N 3.33Å; T530-N534 PolarHBondContact O-N 3.19Å |
| 531 | L | 84.4 | Confident | 86.3 | Confident | 124 Ų | 124 | 104.4 Ų | 104.4 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.9 | -41.2 | 176.6 | -76 | 167.2 | 0 | 0 | 0 | 111.5 | K527 R528 A533 N534 S535 | K527-L531 WeakPolarHBondContact O-CG 3.41Å; K527-L531 PolarHBondContact O-N 3.17Å; K527-L531 VanDerWaalsContact O-N 3.11Å; R528-L531 PolarHBondContact O-N 3.32Å; L531-A533 VanDerWaalsContact C-N 3.33Å; L531-N534 PolarHBondContact O-N 2.95Å; L531-S535 PolarHBondContact O-N 3.36Å; L531-S535 PolarHBondContact O-OG 3.46Å |
| 532 | S | 82.7 | Confident | 85.8 | Confident | 61 Ų | 61 | 105.4 Ų | 105.4 | 43% | 0.427 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.9 | -37.7 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | R528 S529 N534 S535 D536 | R528-S532 PolarHBondContact O-N 3.28Å; R528-S532 PolarHBondContact O-OG 3.05Å; S529-S532 WeakPolarHBondContact CA-OG 3.5Å; S529-S532 PolarHBondContact O-OG 2.66Å; S532-N534 VanDerWaalsContact C-N 3.28Å; S532-N534 PolarHBondContact O-N 2.85Å; S532-S535 WeakPolarHBondContact CA-OG 3.35Å; S532-S535 PolarHBondContact O-N 3.35Å; S532-S535 PolarHBondContact O-OG 2.85Å; S532-D536 PolarHBondContact O-N 2.94Å |
| 533 | A | 80.5 | Confident | 85.1 | Confident | 64 Ų | 64 | 103.6 Ų | 103.6 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70 | -21.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S529 L531 | S529-A533 WeakPolarHBondContact O-CB 3.41Å; S529-A533 PolarHBondContact O-N 2.73Å; L531-A533 VanDerWaalsContact C-N 3.33Å |
| 534 | N | 81.4 | Confident | 84.6 | Confident | 137 Ų | 137 | 108.5 Ų | 108.5 | 73% | 0.733 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -93.5 | -10.6 | 176.5 | -72.6 | -10.1 | 0 | 0 | 0 | 113 | T530 L531 S532 | T530-N534 PolarHBondContact O-N 3.19Å; L531-N534 PolarHBondContact O-N 2.95Å; S532-N534 VanDerWaalsContact C-N 3.28Å; S532-N534 PolarHBondContact O-N 2.85Å |
| 535 | S | 76.1 | Confident | 84.1 | Confident | 92 Ų | 92 | 105.3 Ų | 105.3 | 64% | 0.643 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -91.4 | -20.2 | 177.4 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | L531 S532 | L531-S535 PolarHBondContact O-N 3.36Å; L531-S535 PolarHBondContact O-OG 3.46Å; S532-S535 WeakPolarHBondContact CA-OG 3.35Å; S532-S535 PolarHBondContact O-N 3.35Å; S532-S535 PolarHBondContact O-OG 2.85Å |
| 536 | D | 64.7 | Low | 83.2 | Confident | 189 Ų | 189 | 106.9 Ų | 106.9 | 100% | 1.011 | 59% | 0.586 | S | S | * | * | trans | -88 | 0 | 169.3 | -62.3 | -20.8 | 0 | 0 | 0 | 109.8 | S532 | S532-D536 PolarHBondContact O-N 2.94Š|
Retrieved 536 of 536 residues in 1130.9 ms
(Link to these results)