| 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 | 33.6 | Very low | 42.5 | Very low | 251 Ų | 251 | 109.2 Ų | 109.2 | 100% | 1.236 | 64% | 0.644 | S | S | * | * | 0 | 100.3 | 0 | -70.2 | 179.5 | -177.7 | 0 | 0 | 107 | |||||
| 2 | A | 32.3 | Very low | 43.1 | Very low | 94 Ų | 94 | 102.2 Ų | 102.2 | 78% | 0.777 | 60% | 0.604 | S | S | * | * | trans | -92.8 | 127.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | N4 | A2-N4 PolarHBondContact O-N 3.47Š| ||
| 3 | S | 34.8 | Very low | 44 | Very low | 99 Ų | 99 | 100.4 Ų | 100.4 | 69% | 0.692 | 60% | 0.6 | S | S | * | * | trans | -78.1 | 111.4 | -172.4 | -161.1 | 0 | 0 | 0 | 0 | 110.5 | T5 | S3-T5 PolarHBondContact O-N 3.46Å; S3-T5 VanDerWaalsContact O-N 3.08Å; S3-T5 PolarHBondContact OG-OG1 2.93Å | ||
| 4 | N | 41.7 | Very low | 45 | Very low | 162 Ų | 162 | 95.8 Ų | 95.8 | 87% | 0.866 | 58% | 0.583 | S | S | * | * | trans | -78.2 | 33.4 | 177.8 | -79.4 | -4 | 0 | 0 | 0 | 113.8 | A2 | A2-N4 PolarHBondContact O-N 3.47Š| ||
| 5 | T | 41.8 | Very low | 45.4 | Very low | 108 Ų | 108 | 97.7 Ų | 97.7 | 66% | 0.663 | 60% | 0.595 | S | S | * | * | trans | -111.5 | 14 | -166.1 | 39.7 | 0 | 0 | 0 | 0 | 116.3 | S3 | S3-T5 PolarHBondContact O-N 3.46Å; S3-T5 VanDerWaalsContact O-N 3.08Å; S3-T5 PolarHBondContact OG-OG1 2.93Å | ||
| 6 | V | 43.8 | Very low | 46 | Very low | 127 Ų | 127 | 93 Ų | 93 | 77% | 0.77 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -128.6 | 42.1 | -173.1 | -162.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 7 | T | 44.9 | Very low | 46.6 | Very low | 97 Ų | 97 | 87.6 Ų | 87.6 | 60% | 0.595 | 54% | 0.539 | S | S | * | . | trans | -146.6 | 31.1 | 173.5 | -8.5 | 0 | 0 | 0 | 0 | 114.5 | G9 | T7-G9 VanDerWaalsContact C-N 3.29Å; T7-G9 PolarHBondContact O-N 3.24Å | ||
| 8 | M | 49.6 | Very low | 47 | Very low | 76 Ų | 76 | 86.6 Ų | 86.6 | 37% | 0.374 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.1 | 177.6 | -71.1 | -68.5 | -74.8 | 0 | 0 | 114.3 | I147 | M8-I147 HydrophobicContact CE-CB 4.35Å; M8-I147 HydrophobicContact CE-CG2 3.63Å |
| 9 | G | 44.3 | Very low | 47.2 | Very low | 41 Ų | 41 | 87.6 Ų | 87.6 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T7 N79 | T7-G9 VanDerWaalsContact C-N 3.29Å; T7-G9 PolarHBondContact O-N 3.24Å; G9-N79 PolarHBondContact O-ND2 3.43Å |
| 10 | H | 48.7 | Very low | 47.7 | Very low | 130 Ų | 130 | 85 Ų | 85 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -142 | 132.3 | -176 | -136.2 | -91.9 | 0 | 0 | 0 | 111.2 | P12 N79 | H10-P12 VanDerWaalsContact O-CD 3.3Å; H10-P12 WeakPolarHBondContact O-CD 3.18Å; H10-N79 WeakPolarHBondContact CA-OD1 3.48Å |
| 11 | L | 51.7 | Low | 48 | Very low | 16 Ų | 16 | 85.7 Ų | 85.7 | 8% | 0.084 | 52% | 0.524 | C | S | . | . | trans | -66.1 | 116.9 | 169.8 | -69.5 | 172.5 | 0 | 0 | 0 | 108.7 | F72 H77 N79 R148 F152 | L11-F72 HydrophobicContact CD1-CE1 4.16Å; L11-F72 HydrophobicContact CD2-CD1 4.27Å; L11-F72 HydrophobicContact CD2-CE1 3.66Å; L11-F72 HydrophobicContact CG-CE1 4.46Å; L11-H77 HydrophobicContact CD1-CB 3.66Å; L11-N79 PolarHBondContact N-OD1 3.25Å; L11-R148 VanDerWaalsContact CD2-NH1 3.34Å; L11-F152 HydrophobicContact CG-CZ 4.44Å | ||
| 12 | P | 49.9 | Very low | 49.1 | Very low | 25 Ų | 25 | 74 Ų | 74 | 16% | 0.162 | 47% | 0.467 | C | S | . | . | trans | -69.1 | 145.8 | 173.2 | 30.8 | -34.1 | 0 | 0 | 0 | 109.4 | H10 T20 D23 | H10-P12 VanDerWaalsContact O-CD 3.3Å; H10-P12 WeakPolarHBondContact O-CD 3.18Å; P12-T20 HydrophobicContact CG-CG2 4.19Å; P12-D23 VanDerWaalsContact CD-OD2 3.26Å; P12-D23 WeakPolarHBondContact CD-OD2 3.36Å; P12-D23 WeakPolarHBondContact CG-OD2 3.1Å | ||
| 13 | S | 54.6 | Low | 50.6 | Low | 79 Ų | 79 | 69.5 Ų | 69.5 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | trans | -123.6 | 154.2 | 174.1 | 56.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 14 | G | 58.3 | Low | 52.5 | Low | 36 Ų | 36 | 68.1 Ų | 68.1 | 37% | 0.371 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | 72.5 | -143.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G16 V17 A73 | G14-G16 PolarHBondContact O-N 3.17Å; G14-G16 VanDerWaalsContact O-N 3.11Å; G14-V17 WeakPolarHBondContact O-CB 3.31Å; G14-V17 WeakPolarHBondContact O-CG2 3.38Å; G14-V17 PolarHBondContact O-N 3.31Å; G14-V17 VanDerWaalsContact O-N 3.17Å; G14-A73 WeakPolarHBondContact CA-O 3.43Å; G14-A73 PolarHBondContact N-O 2.85Å |
| 15 | V | 51.7 | Low | 54.3 | Low | 125 Ų | 125 | 61.6 Ų | 61.6 | 76% | 0.758 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -64.3 | -15.9 | -176.5 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | V17 C18 T19 | V15-V17 PolarHBondContact O-N 3.35Å; V15-C18 PolarHBondContact O-N 3.36Å; V15-T19 PolarHBondContact O-OG1 3.43Å |
| 16 | G | 54.4 | Low | 56.1 | Low | 22 Ų | 22 | 56.5 Ų | 56.5 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -60.8 | -26.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G14 C18 T19 T20 | G14-G16 PolarHBondContact O-N 3.17Å; G14-G16 VanDerWaalsContact O-N 3.11Å; G16-C18 PolarHBondContact O-N 3.11Å; G16-T19 WeakPolarHBondContact CA-OG1 3.19Å; G16-T19 PolarHBondContact O-N 3.11Å; G16-T19 PolarHBondContact O-OG1 3.19Å; G16-T20 WeakPolarHBondContact O-CB 3.39Å; G16-T20 PolarHBondContact O-N 3.45Å; G16-T20 PolarHBondContact O-OG1 2.97Å |
| 17 | V | 56.1 | Low | 58.1 | Low | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -61 | -33 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | G14 V15 T19 D23 I24 L69 F72 | G14-V17 WeakPolarHBondContact O-CB 3.31Å; G14-V17 WeakPolarHBondContact O-CG2 3.38Å; G14-V17 PolarHBondContact O-N 3.31Å; G14-V17 VanDerWaalsContact O-N 3.17Å; V15-V17 PolarHBondContact O-N 3.35Å; V17-T19 VanDerWaalsContact C-N 3.28Å; V17-T19 PolarHBondContact O-N 2.89Å; V17-D23 HydrophobicContact CG1-CB 3.9Å; V17-D23 CarbonylContact O-C 3.16Å; V17-I24 PolarHBondContact O-N 3.2Å; V17-L69 HydrophobicContact CG1-CD1 3.81Å; V17-F72 HydrophobicContact CG1-CB 4.49Å; V17-F72 HydrophobicContact CG2-CB 4.23Å |
| 18 | C | 54.3 | Low | 60 | Low | 68 Ų | 68 | 50 Ų | 50 | 46% | 0.459 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -80.8 | -3.9 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 114 | V15 G16 | V15-C18 PolarHBondContact O-N 3.36Å; G16-C18 PolarHBondContact O-N 3.11Å |
| 19 | T | 50.7 | Low | 61.9 | Low | 107 Ų | 107 | 46.3 Ų | 46.3 | 66% | 0.656 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | -10.1 | -170.8 | 39.3 | 0 | 0 | 0 | 0 | 114.4 | V15 G16 V17 | V15-T19 PolarHBondContact O-OG1 3.43Å; G16-T19 WeakPolarHBondContact CA-OG1 3.19Å; G16-T19 PolarHBondContact O-N 3.11Å; G16-T19 PolarHBondContact O-OG1 3.19Å; V17-T19 VanDerWaalsContact C-N 3.28Å; V17-T19 PolarHBondContact O-N 2.89Å |
| 20 | T | 56.9 | Low | 64.1 | Low | 34 Ų | 34 | 45.4 Ų | 45.4 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -109 | 132.6 | -177.7 | -36.4 | 0 | 0 | 0 | 0 | 109.8 | P12 G16 D23 I24 | P12-T20 HydrophobicContact CG-CG2 4.19Å; G16-T20 WeakPolarHBondContact O-CB 3.39Å; G16-T20 PolarHBondContact O-N 3.45Å; G16-T20 PolarHBondContact O-OG1 2.97Å; T20-D23 PolarHBondContact O-N 3Å; T20-I24 PolarHBondContact O-N 2.91Å |
| 21 | I | 54.4 | Low | 66.2 | Low | 100 Ų | 100 | 43.8 Ų | 43.8 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 129.5 | 173.3 | -61.3 | 176.2 | 0 | 0 | 0 | 107.1 | I24 L144 | I21-I24 HydrophobicContact CG1-CG2 4.09Å; I21-L144 HydrophobicContact CG2-CD1 3.6Å; I21-L144 HydrophobicContact CG2-CD2 4.13Å; I21-L144 HydrophobicContact CG2-CG 4.41Å |
| 22 | P | 55.4 | Low | 68 | Low | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -91.7 | -13.8 | 15.8 | 32.7 | -33 | 0 | 0 | 0 | 116.8 | I24 L25 L144 | P22-I24 PolarHBondContact O-N 2.94Å; P22-L25 WeakPolarHBondContact O-CB 3.48Å; P22-L25 WeakPolarHBondContact O-CG 3.45Å; P22-L25 PolarHBondContact O-N 3.47Å; P22-L144 HydrophobicContact CB-CB 3.7Å; P22-L144 HydrophobicContact CB-CD1 4.12Å |
| 23 | D | 64.3 | Low | 69.8 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -68.8 | -14.6 | -164.2 | -50.4 | -42.1 | 0 | 0 | 0 | 114.2 | P12 V17 T20 L25 Y26 R148 | P12-D23 VanDerWaalsContact CD-OD2 3.26Å; P12-D23 WeakPolarHBondContact CD-OD2 3.36Å; P12-D23 WeakPolarHBondContact CG-OD2 3.1Å; V17-D23 HydrophobicContact CG1-CB 3.9Å; V17-D23 CarbonylContact O-C 3.16Å; T20-D23 PolarHBondContact O-N 3Å; D23-L25 PolarHBondContact O-N 3.23Å; D23-L25 VanDerWaalsContact O-N 3.15Å; D23-Y26 HydrophobicContact CB-CD2 3.93Å; D23-Y26 HydrophobicContact CB-CE2 4.07Å; D23-Y26 VanDerWaalsContact O-CD2 3.23Å; D23-Y26 WeakPolarHBondContact O-CD2 3.18Å; D23-Y26 PolarHBondContact O-N 3.11Å; D23-R148 IonicContact OD1-CZ 3.48Å; D23-R148 IonicContact OD1-NH1 3.99Å; D23-R148 PolarHBondContact OD1-NH1 3.38Å; D23-R148 IonicContact OD1-NH2 3.8Å; D23-R148 IonicContact OD2-NH1 3.71Å; D23-R148 PolarHBondContact OD2-NH1 3.11Å |
| 24 | I | 74.8 | Confident | 71.5 | Confident | 71 Ų | 71 | 41.2 Ų | 41.2 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -57.6 | -24.6 | 168.1 | -166.6 | 167.4 | 0 | 0 | 0 | 112.8 | V17 T20 I21 P22 Y26 P28 | V17-I24 PolarHBondContact O-N 3.2Å; T20-I24 PolarHBondContact O-N 2.91Å; I21-I24 HydrophobicContact CG1-CG2 4.09Å; P22-I24 PolarHBondContact O-N 2.94Å; I24-Y26 VanDerWaalsContact C-N 3.32Å; I24-Y26 PolarHBondContact O-N 3.01Å; I24-P28 WeakPolarHBondContact O-CD 3.22Å |
| 25 | L | 78.7 | Confident | 73.1 | Confident | 25 Ų | 25 | 42.5 Ų | 42.5 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -74 | -20.1 | -176.9 | -64.7 | 177.4 | 0 | 0 | 0 | 113.5 | P22 D23 V27 P28 E29 L137 V140 H141 L144 | P22-L25 WeakPolarHBondContact O-CB 3.48Å; P22-L25 WeakPolarHBondContact O-CG 3.45Å; P22-L25 PolarHBondContact O-N 3.47Å; D23-L25 PolarHBondContact O-N 3.23Å; D23-L25 VanDerWaalsContact O-N 3.15Å; L25-V27 VanDerWaalsContact C-N 3.26Å; L25-V27 PolarHBondContact O-N 3.23Å; L25-P28 WeakPolarHBondContact O-CD 3.44Å; L25-P28 VanDerWaalsContact O-CG 3.3Å; L25-P28 WeakPolarHBondContact O-CG 3.34Å; L25-E29 WeakPolarHBondContact O-CB 3.27Å; L25-E29 VanDerWaalsContact O-CD 3.32Å; L25-E29 WeakPolarHBondContact O-CG 3.42Å; L25-E29 PolarHBondContact O-N 2.9Å; L25-L137 HydrophobicContact CD2-CD2 4.25Å; L25-V140 HydrophobicContact CD1-CB 4.44Å; L25-V140 HydrophobicContact CD1-CG1 3.94Å; L25-H141 HydrophobicContact CB-CB 4.36Å; L25-H141 HydrophobicContact CD1-CB 3.84Å; L25-L144 HydrophobicContact CD1-CD1 3.69Å |
| 26 | Y | 80.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -37.3 | 174.8 | -75.3 | -67.3 | 0 | 0 | 0 | 113 | D23 I24 L30 T65 W68 L69 F72 D87 H91 H141 | D23-Y26 HydrophobicContact CB-CD2 3.93Å; D23-Y26 HydrophobicContact CB-CE2 4.07Å; D23-Y26 VanDerWaalsContact O-CD2 3.23Å; D23-Y26 WeakPolarHBondContact O-CD2 3.18Å; D23-Y26 PolarHBondContact O-N 3.11Å; I24-Y26 VanDerWaalsContact C-N 3.32Å; I24-Y26 PolarHBondContact O-N 3.01Å; Y26-L30 WeakPolarHBondContact O-CB 3.32Å; Y26-L30 VanDerWaalsContact O-CG 3.3Å; Y26-L30 WeakPolarHBondContact O-CG 3.44Å; Y26-L30 PolarHBondContact O-N 3.47Å; Y26-T65 HydrophobicContact CD1-CG2 3.68Å; Y26-T65 HydrophobicContact CE1-CG2 4.41Å; Y26-W68 HydrophobicContact CD1-CB 4.44Å; Y26-W68 HydrophobicContact CE1-CB 3.6Å; Y26-W68 HydrophobicContact CE1-CG 4.41Å; Y26-L69 HydrophobicContact CG-CD1 4.38Å; Y26-F72 AromaticContact CE2-CD2 3.96Å; Y26-F72 HydrophobicContact CE2-CD2 3.96Å; Y26-F72 HydrophobicContact CE2-CE2 4.33Å; Y26-F72 AromaticContact CZ-CD2 3.94Å; Y26-F72 WeakPolarHBondContact OH-CD2 3.32Å; Y26-F72 WeakPolarHBondContact OH-CE2 3.2Å; Y26-D87 PolarHBondContact OH-OD1 2.93Å; Y26-H91 AromaticContact CE1-CE1 3.73Å; Y26-H91 AromaticContact CE1-NE2 3.58Å; Y26-H91 AromaticContact CZ-CE1 3.75Å; Y26-H91 AromaticContact CZ-NE2 3.96Å; Y26-H91 PolarHBondContact OH-CE1 3.34Å; Y26-H141 AromaticContact CD1-CE1 3.93Å; Y26-H141 AromaticContact CD2-CE1 3.82Å; Y26-H141 AromaticContact CE1-CE1 3.68Å; Y26-H141 AromaticContact CE2-CE1 3.51Å; Y26-H141 AromaticContact CE2-NE2 3.86Å; Y26-H141 AromaticContact CZ-CE1 3.45Å; Y26-H141 VanDerWaalsContact CZ-CE1 3.45Å; Y26-H141 AromaticContact CZ-NE2 3.89Å |
| 27 | V | 84.7 | Confident | 77 | Confident | 56 Ų | 56 | 39 Ų | 39 | 34% | 0.339 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.1 | -55.8 | -178.8 | 177.4 | 0 | 0 | 0 | 0 | 112.4 | L25 E29 L30 I31 | L25-V27 VanDerWaalsContact C-N 3.26Å; L25-V27 PolarHBondContact O-N 3.23Å; V27-E29 VanDerWaalsContact C-N 3.3Å; V27-E29 PolarHBondContact O-N 3.39Å; V27-L30 PolarHBondContact O-N 2.91Å; V27-I31 HydrophobicContact CG1-CD1 3.87Å; V27-I31 WeakPolarHBondContact O-CG1 3.26Å; V27-I31 PolarHBondContact O-N 3.09Å |
| 28 | P | 86.3 | Confident | 78.8 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -34.4 | 175.8 | 25 | -32.7 | 0 | 0 | 0 | 112 | I24 L25 L30 I31 F32 L137 | I24-P28 WeakPolarHBondContact O-CD 3.22Å; L25-P28 WeakPolarHBondContact O-CD 3.44Å; L25-P28 VanDerWaalsContact O-CG 3.3Å; L25-P28 WeakPolarHBondContact O-CG 3.34Å; P28-L30 VanDerWaalsContact C-N 3.33Å; P28-L30 PolarHBondContact O-N 3.08Å; P28-I31 PolarHBondContact O-N 3.44Å; P28-F32 HydrophobicContact CB-CD2 4.05Å; P28-F32 HydrophobicContact CB-CE2 4.03Å; P28-F32 WeakPolarHBondContact O-CB 3.4Å; P28-F32 WeakPolarHBondContact O-CD2 3.1Å; P28-F32 PolarHBondContact O-N 3.24Å; P28-L137 HydrophobicContact CB-CD1 3.95Å; P28-L137 HydrophobicContact CB-CD2 4.35Å; P28-L137 HydrophobicContact CG-CD2 4.29Å |
| 29 | E | 89.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 173.5 | -74.7 | 167.6 | -177.3 | 0 | 0 | 112.5 | L25 V27 G33 T65 H91 L137 Y138 H141 | L25-E29 WeakPolarHBondContact O-CB 3.27Å; L25-E29 VanDerWaalsContact O-CD 3.32Å; L25-E29 WeakPolarHBondContact O-CG 3.42Å; L25-E29 PolarHBondContact O-N 2.9Å; V27-E29 VanDerWaalsContact C-N 3.3Å; V27-E29 PolarHBondContact O-N 3.39Å; E29-G33 WeakPolarHBondContact O-CA 3.18Å; E29-G33 PolarHBondContact O-N 2.93Å; E29-T65 HydrophobicContact CB-CG2 4.04Å; E29-H91 IonicContact OE2-NE2 2.71Å; E29-L137 HydrophobicContact CG-CB 3.78Å; E29-Y138 HydrophobicContact CB-CE1 4.03Å; E29-Y138 VanDerWaalsContact CD-CD1 3.44Å; E29-Y138 VanDerWaalsContact CD-CE1 3.47Å; E29-Y138 HydrophobicContact CG-CD1 3.96Å; E29-Y138 HydrophobicContact CG-CE1 3.84Å; E29-Y138 HydrophobicContact CG-CG 4.49Å; E29-Y138 VanDerWaalsContact OE2-CE1 3.31Å; E29-Y138 WeakPolarHBondContact OE2-CE1 3.5Å; E29-H141 WeakPolarHBondContact OE1-CB 3.48Å; E29-H141 IonicContact OE1-CG 2.54Å; E29-H141 IonicContact OE1-ND1 3.44Å; E29-H141 PolarHBondContact OE1-ND1 3.3Å; E29-H141 IonicContact OE2-CE1 3.32Å; E29-H141 IonicContact OE2-ND1 2.89Å; E29-H141 PolarHBondContact OE2-ND1 2.9Å |
| 30 | L | 89.6 | Confident | 82.4 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 174.7 | -75.9 | 171.7 | 0 | 0 | 0 | 112.4 | Y26 V27 P28 G34 F62 T65 F66 L69 | Y26-L30 WeakPolarHBondContact O-CB 3.32Å; Y26-L30 VanDerWaalsContact O-CG 3.3Å; Y26-L30 WeakPolarHBondContact O-CG 3.44Å; Y26-L30 PolarHBondContact O-N 3.47Å; V27-L30 PolarHBondContact O-N 2.91Å; P28-L30 VanDerWaalsContact C-N 3.33Å; P28-L30 PolarHBondContact O-N 3.08Å; L30-G34 VanDerWaalsContact O-CA 3.3Å; L30-G34 WeakPolarHBondContact O-CA 3.4Å; L30-G34 PolarHBondContact O-N 3.33Å; L30-F62 HydrophobicContact CB-CE2 4.2Å; L30-F62 HydrophobicContact CD2-CD2 3.66Å; L30-F62 HydrophobicContact CD2-CE2 3.7Å; L30-F62 HydrophobicContact CD2-CG 4.13Å; L30-F62 HydrophobicContact CD2-CZ 4.2Å; L30-F62 VanDerWaalsContact CD2-O 3.32Å; L30-F62 WeakPolarHBondContact CD2-O 3.43Å; L30-F62 VanDerWaalsContact O-CE2 3.3Å; L30-F62 WeakPolarHBondContact O-CE2 3.48Å; L30-T65 HydrophobicContact CD2-CG2 4Å; L30-T65 HydrophobicContact CG-CG2 3.86Å; L30-F66 HydrophobicContact CD1-CD2 4.27Å; L30-F66 HydrophobicContact CD2-CB 3.94Å; L30-L69 HydrophobicContact CD1-CD2 3.68Å |
| 31 | I | 92 | Very high | 84.1 | Confident | 97 Ų | 97 | 35.6 Ų | 35.6 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -55.2 | -179.7 | -65.9 | 165.9 | 0 | 0 | 0 | 109.9 | V27 P28 G34 L35 | V27-I31 HydrophobicContact CG1-CD1 3.87Å; V27-I31 WeakPolarHBondContact O-CG1 3.26Å; V27-I31 PolarHBondContact O-N 3.09Å; P28-I31 PolarHBondContact O-N 3.44Å; I31-G34 PolarHBondContact O-N 2.85Å; I31-L35 HydrophobicContact CG2-CD1 4.29Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.47Å; I31-L35 PolarHBondContact O-N 2.86Å |
| 32 | F | 89.6 | Confident | 85.8 | Confident | 60 Ų | 60 | 33.7 Ų | 33.7 | 26% | 0.263 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -71 | -40.4 | -176.8 | -66.9 | -65.6 | 0 | 0 | 0 | 112 | P28 G34 L35 V36 F130 V133 T134 L137 | P28-F32 HydrophobicContact CB-CD2 4.05Å; P28-F32 HydrophobicContact CB-CE2 4.03Å; P28-F32 WeakPolarHBondContact O-CB 3.4Å; P28-F32 WeakPolarHBondContact O-CD2 3.1Å; P28-F32 PolarHBondContact O-N 3.24Å; F32-G34 VanDerWaalsContact C-N 3.28Å; F32-G34 PolarHBondContact O-N 3.35Å; F32-L35 HydrophobicContact CD1-CD1 4.23Å; F32-L35 PolarHBondContact O-N 3.3Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.2Å; F32-V36 VanDerWaalsContact O-N 3.12Å; F32-F130 AromaticContact CD1-CD1 3.66Å; F32-F130 HydrophobicContact CD1-CD1 3.66Å; F32-F130 HydrophobicContact CD1-CE1 4.13Å; F32-F130 HydrophobicContact CD1-CG 4.49Å; F32-F130 HydrophobicContact CE1-CD1 4.04Å; F32-F130 HydrophobicContact CE1-CE1 4.1Å; F32-V133 HydrophobicContact CD1-CG1 4.27Å; F32-V133 HydrophobicContact CD2-CG1 3.99Å; F32-V133 HydrophobicContact CE1-CG1 4.45Å; F32-V133 HydrophobicContact CE2-CG1 4.19Å; F32-V133 HydrophobicContact CG-CG1 4.04Å; F32-V133 HydrophobicContact CZ-CG1 4.42Å; F32-T134 VanDerWaalsContact CB-OG1 3.28Å; F32-T134 WeakPolarHBondContact CB-OG1 3.48Å; F32-L137 HydrophobicContact CB-CD1 4.47Å; F32-L137 HydrophobicContact CD2-CD1 3.48Å; F32-L137 VanDerWaalsContact CD2-CD1 3.48Å; F32-L137 HydrophobicContact CE2-CD1 4.14Å; F32-L137 HydrophobicContact CG-CD1 4.35Å |
| 33 | G | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E29 V36 S58 Y98 T134 | E29-G33 WeakPolarHBondContact O-CA 3.18Å; E29-G33 PolarHBondContact O-N 2.93Å; G33-V36 PolarHBondContact O-N 3.17Å; G33-S58 PolarHBondContact O-OG 3.08Å; G33-Y98 WeakPolarHBondContact CA-OH 3.43Å; G33-T134 PolarHBondContact N-OG1 3.03Å |
| 34 | G | 89.8 | Confident | 88.4 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L30 I31 F32 V36 W37 I38 | L30-G34 VanDerWaalsContact O-CA 3.3Å; L30-G34 WeakPolarHBondContact O-CA 3.4Å; L30-G34 PolarHBondContact O-N 3.33Å; I31-G34 PolarHBondContact O-N 2.85Å; F32-G34 VanDerWaalsContact C-N 3.28Å; F32-G34 PolarHBondContact O-N 3.35Å; G34-V36 VanDerWaalsContact C-N 3.31Å; G34-V36 PolarHBondContact O-N 3.28Å; G34-W37 PolarHBondContact O-NE1 3.24Å; G34-I38 WeakPolarHBondContact O-CD1 3.48Å; G34-I38 VanDerWaalsContact O-CG1 3.24Å; G34-I38 WeakPolarHBondContact O-CG1 3.42Å; G34-I38 PolarHBondContact O-N 2.92Å |
| 35 | L | 92.5 | Very high | 88.9 | Confident | 62 Ų | 62 | 40.5 Ų | 40.5 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 178.7 | -70.3 | 169.8 | 0 | 0 | 0 | 112 | I31 F32 I38 L39 F130 | I31-L35 HydrophobicContact CG2-CD1 4.29Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.47Å; I31-L35 PolarHBondContact O-N 2.86Å; F32-L35 HydrophobicContact CD1-CD1 4.23Å; F32-L35 PolarHBondContact O-N 3.3Å; L35-I38 PolarHBondContact O-N 2.66Å; L35-L39 HydrophobicContact CB-CD1 4.49Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 WeakPolarHBondContact O-CD1 3.1Å; L35-L39 WeakPolarHBondContact O-CG 3.3Å; L35-L39 PolarHBondContact O-N 3.36Å; L35-F130 HydrophobicContact CB-CD2 4.2Å; L35-F130 HydrophobicContact CB-CG 4.49Å; L35-F130 HydrophobicContact CD1-CE1 4.38Å; L35-F130 HydrophobicContact CD1-CE2 4.37Å; L35-F130 HydrophobicContact CD1-CZ 4.3Å |
| 36 | V | 93.8 | Very high | 89 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -54.2 | -178.5 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | F32 G33 G34 I38 L39 V40 V54 Y98 F130 | F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.2Å; F32-V36 VanDerWaalsContact O-N 3.12Å; G33-V36 PolarHBondContact O-N 3.17Å; G34-V36 VanDerWaalsContact C-N 3.31Å; G34-V36 PolarHBondContact O-N 3.28Å; V36-I38 PolarHBondContact O-N 3.11Å; V36-L39 PolarHBondContact O-N 2.98Å; V36-V40 VanDerWaalsContact O-CG2 3.29Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 3.03Å; V36-V54 HydrophobicContact CG1-CG1 4.31Å; V36-Y98 HydrophobicContact CG2-CE1 4.42Å; V36-F130 HydrophobicContact CG2-CB 3.75Å |
| 37 | W | 92.7 | Very high | 89.2 | Confident | 73 Ų | 73 | 45 Ų | 45 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.1 | -29.8 | -178.8 | 64.6 | -98.7 | 0 | 0 | 0 | 113 | G34 A41 S58 V59 F62 | G34-W37 PolarHBondContact O-NE1 3.24Å; W37-A41 WeakPolarHBondContact O-CB 3.3Å; W37-A41 PolarHBondContact O-N 2.99Å; W37-S58 WeakPolarHBondContact CB-OG 3.38Å; W37-S58 PolarHBondContact N-OG 2.91Å; W37-V59 HydrophobicContact CB-CG2 3.88Å; W37-V59 HydrophobicContact CD2-CG2 4.17Å; W37-V59 HydrophobicContact CG-CG2 3.85Å; W37-F62 AromaticContact NE1-CD2 3.92Å; W37-F62 AromaticContact NE1-CG 3.85Å |
| 38 | I | 93.9 | Very high | 89.3 | Confident | 75 Ų | 75 | 49.9 Ų | 49.9 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 173.7 | -68.4 | 167.4 | 0 | 0 | 0 | 110.3 | G34 L35 V36 A41 C42 | G34-I38 WeakPolarHBondContact O-CD1 3.48Å; G34-I38 VanDerWaalsContact O-CG1 3.24Å; G34-I38 WeakPolarHBondContact O-CG1 3.42Å; G34-I38 PolarHBondContact O-N 2.92Å; L35-I38 PolarHBondContact O-N 2.66Å; V36-I38 PolarHBondContact O-N 3.11Å; I38-A41 PolarHBondContact O-N 3.4Å; I38-C42 WeakPolarHBondContact O-CB 3.29Å; I38-C42 PolarHBondContact O-N 3.43Å; I38-C42 PolarHBondContact O-SG 2.93Å |
| 39 | L | 91.4 | Very high | 89.3 | Confident | 29 Ų | 29 | 55 Ų | 55 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 179.9 | -69.8 | 164.6 | 0 | 0 | 0 | 111.7 | L35 V36 A41 C42 T43 L123 S126 A127 F130 | L35-L39 HydrophobicContact CB-CD1 4.49Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 WeakPolarHBondContact O-CD1 3.1Å; L35-L39 WeakPolarHBondContact O-CG 3.3Å; L35-L39 PolarHBondContact O-N 3.36Å; V36-L39 PolarHBondContact O-N 2.98Å; L39-A41 VanDerWaalsContact C-N 3.34Å; L39-C42 WeakPolarHBondContact O-CB 3.44Å; L39-C42 PolarHBondContact O-N 3.46Å; L39-T43 PolarHBondContact O-N 3.09Å; L39-L123 HydrophobicContact CD2-CD2 4.06Å; L39-L123 HydrophobicContact CD2-CG 4.1Å; L39-S126 WeakPolarHBondContact CD1-OG 3.29Å; L39-A127 HydrophobicContact CB-CB 3.81Å; L39-A127 HydrophobicContact CD1-CB 4.21Å; L39-F130 HydrophobicContact CD1-CD2 3.49Å; L39-F130 VanDerWaalsContact CD1-CD2 3.49Å; L39-F130 HydrophobicContact CD1-CE2 3.82Å |
| 40 | V | 90.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 174.4 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | V36 C42 T43 V45 Q51 V54 M55 L105 A127 | V36-V40 VanDerWaalsContact O-CG2 3.29Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 3.03Å; V40-C42 VanDerWaalsContact C-N 3.33Å; V40-T43 PolarHBondContact O-N 3.48Å; V40-T43 PolarHBondContact O-OG1 3.31Å; V40-V45 PolarHBondContact O-N 3.37Å; V40-Q51 HydrophobicContact CG1-CB 4.24Å; V40-V54 HydrophobicContact CG2-CG1 3.98Å; V40-M55 HydrophobicContact CG1-CB 4.31Å; V40-L105 HydrophobicContact CG2-CD1 4.06Å; V40-L105 HydrophobicContact CG2-CD2 4.48Å; V40-A127 HydrophobicContact CG2-CB 4.26Å |
| 41 | A | 91.9 | Very high | 89.2 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68 | -35.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W37 I38 L39 T43 Y44 M55 | W37-A41 WeakPolarHBondContact O-CB 3.3Å; W37-A41 PolarHBondContact O-N 2.99Å; I38-A41 PolarHBondContact O-N 3.4Å; L39-A41 VanDerWaalsContact C-N 3.34Å; A41-T43 PolarHBondContact O-N 3Å; A41-Y44 WeakPolarHBondContact O-CA 3.46Å; A41-Y44 PolarHBondContact O-N 2.98Å; A41-M55 HydrophobicContact CB-CE 4.26Å |
| 42 | C | 90.8 | Very high | 89.1 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69 | -17.7 | 177.5 | -74.5 | 0 | 0 | 0 | 0 | 114.1 | I38 L39 V40 Y44 L123 | I38-C42 WeakPolarHBondContact O-CB 3.29Å; I38-C42 PolarHBondContact O-N 3.43Å; I38-C42 PolarHBondContact O-SG 2.93Å; L39-C42 WeakPolarHBondContact O-CB 3.44Å; L39-C42 PolarHBondContact O-N 3.46Å; V40-C42 VanDerWaalsContact C-N 3.33Å; C42-Y44 VanDerWaalsContact C-N 3.28Å; C42-L123 HydrophobicContact CB-CD2 3.19Å |
| 43 | T | 87.2 | Confident | 89.4 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 8.6 | 169.1 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | L39 V40 A41 V45 V46 Q51 D120 L123 | L39-T43 PolarHBondContact O-N 3.09Å; V40-T43 PolarHBondContact O-N 3.48Å; V40-T43 PolarHBondContact O-OG1 3.31Å; A41-T43 PolarHBondContact O-N 3Å; T43-V45 PolarHBondContact O-N 3.34Å; T43-V45 VanDerWaalsContact O-N 3.17Å; T43-V46 PolarHBondContact O-N 3.29Å; T43-Q51 PolarHBondContact OG1-OE1 3.16Å; T43-D120 HydrophobicContact CG2-CB 4.2Å; T43-L123 HydrophobicContact CG2-CB 3.82Å; T43-L123 HydrophobicContact CG2-CD2 4.34Å |
| 44 | Y | 86.2 | Confident | 89.6 | Confident | 186 Ų | 186 | 53.8 Ų | 53.8 | 73% | 0.729 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.3 | -177.9 | -55.8 | -82.2 | 0 | 0 | 0 | 114.2 | A41 C42 V46 | A41-Y44 WeakPolarHBondContact O-CA 3.46Å; A41-Y44 PolarHBondContact O-N 2.98Å; C42-Y44 VanDerWaalsContact C-N 3.28Å; Y44-V46 VanDerWaalsContact C-N 3.29Å; Y44-V46 PolarHBondContact O-N 3.35Å |
| 45 | V | 85.8 | Confident | 89.8 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 40.5 | 178 | -159.8 | 0 | 0 | 0 | 0 | 111.8 | V40 T43 P47 H48 Q51 M55 | V40-V45 PolarHBondContact O-N 3.37Å; T43-V45 PolarHBondContact O-N 3.34Å; T43-V45 VanDerWaalsContact O-N 3.17Å; V45-P47 CarbonylContact O-C 3.15Å; V45-H48 VanDerWaalsContact O-CA 3.3Å; V45-H48 WeakPolarHBondContact O-CA 3.28Å; V45-H48 PolarHBondContact O-N 2.95Å; V45-H48 VanDerWaalsContact O-N 3.14Å; V45-Q51 VanDerWaalsContact CA-OE1 3.28Å; V45-Q51 HydrophobicContact CG1-CB 3.71Å; V45-M55 HydrophobicContact CG2-SD 3.58Å; V45-M55 VanDerWaalsContact CG2-SD 3.58Å |
| 46 | V | 81.1 | Confident | 89.9 | Confident | 76 Ų | 76 | 58.7 Ų | 58.7 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -104.2 | 125 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | T43 Y44 Q51 | T43-V46 PolarHBondContact O-N 3.29Å; Y44-V46 VanDerWaalsContact C-N 3.29Å; Y44-V46 PolarHBondContact O-N 3.35Å; V46-Q51 PolarHBondContact O-OE1 3.48Å |
| 47 | P | 84.8 | Confident | 89.9 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 28% | 0.279 | 30% | 0.301 | S | S | . | . | S | Bend | cis | -75.9 | 146.6 | -3.9 | 32.2 | -36.7 | 0 | 0 | 0 | 112.7 | V45 N49 Q51 V108 | V45-P47 CarbonylContact O-C 3.15Å; P47-N49 PolarHBondContact O-N 2.84Å; P47-Q51 WeakPolarHBondContact O-CB 3.31Å; P47-Q51 PolarHBondContact O-N 3.46Å; P47-V108 HydrophobicContact CG-CG1 4.39Å; P47-V108 HydrophobicContact CG-CG2 4.35Å |
| 48 | H | 87 | Confident | 89.9 | Confident | 159 Ų | 159 | 55.2 Ų | 55.2 | 74% | 0.736 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -50.1 | -38.5 | -178.3 | -59.1 | 96.4 | 0 | 0 | 0 | 113.4 | V45 G52 | V45-H48 VanDerWaalsContact O-CA 3.3Å; V45-H48 WeakPolarHBondContact O-CA 3.28Å; V45-H48 PolarHBondContact O-N 2.95Å; V45-H48 VanDerWaalsContact O-N 3.14Å; H48-G52 WeakPolarHBondContact O-CA 3.49Å; H48-G52 PolarHBondContact O-N 3.42Å |
| 49 | N | 86.9 | Confident | 89.9 | Confident | 137 Ų | 137 | 54.3 Ų | 54.3 | 73% | 0.733 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -117.8 | 120.5 | 170.9 | -173.6 | 25.6 | 0 | 0 | 0 | 108 | P47 | P47-N49 PolarHBondContact O-N 2.84Å |
| 50 | P | 89.8 | Confident | 90.1 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | H | α-helix | cis | -99.8 | 6.4 | 11.7 | 39.7 | -38.2 | 0 | 0 | 0 | 116.6 | G52 W53 V54 A104 V108 | P50-G52 PolarHBondContact O-N 3.35Å; P50-W53 WeakPolarHBondContact O-CB 3.43Å; P50-W53 PolarHBondContact O-N 3.32Å; P50-V54 PolarHBondContact O-N 3.16Å; P50-A104 HydrophobicContact CB-CB 3.95Å; P50-A104 HydrophobicContact CG-CB 4.07Å; P50-V108 VanDerWaalsContact CD-CG2 3.43Å; P50-V108 HydrophobicContact CG-CG2 3.41Å; P50-V108 VanDerWaalsContact CG-CG2 3.41Å |
| 51 | Q | 87.3 | Confident | 90.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -29.8 | -177.5 | -74.7 | -145 | -30.8 | 0 | 0 | 113.5 | V40 T43 V45 V46 P47 W53 V54 M55 V108 D124 | V40-Q51 HydrophobicContact CG1-CB 4.24Å; T43-Q51 PolarHBondContact OG1-OE1 3.16Å; V45-Q51 VanDerWaalsContact CA-OE1 3.28Å; V45-Q51 HydrophobicContact CG1-CB 3.71Å; V46-Q51 PolarHBondContact O-OE1 3.48Å; P47-Q51 WeakPolarHBondContact O-CB 3.31Å; P47-Q51 PolarHBondContact O-N 3.46Å; Q51-W53 VanDerWaalsContact C-N 3.27Å; Q51-W53 PolarHBondContact O-N 2.71Å; Q51-V54 WeakPolarHBondContact O-CB 3.32Å; Q51-V54 PolarHBondContact O-N 2.59Å; Q51-V54 VanDerWaalsContact O-N 3.16Å; Q51-M55 PolarHBondContact O-N 3.04Å; Q51-V108 HydrophobicContact CG-CG1 4.23Å; Q51-D124 PolarHBondContact NE2-OD1 3Å |
| 52 | G | 90.2 | Very high | 90.2 | Very high | 31 Ų | 31 | 57.8 Ų | 57.8 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -34.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H48 P50 F56 | H48-G52 WeakPolarHBondContact O-CA 3.49Å; H48-G52 PolarHBondContact O-N 3.42Å; P50-G52 PolarHBondContact O-N 3.35Å; G52-F56 WeakPolarHBondContact O-CB 3.48Å; G52-F56 PolarHBondContact O-N 3.15Å |
| 53 | W | 94.4 | Very high | 90.3 | Very high | 88 Ų | 88 | 58.5 Ų | 58.5 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 173.4 | 171.5 | -114.2 | 0 | 0 | 0 | 111.5 | P50 Q51 M55 F56 V57 S100 | P50-W53 WeakPolarHBondContact O-CB 3.43Å; P50-W53 PolarHBondContact O-N 3.32Å; Q51-W53 VanDerWaalsContact C-N 3.27Å; Q51-W53 PolarHBondContact O-N 2.71Å; W53-M55 VanDerWaalsContact C-N 3.32Å; W53-M55 PolarHBondContact O-N 3.5Å; W53-F56 AromaticContact CE3-CD1 3.91Å; W53-F56 HydrophobicContact CE3-CD1 3.91Å; W53-F56 HydrophobicContact CH2-CD1 4.5Å; W53-F56 AromaticContact CZ3-CD1 3.67Å; W53-F56 HydrophobicContact CZ3-CD1 3.67Å; W53-F56 AromaticContact CZ3-CE1 3.89Å; W53-F56 HydrophobicContact CZ3-CE1 3.89Å; W53-F56 PolarHBondContact O-N 3.28Å; W53-V57 HydrophobicContact CD2-CG2 3.85Å; W53-V57 VanDerWaalsContact CE2-CG2 3.48Å; W53-V57 HydrophobicContact CE3-CG2 4.14Å; W53-V57 HydrophobicContact CH2-CG2 3.8Å; W53-V57 HydrophobicContact CZ2-CG2 3.47Å; W53-V57 VanDerWaalsContact CZ2-CG2 3.47Å; W53-V57 HydrophobicContact CZ3-CG2 4.12Å; W53-V57 WeakPolarHBondContact O-CG2 3.3Å; W53-V57 PolarHBondContact O-N 3.46Å; W53-S100 PolarHBondContact NE1-OG 2.58Å |
| 54 | V | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | V36 V40 P50 Q51 S58 A101 A104 L105 | V36-V54 HydrophobicContact CG1-CG1 4.31Å; V40-V54 HydrophobicContact CG2-CG1 3.98Å; P50-V54 PolarHBondContact O-N 3.16Å; Q51-V54 WeakPolarHBondContact O-CB 3.32Å; Q51-V54 PolarHBondContact O-N 2.59Å; Q51-V54 VanDerWaalsContact O-N 3.16Å; V54-S58 VanDerWaalsContact O-CB 3.25Å; V54-S58 WeakPolarHBondContact O-CB 3.13Å; V54-S58 PolarHBondContact O-N 3.45Å; V54-A101 HydrophobicContact CB-CB 4.43Å; V54-A101 HydrophobicContact CG1-CB 4.27Å; V54-A101 HydrophobicContact CG2-CB 4.35Å; V54-A101 WeakPolarHBondContact CG2-O 3.1Å; V54-A104 HydrophobicContact CG2-CB 4.21Å; V54-L105 HydrophobicContact CG1-CB 4.34Å; V54-L105 HydrophobicContact CG1-CD1 4.31Å; V54-L105 HydrophobicContact CG1-CD2 4.16Å; V54-L105 HydrophobicContact CG2-CB 4.03Å; V54-L105 HydrophobicContact CG2-CD1 4.46Å |
| 55 | M | 93.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 52 Ų | 52 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 177.9 | -169.3 | 176.4 | -171.3 | 0 | 0 | 111.7 | V40 A41 V45 Q51 W53 S58 V59 | V40-M55 HydrophobicContact CG1-CB 4.31Å; A41-M55 HydrophobicContact CB-CE 4.26Å; V45-M55 HydrophobicContact CG2-SD 3.58Å; V45-M55 VanDerWaalsContact CG2-SD 3.58Å; Q51-M55 PolarHBondContact O-N 3.04Å; W53-M55 VanDerWaalsContact C-N 3.32Å; W53-M55 PolarHBondContact O-N 3.5Å; M55-S58 PolarHBondContact O-N 3.23Å; M55-V59 HydrophobicContact CG-CG2 4.46Å; M55-V59 WeakPolarHBondContact O-CB 3.18Å; M55-V59 WeakPolarHBondContact O-CG2 3.31Å; M55-V59 PolarHBondContact O-N 2.81Å |
| 56 | F | 94.3 | Very high | 90.8 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 48% | 0.482 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.7 | -52.4 | 176.8 | 168.7 | -100.5 | 0 | 0 | 0 | 111.9 | G52 W53 S58 V59 F60 | G52-F56 WeakPolarHBondContact O-CB 3.48Å; G52-F56 PolarHBondContact O-N 3.15Å; W53-F56 AromaticContact CE3-CD1 3.91Å; W53-F56 HydrophobicContact CE3-CD1 3.91Å; W53-F56 HydrophobicContact CH2-CD1 4.5Å; W53-F56 AromaticContact CZ3-CD1 3.67Å; W53-F56 HydrophobicContact CZ3-CD1 3.67Å; W53-F56 AromaticContact CZ3-CE1 3.89Å; W53-F56 HydrophobicContact CZ3-CE1 3.89Å; W53-F56 PolarHBondContact O-N 3.28Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-S58 PolarHBondContact O-N 3.06Å; F56-V59 PolarHBondContact O-N 2.97Å; F56-F60 WeakPolarHBondContact O-CB 3.47Å; F56-F60 PolarHBondContact O-N 2.99Å |
| 57 | V | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 179.8 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | W53 F60 C61 F97 Y98 A101 | W53-V57 HydrophobicContact CD2-CG2 3.85Å; W53-V57 VanDerWaalsContact CE2-CG2 3.48Å; W53-V57 HydrophobicContact CE3-CG2 4.14Å; W53-V57 HydrophobicContact CH2-CG2 3.8Å; W53-V57 HydrophobicContact CZ2-CG2 3.47Å; W53-V57 VanDerWaalsContact CZ2-CG2 3.47Å; W53-V57 HydrophobicContact CZ3-CG2 4.12Å; W53-V57 WeakPolarHBondContact O-CG2 3.3Å; W53-V57 PolarHBondContact O-N 3.46Å; V57-F60 PolarHBondContact O-N 3.48Å; V57-C61 WeakPolarHBondContact O-CB 3.41Å; V57-C61 PolarHBondContact O-N 3.19Å; V57-C61 PolarHBondContact O-SG 3.06Å; V57-F97 HydrophobicContact CG1-CB 3.83Å; V57-F97 HydrophobicContact CG2-CB 4.26Å; V57-F97 HydrophobicContact CG2-CD2 4.28Å; V57-Y98 HydrophobicContact CG1-CD2 4.04Å; V57-Y98 HydrophobicContact CG1-CE2 4.35Å; V57-Y98 HydrophobicContact CG1-CG 4.38Å; V57-A101 HydrophobicContact CB-CB 4.01Å; V57-A101 HydrophobicContact CG1-CB 3.86Å; V57-A101 HydrophobicContact CG2-CB 4.33Å |
| 58 | S | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | -174.3 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | G33 W37 V54 M55 F56 F62 Y98 | G33-S58 PolarHBondContact O-OG 3.08Å; W37-S58 WeakPolarHBondContact CB-OG 3.38Å; W37-S58 PolarHBondContact N-OG 2.91Å; V54-S58 VanDerWaalsContact O-CB 3.25Å; V54-S58 WeakPolarHBondContact O-CB 3.13Å; V54-S58 PolarHBondContact O-N 3.45Å; M55-S58 PolarHBondContact O-N 3.23Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-S58 PolarHBondContact O-N 3.06Å; S58-F62 VanDerWaalsContact O-CB 3.25Å; S58-F62 WeakPolarHBondContact O-CB 3.43Å; S58-F62 PolarHBondContact O-N 3.39Å; S58-Y98 WeakPolarHBondContact CA-OH 3.23Å; S58-Y98 WeakPolarHBondContact CB-OH 3.28Å; S58-Y98 PolarHBondContact OG-OH 3.46Å |
| 59 | V | 94.3 | Very high | 91.1 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.3 | -44 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | W37 M55 F56 C61 F62 V63 | W37-V59 HydrophobicContact CB-CG2 3.88Å; W37-V59 HydrophobicContact CD2-CG2 4.17Å; W37-V59 HydrophobicContact CG-CG2 3.85Å; M55-V59 HydrophobicContact CG-CG2 4.46Å; M55-V59 WeakPolarHBondContact O-CB 3.18Å; M55-V59 WeakPolarHBondContact O-CG2 3.31Å; M55-V59 PolarHBondContact O-N 2.81Å; F56-V59 PolarHBondContact O-N 2.97Å; V59-C61 PolarHBondContact O-N 3.23Å; V59-F62 PolarHBondContact O-N 2.95Å; V59-V63 HydrophobicContact CG1-CG2 4.39Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 3.49Å |
| 60 | F | 93.9 | Very high | 91 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.5 | -52.2 | 178.5 | 171.2 | -100.6 | 0 | 0 | 0 | 111.2 | F56 V57 F62 V63 M64 F97 | F56-F60 WeakPolarHBondContact O-CB 3.47Å; F56-F60 PolarHBondContact O-N 2.99Å; V57-F60 PolarHBondContact O-N 3.48Å; F60-F62 PolarHBondContact O-N 3.38Å; F60-V63 PolarHBondContact O-N 2.85Å; F60-M64 HydrophobicContact CD2-CG 4.28Å; F60-M64 HydrophobicContact CE1-CG 4.25Å; F60-M64 HydrophobicContact CE2-CG 3.9Å; F60-M64 HydrophobicContact CE2-SD 4.47Å; F60-M64 HydrophobicContact CZ-CG 3.88Å; F60-M64 WeakPolarHBondContact O-CB 3.38Å; F60-M64 VanDerWaalsContact O-CG 3.3Å; F60-M64 WeakPolarHBondContact O-CG 3.25Å; F60-M64 PolarHBondContact O-N 3.32Å; F60-F97 HydrophobicContact CD1-CD2 4.45Å; F60-F97 HydrophobicContact CE1-CE2 4.49Å |
| 61 | C | 92.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 177 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | V57 V59 V63 M64 T65 Y90 Y98 Y138 | V57-C61 WeakPolarHBondContact O-CB 3.41Å; V57-C61 PolarHBondContact O-N 3.19Å; V57-C61 PolarHBondContact O-SG 3.06Å; V59-C61 PolarHBondContact O-N 3.23Å; C61-V63 PolarHBondContact O-N 3.46Å; C61-M64 PolarHBondContact O-N 3.03Å; C61-T65 WeakPolarHBondContact O-CB 3.16Å; C61-T65 PolarHBondContact O-N 3.41Å; C61-T65 PolarHBondContact O-OG1 3.38Å; C61-Y90 PolarHBondContact O-OH 3.37Å; C61-Y98 HydrophobicContact CB-CD2 4.09Å; C61-Y98 HydrophobicContact CB-CE2 3.54Å; C61-Y138 HydrophobicContact CB-CE2 4.41Å |
| 62 | F | 92.4 | Very high | 90 | Very high | 59 Ų | 59 | 45.7 Ų | 45.7 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59 | -47.8 | 175.9 | 179.9 | -89.9 | 0 | 0 | 0 | 111.9 | L30 W37 S58 V59 F60 F66 | L30-F62 HydrophobicContact CB-CE2 4.2Å; L30-F62 HydrophobicContact CD2-CD2 3.66Å; L30-F62 HydrophobicContact CD2-CE2 3.7Å; L30-F62 HydrophobicContact CD2-CG 4.13Å; L30-F62 HydrophobicContact CD2-CZ 4.2Å; L30-F62 VanDerWaalsContact CD2-O 3.32Å; L30-F62 WeakPolarHBondContact CD2-O 3.43Å; L30-F62 VanDerWaalsContact O-CE2 3.3Å; L30-F62 WeakPolarHBondContact O-CE2 3.48Å; W37-F62 AromaticContact NE1-CD2 3.92Å; W37-F62 AromaticContact NE1-CG 3.85Å; S58-F62 VanDerWaalsContact O-CB 3.25Å; S58-F62 WeakPolarHBondContact O-CB 3.43Å; S58-F62 PolarHBondContact O-N 3.39Å; V59-F62 PolarHBondContact O-N 2.95Å; F60-F62 PolarHBondContact O-N 3.38Å; F62-F66 VanDerWaalsContact O-CB 3.31Å; F62-F66 WeakPolarHBondContact O-CB 3.31Å; F62-F66 PolarHBondContact O-N 2.95Å |
| 63 | V | 93.4 | Very high | 89.3 | Confident | 73 Ų | 73 | 46.1 Ų | 46.1 | 44% | 0.442 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 178.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | V59 F60 C61 F66 I67 | V59-V63 HydrophobicContact CG1-CG2 4.39Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 3.49Å; F60-V63 PolarHBondContact O-N 2.85Å; C61-V63 PolarHBondContact O-N 3.46Å; V63-F66 WeakPolarHBondContact O-CB 3.28Å; V63-F66 PolarHBondContact O-N 2.98Å; V63-I67 HydrophobicContact CG1-CD1 3.93Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.24Å; V63-I67 PolarHBondContact O-N 3.06Å |
| 64 | M | 90.7 | Very high | 88.4 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 29% | 0.286 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -43.5 | -179.4 | -70.4 | -59.8 | -61.4 | 0 | 0 | 112.3 | F60 C61 F66 I67 W68 Y90 | F60-M64 HydrophobicContact CD2-CG 4.28Å; F60-M64 HydrophobicContact CE1-CG 4.25Å; F60-M64 HydrophobicContact CE2-CG 3.9Å; F60-M64 HydrophobicContact CE2-SD 4.47Å; F60-M64 HydrophobicContact CZ-CG 3.88Å; F60-M64 WeakPolarHBondContact O-CB 3.38Å; F60-M64 VanDerWaalsContact O-CG 3.3Å; F60-M64 WeakPolarHBondContact O-CG 3.25Å; F60-M64 PolarHBondContact O-N 3.32Å; C61-M64 PolarHBondContact O-N 3.03Å; M64-F66 VanDerWaalsContact C-N 3.28Å; M64-F66 PolarHBondContact O-N 2.73Å; M64-I67 PolarHBondContact O-N 3.36Å; M64-I67 HydrophobicContact SD-CD1 4.27Å; M64-W68 PolarHBondContact O-N 2.86Å; M64-Y90 HydrophobicContact CB-CD2 4.33Å; M64-Y90 HydrophobicContact CB-CE2 3.35Å; M64-Y90 VanDerWaalsContact CB-OH 3.29Å; M64-Y90 WeakPolarHBondContact CB-OH 3.49Å; M64-Y90 HydrophobicContact CG-CE2 4.09Å |
| 65 | T | 89.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -36.9 | 174.5 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | Y26 E29 L30 C61 W68 L69 Y90 Y138 | Y26-T65 HydrophobicContact CD1-CG2 3.68Å; Y26-T65 HydrophobicContact CE1-CG2 4.41Å; E29-T65 HydrophobicContact CB-CG2 4.04Å; L30-T65 HydrophobicContact CD2-CG2 4Å; L30-T65 HydrophobicContact CG-CG2 3.86Å; C61-T65 WeakPolarHBondContact O-CB 3.16Å; C61-T65 PolarHBondContact O-N 3.41Å; C61-T65 PolarHBondContact O-OG1 3.38Å; T65-W68 PolarHBondContact O-N 2.96Å; T65-L69 WeakPolarHBondContact O-CB 3.5Å; T65-L69 PolarHBondContact O-N 3.04Å; T65-Y90 PolarHBondContact N-OH 3.43Å; T65-Y90 VanDerWaalsContact N-OH 3.16Å; T65-Y90 PolarHBondContact OG1-OH 2.94Å; T65-Y138 WeakPolarHBondContact OG1-CE1 3.47Å; T65-Y138 PolarHBondContact OG1-OH 3.36Å |
| 66 | F | 88.8 | Confident | 85.8 | Confident | 106 Ų | 106 | 49.3 Ų | 49.3 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 174.4 | -178.5 | -101.7 | 0 | 0 | 0 | 112.1 | L30 F62 V63 M64 L69 V70 | L30-F66 HydrophobicContact CD1-CD2 4.27Å; L30-F66 HydrophobicContact CD2-CB 3.94Å; F62-F66 VanDerWaalsContact O-CB 3.31Å; F62-F66 WeakPolarHBondContact O-CB 3.31Å; F62-F66 PolarHBondContact O-N 2.95Å; V63-F66 WeakPolarHBondContact O-CB 3.28Å; V63-F66 PolarHBondContact O-N 2.98Å; M64-F66 VanDerWaalsContact C-N 3.28Å; M64-F66 PolarHBondContact O-N 2.73Å; F66-L69 WeakPolarHBondContact O-CB 3.39Å; F66-L69 PolarHBondContact O-N 3.32Å; F66-V70 HydrophobicContact CD1-CG2 4.37Å; F66-V70 HydrophobicContact CE1-CG2 3.95Å; F66-V70 HydrophobicContact CE2-CG2 4.4Å; F66-V70 HydrophobicContact CZ-CG2 3.97Å; F66-V70 WeakPolarHBondContact O-CG2 3.4Å; F66-V70 PolarHBondContact O-N 3.36Å |
| 67 | I | 89.1 | Confident | 84.3 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 41% | 0.41 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 174.6 | -69.4 | 164.7 | 0 | 0 | 0 | 109.5 | V63 M64 L69 V70 V71 | V63-I67 HydrophobicContact CG1-CD1 3.93Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.24Å; V63-I67 PolarHBondContact O-N 3.06Å; M64-I67 PolarHBondContact O-N 3.36Å; M64-I67 HydrophobicContact SD-CD1 4.27Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 3.02Å; I67-V70 PolarHBondContact O-N 2.93Å; I67-V70 VanDerWaalsContact O-N 3.08Å; I67-V71 HydrophobicContact CG2-CG2 4.14Å; I67-V71 WeakPolarHBondContact O-CG2 3.12Å; I67-V71 PolarHBondContact O-N 3.24Å |
| 68 | W | 85.4 | Confident | 82.7 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 177.4 | -82.9 | 118.3 | 0 | 0 | 0 | 112.4 | Y26 M64 T65 V70 V71 F72 H77 W83 A86 D87 Y90 | Y26-W68 HydrophobicContact CD1-CB 4.44Å; Y26-W68 HydrophobicContact CE1-CB 3.6Å; Y26-W68 HydrophobicContact CE1-CG 4.41Å; M64-W68 PolarHBondContact O-N 2.86Å; T65-W68 PolarHBondContact O-N 2.96Å; W68-V70 VanDerWaalsContact C-N 3.28Å; W68-V70 PolarHBondContact O-N 2.84Å; W68-V71 PolarHBondContact O-N 3.05Å; W68-F72 HydrophobicContact CB-CD2 4.36Å; W68-F72 HydrophobicContact CB-CE2 4.48Å; W68-F72 HydrophobicContact CD2-CE2 4.03Å; W68-F72 AromaticContact CE3-CD2 3.8Å; W68-F72 HydrophobicContact CE3-CD2 3.8Å; W68-F72 AromaticContact CE3-CE2 3.12Å; W68-F72 HydrophobicContact CE3-CE2 3.12Å; W68-F72 AromaticContact CE3-CZ 3.79Å; W68-F72 HydrophobicContact CE3-CZ 3.79Å; W68-F72 HydrophobicContact CZ3-CD2 4.47Å; W68-F72 AromaticContact CZ3-CE2 3.5Å; W68-F72 HydrophobicContact CZ3-CE2 3.5Å; W68-F72 VanDerWaalsContact CZ3-CE2 3.5Å; W68-F72 AromaticContact CZ3-CZ 3.65Å; W68-F72 HydrophobicContact CZ3-CZ 3.65Å; W68-F72 WeakPolarHBondContact O-CB 3.3Å; W68-F72 WeakPolarHBondContact O-CD2 3.3Å; W68-F72 PolarHBondContact O-N 2.71Å; W68-H77 AromaticContact CZ3-NE2 3.75Å; W68-W83 AromaticContact CH2-CE3 3.95Å; W68-W83 HydrophobicContact CH2-CE3 3.95Å; W68-W83 HydrophobicContact CH2-CZ3 4.27Å; W68-W83 AromaticContact CZ3-CE3 3.76Å; W68-W83 HydrophobicContact CZ3-CE3 3.76Å; W68-W83 HydrophobicContact CZ3-CZ3 4Å; W68-A86 HydrophobicContact CH2-CB 3.85Å; W68-A86 HydrophobicContact CZ2-CB 4.18Å; W68-D87 HydrophobicContact CH2-CB 4.28Å; W68-Y90 AromaticContact CD1-CD1 3.48Å; W68-Y90 VanDerWaalsContact CD1-CD1 3.48Å; W68-Y90 AromaticContact CD1-CE1 3.66Å; W68-Y90 AromaticContact CD1-CG 3.87Å; W68-Y90 HydrophobicContact CG-CD1 4.5Å; W68-Y90 AromaticContact NE1-CD1 3.39Å; W68-Y90 AromaticContact NE1-CD2 3.91Å; W68-Y90 AromaticContact NE1-CG 3.33Å; W68-Y90 VanDerWaalsContact NE1-CG 3.33Å |
| 69 | L | 84.9 | Confident | 81.4 | Confident | 33 Ų | 33 | 50 Ų | 50 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.8 | -45.9 | 175.2 | -179.4 | 73.3 | 0 | 0 | 0 | 111.5 | V17 Y26 L30 T65 F66 I67 F72 A73 | V17-L69 HydrophobicContact CG1-CD1 3.81Å; Y26-L69 HydrophobicContact CG-CD1 4.38Å; L30-L69 HydrophobicContact CD1-CD2 3.68Å; T65-L69 WeakPolarHBondContact O-CB 3.5Å; T65-L69 PolarHBondContact O-N 3.04Å; F66-L69 WeakPolarHBondContact O-CB 3.39Å; F66-L69 PolarHBondContact O-N 3.32Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 3.02Å; L69-F72 PolarHBondContact O-N 3.26Å; L69-A73 WeakPolarHBondContact O-CB 3.3Å; L69-A73 PolarHBondContact O-N 3.49Å |
| 70 | V | 83.5 | Confident | 80.6 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 38% | 0.376 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 179.5 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | F66 I67 W68 F72 A73 C74 | F66-V70 HydrophobicContact CD1-CG2 4.37Å; F66-V70 HydrophobicContact CE1-CG2 3.95Å; F66-V70 HydrophobicContact CE2-CG2 4.4Å; F66-V70 HydrophobicContact CZ-CG2 3.97Å; F66-V70 WeakPolarHBondContact O-CG2 3.4Å; F66-V70 PolarHBondContact O-N 3.36Å; I67-V70 PolarHBondContact O-N 2.93Å; I67-V70 VanDerWaalsContact O-N 3.08Å; W68-V70 VanDerWaalsContact C-N 3.28Å; W68-V70 PolarHBondContact O-N 2.84Å; V70-F72 PolarHBondContact O-N 3.47Å; V70-A73 PolarHBondContact O-N 3.21Å; V70-C74 WeakPolarHBondContact O-CB 3.41Å; V70-C74 PolarHBondContact O-N 2.92Å; V70-C74 PolarHBondContact O-SG 2.86Å |
| 71 | V | 82.2 | Confident | 79.9 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 22% | 0.218 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 179.6 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | I67 W68 C74 G75 H77 W83 | I67-V71 HydrophobicContact CG2-CG2 4.14Å; I67-V71 WeakPolarHBondContact O-CG2 3.12Å; I67-V71 PolarHBondContact O-N 3.24Å; W68-V71 PolarHBondContact O-N 3.05Å; V71-C74 PolarHBondContact O-N 3.25Å; V71-G75 PolarHBondContact O-N 2.79Å; V71-H77 VanDerWaalsContact CB-CE1 3.44Å; V71-H77 WeakPolarHBondContact CB-CE1 3.47Å; V71-H77 WeakPolarHBondContact CG1-CE1 3.33Å; V71-H77 WeakPolarHBondContact CG1-NE2 3.22Å; V71-H77 PolarHBondContact O-CE1 3.11Å; V71-H77 PolarHBondContact O-ND1 3.5Å; V71-H77 VanDerWaalsContact O-ND1 3.11Å; V71-W83 HydrophobicContact CG1-CH2 4.31Å; V71-W83 HydrophobicContact CG1-CZ3 4.41Å |
| 72 | F | 75.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.4 | -40.5 | -178.1 | -80.3 | -65.5 | 0 | 0 | 0 | 110.4 | L11 V17 Y26 W68 L69 V70 C74 G75 H77 D87 | L11-F72 HydrophobicContact CD1-CE1 4.16Å; L11-F72 HydrophobicContact CD2-CD1 4.27Å; L11-F72 HydrophobicContact CD2-CE1 3.66Å; L11-F72 HydrophobicContact CG-CE1 4.46Å; V17-F72 HydrophobicContact CG1-CB 4.49Å; V17-F72 HydrophobicContact CG2-CB 4.23Å; Y26-F72 AromaticContact CE2-CD2 3.96Å; Y26-F72 HydrophobicContact CE2-CD2 3.96Å; Y26-F72 HydrophobicContact CE2-CE2 4.33Å; Y26-F72 AromaticContact CZ-CD2 3.94Å; Y26-F72 WeakPolarHBondContact OH-CD2 3.32Å; Y26-F72 WeakPolarHBondContact OH-CE2 3.2Å; W68-F72 HydrophobicContact CB-CD2 4.36Å; W68-F72 HydrophobicContact CB-CE2 4.48Å; W68-F72 HydrophobicContact CD2-CE2 4.03Å; W68-F72 AromaticContact CE3-CD2 3.8Å; W68-F72 HydrophobicContact CE3-CD2 3.8Å; W68-F72 AromaticContact CE3-CE2 3.12Å; W68-F72 HydrophobicContact CE3-CE2 3.12Å; W68-F72 AromaticContact CE3-CZ 3.79Å; W68-F72 HydrophobicContact CE3-CZ 3.79Å; W68-F72 HydrophobicContact CZ3-CD2 4.47Å; W68-F72 AromaticContact CZ3-CE2 3.5Å; W68-F72 HydrophobicContact CZ3-CE2 3.5Å; W68-F72 VanDerWaalsContact CZ3-CE2 3.5Å; W68-F72 AromaticContact CZ3-CZ 3.65Å; W68-F72 HydrophobicContact CZ3-CZ 3.65Å; W68-F72 WeakPolarHBondContact O-CB 3.3Å; W68-F72 WeakPolarHBondContact O-CD2 3.3Å; W68-F72 PolarHBondContact O-N 2.71Å; L69-F72 PolarHBondContact O-N 3.26Å; V70-F72 PolarHBondContact O-N 3.47Å; F72-C74 VanDerWaalsContact C-N 3.33Å; F72-C74 PolarHBondContact O-N 3.38Å; F72-G75 PolarHBondContact O-N 3.19Å; F72-G75 VanDerWaalsContact O-N 3.11Å; F72-H77 WeakPolarHBondContact CA-CE1 3.12Å; F72-H77 WeakPolarHBondContact CA-ND1 3.34Å; F72-H77 AromaticContact CD1-CE1 3.1Å; F72-H77 WeakPolarHBondContact CD1-CE1 3.04Å; F72-H77 AromaticContact CD1-CG 3.88Å; F72-H77 AromaticContact CD1-ND1 3.18Å; F72-H77 WeakPolarHBondContact CD1-ND1 3.33Å; F72-H77 AromaticContact CD1-NE2 3.83Å; F72-H77 AromaticContact CD2-CE1 3.69Å; F72-H77 HydrophobicContact CE1-CB 4.47Å; F72-H77 AromaticContact CE1-CD2 3.86Å; F72-H77 AromaticContact CE1-CE1 3.4Å; F72-H77 VanDerWaalsContact CE1-CE1 3.4Å; F72-H77 WeakPolarHBondContact CE1-CE1 3.4Å; F72-H77 AromaticContact CE1-CG 3.8Å; F72-H77 AromaticContact CE1-ND1 3.58Å; F72-H77 AromaticContact CE1-NE2 3.65Å; F72-H77 AromaticContact CE2-CE1 3.99Å; F72-H77 AromaticContact CG-CE1 3.22Å; F72-H77 WeakPolarHBondContact CG-CE1 3.48Å; F72-H77 AromaticContact CG-ND1 3.72Å; F72-H77 AromaticContact CZ-CE1 3.84Å; F72-H77 AromaticContact CZ-NE2 3.76Å; F72-H77 PolarHBondContact N-CE1 2.81Å; F72-D87 HydrophobicContact CZ-CB 4.25Å |
| 73 | A | 74 | Confident | 79.1 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G14 L69 V70 G75 | G14-A73 WeakPolarHBondContact CA-O 3.43Å; G14-A73 PolarHBondContact N-O 2.85Å; L69-A73 WeakPolarHBondContact O-CB 3.3Å; L69-A73 PolarHBondContact O-N 3.49Å; V70-A73 PolarHBondContact O-N 3.21Å; A73-G75 PolarHBondContact O-N 3.29Å |
| 74 | C | 76.3 | Confident | 78.6 | Confident | 96 Ų | 96 | 49.4 Ų | 49.4 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -10.6 | 177.2 | -70.1 | 0 | 0 | 0 | 0 | 114 | V70 V71 F72 S76 | V70-C74 WeakPolarHBondContact O-CB 3.41Å; V70-C74 PolarHBondContact O-N 2.92Å; V70-C74 PolarHBondContact O-SG 2.86Å; V71-C74 PolarHBondContact O-N 3.25Å; F72-C74 VanDerWaalsContact C-N 3.33Å; F72-C74 PolarHBondContact O-N 3.38Å; C74-S76 PolarHBondContact O-N 2.98Å |
| 75 | G | 67.8 | Low | 78.4 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 16.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V71 F72 A73 H77 | V71-G75 PolarHBondContact O-N 2.79Å; F72-G75 PolarHBondContact O-N 3.19Å; F72-G75 VanDerWaalsContact O-N 3.11Å; A73-G75 PolarHBondContact O-N 3.29Å; G75-H77 PolarHBondContact O-N 3.42Å |
| 76 | S | 64.9 | Low | 78.3 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 62% | 0.615 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 6.7 | -174.8 | -169.1 | 0 | 0 | 0 | 0 | 114.5 | C74 | C74-S76 PolarHBondContact O-N 2.98Š|
| 77 | H | 63.6 | Low | 78.3 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.028 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -13.8 | -165.7 | -67.8 | 113.6 | 0 | 0 | 0 | 115.4 | L11 W68 V71 F72 G75 N79 S80 W83 | L11-H77 HydrophobicContact CD1-CB 3.66Å; W68-H77 AromaticContact CZ3-NE2 3.75Å; V71-H77 VanDerWaalsContact CB-CE1 3.44Å; V71-H77 WeakPolarHBondContact CB-CE1 3.47Å; V71-H77 WeakPolarHBondContact CG1-CE1 3.33Å; V71-H77 WeakPolarHBondContact CG1-NE2 3.22Å; V71-H77 PolarHBondContact O-CE1 3.11Å; V71-H77 PolarHBondContact O-ND1 3.5Å; V71-H77 VanDerWaalsContact O-ND1 3.11Å; F72-H77 WeakPolarHBondContact CA-CE1 3.12Å; F72-H77 WeakPolarHBondContact CA-ND1 3.34Å; F72-H77 AromaticContact CD1-CE1 3.1Å; F72-H77 WeakPolarHBondContact CD1-CE1 3.04Å; F72-H77 AromaticContact CD1-CG 3.88Å; F72-H77 AromaticContact CD1-ND1 3.18Å; F72-H77 WeakPolarHBondContact CD1-ND1 3.33Å; F72-H77 AromaticContact CD1-NE2 3.83Å; F72-H77 AromaticContact CD2-CE1 3.69Å; F72-H77 HydrophobicContact CE1-CB 4.47Å; F72-H77 AromaticContact CE1-CD2 3.86Å; F72-H77 AromaticContact CE1-CE1 3.4Å; F72-H77 VanDerWaalsContact CE1-CE1 3.4Å; F72-H77 WeakPolarHBondContact CE1-CE1 3.4Å; F72-H77 AromaticContact CE1-CG 3.8Å; F72-H77 AromaticContact CE1-ND1 3.58Å; F72-H77 AromaticContact CE1-NE2 3.65Å; F72-H77 AromaticContact CE2-CE1 3.99Å; F72-H77 AromaticContact CG-CE1 3.22Å; F72-H77 WeakPolarHBondContact CG-CE1 3.48Å; F72-H77 AromaticContact CG-ND1 3.72Å; F72-H77 AromaticContact CZ-CE1 3.84Å; F72-H77 AromaticContact CZ-NE2 3.76Å; F72-H77 PolarHBondContact N-CE1 2.81Å; G75-H77 PolarHBondContact O-N 3.42Å; H77-N79 PolarHBondContact O-N 3.43Å; H77-S80 PolarHBondContact O-N 3.32Å; H77-W83 HydrophobicContact CB-CG 4.34Å; H77-W83 AromaticContact CD2-CD2 3.38Å; H77-W83 AromaticContact CD2-CE2 3.86Å; H77-W83 AromaticContact CD2-CE3 3.27Å; H77-W83 AromaticContact CD2-CG 3.78Å; H77-W83 AromaticContact CD2-CZ3 3.61Å; H77-W83 AromaticContact NE2-CE3 3.64Å; H77-W83 AromaticContact NE2-CZ3 3.67Å; H77-W83 PolarHBondContact O-NE1 2.98Å |
| 78 | G | 61.1 | Low | 78.2 | Confident | 74 Ų | 74 | 42.5 Ų | 42.5 | 76% | 0.763 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 21.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S80 | G78-S80 VanDerWaalsContact C-N 3.27Å; G78-S80 PolarHBondContact O-N 3Å |
| 79 | N | 64.6 | Low | 78.6 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 37.6 | 180 | -146.3 | 49.1 | 0 | 0 | 0 | 114.9 | G9 H10 L11 H77 F152 | G9-N79 PolarHBondContact O-ND2 3.43Å; H10-N79 WeakPolarHBondContact CA-OD1 3.48Å; L11-N79 PolarHBondContact N-OD1 3.25Å; H77-N79 PolarHBondContact O-N 3.43Å; N79-F152 HydrophobicContact CB-CE1 4.44Å; N79-F152 WeakPolarHBondContact ND2-CE1 3.19Å; N79-F152 VanDerWaalsContact O-CE1 3.26Å; N79-F152 WeakPolarHBondContact O-CE1 3.45Å; N79-F152 WeakPolarHBondContact OD1-CZ 3.5Å |
| 80 | S | 78.9 | Confident | 78.9 | Confident | 60 Ų | 60 | 45 Ų | 45 | 42% | 0.42 | 30% | 0.303 | S | S | . | . | trans | -88.4 | 139.4 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | H77 G78 G82 W83 A84 | H77-S80 PolarHBondContact O-N 3.32Å; G78-S80 VanDerWaalsContact C-N 3.27Å; G78-S80 PolarHBondContact O-N 3Å; S80-G82 PolarHBondContact O-N 3.32Å; S80-G82 VanDerWaalsContact O-N 3.11Å; S80-G82 PolarHBondContact OG-N 2.89Å; S80-W83 PolarHBondContact O-N 3.47Å; S80-A84 PolarHBondContact O-N 2.85Å | ||
| 81 | S | 79.3 | Confident | 79.4 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.4 | -29.5 | 172.3 | -176 | 0 | 0 | 0 | 0 | 112.5 | W83 A84 A85 W149 | S81-W83 PolarHBondContact O-N 3.28Å; S81-A84 PolarHBondContact O-N 3.07Å; S81-A85 WeakPolarHBondContact O-CB 3.34Å; S81-A85 PolarHBondContact O-N 3Å; S81-W149 PolarHBondContact OG-NE1 3.37Å |
| 82 | G | 83.2 | Confident | 79.9 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | S80 A85 A86 | S80-G82 PolarHBondContact O-N 3.32Å; S80-G82 VanDerWaalsContact O-N 3.11Å; S80-G82 PolarHBondContact OG-N 2.89Å; G82-A85 PolarHBondContact O-N 3.04Å; G82-A86 WeakPolarHBondContact O-CB 3.32Å; G82-A86 PolarHBondContact O-N 3.42Å |
| 83 | W | 84.3 | Confident | 80.8 | Confident | 100 Ų | 100 | 47.9 Ų | 47.9 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -73.7 | -35.3 | 176.5 | -73 | 109.7 | 0 | 0 | 0 | 111.8 | W68 V71 H77 S80 S81 A86 D87 | W68-W83 AromaticContact CH2-CE3 3.95Å; W68-W83 HydrophobicContact CH2-CE3 3.95Å; W68-W83 HydrophobicContact CH2-CZ3 4.27Å; W68-W83 AromaticContact CZ3-CE3 3.76Å; W68-W83 HydrophobicContact CZ3-CE3 3.76Å; W68-W83 HydrophobicContact CZ3-CZ3 4Å; V71-W83 HydrophobicContact CG1-CH2 4.31Å; V71-W83 HydrophobicContact CG1-CZ3 4.41Å; H77-W83 HydrophobicContact CB-CG 4.34Å; H77-W83 AromaticContact CD2-CD2 3.38Å; H77-W83 AromaticContact CD2-CE2 3.86Å; H77-W83 AromaticContact CD2-CE3 3.27Å; H77-W83 AromaticContact CD2-CG 3.78Å; H77-W83 AromaticContact CD2-CZ3 3.61Å; H77-W83 AromaticContact NE2-CE3 3.64Å; H77-W83 AromaticContact NE2-CZ3 3.67Å; H77-W83 PolarHBondContact O-NE1 2.98Å; S80-W83 PolarHBondContact O-N 3.47Å; S81-W83 PolarHBondContact O-N 3.28Å; W83-A86 PolarHBondContact O-N 2.86Å; W83-D87 VanDerWaalsContact O-CB 3.28Å; W83-D87 WeakPolarHBondContact O-CB 3.39Å; W83-D87 PolarHBondContact O-N 2.97Å |
| 84 | A | 82.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S80 S81 F88 W149 F152 | S80-A84 PolarHBondContact O-N 2.85Å; S81-A84 PolarHBondContact O-N 3.07Å; A84-F88 PolarHBondContact O-N 3.26Å; A84-F88 VanDerWaalsContact O-N 3.09Å; A84-W149 HydrophobicContact CB-CB 4.16Å; A84-W149 HydrophobicContact CB-CG 4.45Å; A84-F152 HydrophobicContact CB-CD2 3.89Å; A84-F152 HydrophobicContact CB-CE2 3.81Å |
| 85 | A | 86.6 | Confident | 82.7 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 13% | 0.132 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S81 G82 F88 I89 W149 | S81-A85 WeakPolarHBondContact O-CB 3.34Å; S81-A85 PolarHBondContact O-N 3Å; G82-A85 PolarHBondContact O-N 3.04Å; A85-F88 PolarHBondContact O-N 2.95Å; A85-I89 VanDerWaalsContact O-CG1 3.28Å; A85-I89 WeakPolarHBondContact O-CG1 3.48Å; A85-I89 PolarHBondContact O-N 3.01Å; A85-W149 HydrophobicContact CB-CD2 4.17Å; A85-W149 HydrophobicContact CB-CG 4.48Å; A85-W149 HydrophobicContact CB-CZ2 4.01Å |
| 86 | A | 88.5 | Confident | 84 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W68 G82 W83 I89 Y90 | W68-A86 HydrophobicContact CH2-CB 3.85Å; W68-A86 HydrophobicContact CZ2-CB 4.18Å; G82-A86 WeakPolarHBondContact O-CB 3.32Å; G82-A86 PolarHBondContact O-N 3.42Å; W83-A86 PolarHBondContact O-N 2.86Å; A86-I89 PolarHBondContact O-N 2.76Å; A86-Y90 WeakPolarHBondContact O-CB 3.25Å; A86-Y90 PolarHBondContact O-N 3.44Å |
| 87 | D | 87.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 172.7 | 171.8 | 84.9 | 0 | 0 | 0 | 111.5 | Y26 W68 F72 W83 I89 Y90 H91 S145 R148 | Y26-D87 PolarHBondContact OH-OD1 2.93Å; W68-D87 HydrophobicContact CH2-CB 4.28Å; F72-D87 HydrophobicContact CZ-CB 4.25Å; W83-D87 VanDerWaalsContact O-CB 3.28Å; W83-D87 WeakPolarHBondContact O-CB 3.39Å; W83-D87 PolarHBondContact O-N 2.97Å; D87-I89 PolarHBondContact O-N 3.46Å; D87-Y90 PolarHBondContact O-N 2.91Å; D87-H91 PolarHBondContact O-N 3.2Å; D87-H91 PolarHBondContact O-ND1 3.31Å; D87-H91 IonicContact OD1-CE1 2.81Å; D87-H91 PolarHBondContact OD1-CE1 3.42Å; D87-H91 IonicContact OD1-ND1 3.46Å; D87-H91 PolarHBondContact OD1-ND1 3.44Å; D87-S145 WeakPolarHBondContact OD2-CB 3.48Å; D87-S145 PolarHBondContact OD2-OG 2.98Å; D87-R148 IonicContact OD1-NH2 3.79Å; D87-R148 PolarHBondContact OD1-NH2 3.41Å; D87-R148 IonicContact OD2-CZ 3.16Å; D87-R148 IonicContact OD2-NH2 3.35Å; D87-R148 PolarHBondContact OD2-NH2 3.13Å |
| 88 | F | 88.4 | Confident | 86.8 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 19% | 0.193 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 175.8 | 165.5 | -107.7 | 0 | 0 | 0 | 112.9 | A84 A85 Y90 H91 L92 T142 A146 W149 | A84-F88 PolarHBondContact O-N 3.26Å; A84-F88 VanDerWaalsContact O-N 3.09Å; A85-F88 PolarHBondContact O-N 2.95Å; F88-Y90 VanDerWaalsContact C-N 3.33Å; F88-Y90 PolarHBondContact O-N 3.36Å; F88-H91 PolarHBondContact O-N 3.47Å; F88-L92 HydrophobicContact CZ-CD2 4.22Å; F88-L92 WeakPolarHBondContact O-CB 3.37Å; F88-L92 PolarHBondContact O-N 3.5Å; F88-T142 HydrophobicContact CD2-CG2 3.87Å; F88-T142 WeakPolarHBondContact CD2-O 3.36Å; F88-T142 HydrophobicContact CE2-CG2 3.58Å; F88-A146 HydrophobicContact CD2-CB 3.72Å; F88-A146 HydrophobicContact CE2-CB 3.68Å; F88-W149 HydrophobicContact CD1-CE3 4.02Å; F88-W149 HydrophobicContact CD1-CZ3 4.07Å; F88-W149 HydrophobicContact CE1-CZ3 4.26Å; F88-W149 HydrophobicContact CG-CE3 4.49Å |
| 89 | I | 92 | Very high | 88.4 | Confident | 91 Ų | 91 | 43.9 Ų | 43.9 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -42.7 | -179.1 | -69 | 166 | 0 | 0 | 0 | 110.7 | A85 A86 D87 L92 I93 | A85-I89 VanDerWaalsContact O-CG1 3.28Å; A85-I89 WeakPolarHBondContact O-CG1 3.48Å; A85-I89 PolarHBondContact O-N 3.01Å; A86-I89 PolarHBondContact O-N 2.76Å; D87-I89 PolarHBondContact O-N 3.46Å; I89-L92 PolarHBondContact O-N 3.41Å; I89-I93 HydrophobicContact CG2-CD1 3.82Å; I89-I93 VanDerWaalsContact O-CG1 3.32Å; I89-I93 WeakPolarHBondContact O-CG1 3.43Å; I89-I93 PolarHBondContact O-N 3.42Å |
| 90 | Y | 92.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 177.2 | 169.2 | -105.7 | 0 | 0 | 0 | 111.5 | C61 M64 T65 W68 A86 D87 F88 L92 I93 A94 | C61-Y90 PolarHBondContact O-OH 3.37Å; M64-Y90 HydrophobicContact CB-CD2 4.33Å; M64-Y90 HydrophobicContact CB-CE2 3.35Å; M64-Y90 VanDerWaalsContact CB-OH 3.29Å; M64-Y90 WeakPolarHBondContact CB-OH 3.49Å; M64-Y90 HydrophobicContact CG-CE2 4.09Å; T65-Y90 PolarHBondContact N-OH 3.43Å; T65-Y90 VanDerWaalsContact N-OH 3.16Å; T65-Y90 PolarHBondContact OG1-OH 2.94Å; W68-Y90 AromaticContact CD1-CD1 3.48Å; W68-Y90 VanDerWaalsContact CD1-CD1 3.48Å; W68-Y90 AromaticContact CD1-CE1 3.66Å; W68-Y90 AromaticContact CD1-CG 3.87Å; W68-Y90 HydrophobicContact CG-CD1 4.5Å; W68-Y90 AromaticContact NE1-CD1 3.39Å; W68-Y90 AromaticContact NE1-CD2 3.91Å; W68-Y90 AromaticContact NE1-CG 3.33Å; W68-Y90 VanDerWaalsContact NE1-CG 3.33Å; A86-Y90 WeakPolarHBondContact O-CB 3.25Å; A86-Y90 PolarHBondContact O-N 3.44Å; D87-Y90 PolarHBondContact O-N 2.91Å; F88-Y90 VanDerWaalsContact C-N 3.33Å; F88-Y90 PolarHBondContact O-N 3.36Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 3.48Å; Y90-I93 PolarHBondContact O-N 2.84Å; Y90-A94 WeakPolarHBondContact O-CB 3.33Å; Y90-A94 PolarHBondContact O-N 3.23Å |
| 91 | H | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | -179.1 | -69.3 | 86 | 0 | 0 | 0 | 111.5 | Y26 E29 D87 F88 I93 A94 V95 Y138 H141 T142 | Y26-H91 AromaticContact CE1-CE1 3.73Å; Y26-H91 AromaticContact CE1-NE2 3.58Å; Y26-H91 AromaticContact CZ-CE1 3.75Å; Y26-H91 AromaticContact CZ-NE2 3.96Å; Y26-H91 PolarHBondContact OH-CE1 3.34Å; E29-H91 IonicContact OE2-NE2 2.71Å; D87-H91 PolarHBondContact O-N 3.2Å; D87-H91 PolarHBondContact O-ND1 3.31Å; D87-H91 IonicContact OD1-CE1 2.81Å; D87-H91 PolarHBondContact OD1-CE1 3.42Å; D87-H91 IonicContact OD1-ND1 3.46Å; D87-H91 PolarHBondContact OD1-ND1 3.44Å; F88-H91 PolarHBondContact O-N 3.47Å; H91-I93 PolarHBondContact O-N 3.31Å; H91-A94 WeakPolarHBondContact O-CB 3.45Å; H91-A94 PolarHBondContact O-N 2.69Å; H91-V95 WeakPolarHBondContact O-CG2 3.22Å; H91-V95 PolarHBondContact O-N 3.46Å; H91-Y138 AromaticContact CD2-CD1 3.89Å; H91-H141 AromaticContact CD2-CD2 3.84Å; H91-H141 AromaticContact CD2-CE1 3.68Å; H91-H141 AromaticContact CD2-CG 3.31Å; H91-H141 AromaticContact CD2-ND1 3.21Å; H91-H141 PolarHBondContact CD2-ND1 3.34Å; H91-H141 AromaticContact CE1-CE1 3.49Å; H91-H141 PolarHBondContact CE1-CE1 3.22Å; H91-H141 VanDerWaalsContact CE1-CE1 3.49Å; H91-H141 AromaticContact CE1-ND1 3.84Å; H91-H141 AromaticContact CE1-NE2 3.64Å; H91-H141 AromaticContact CG-CG 3.93Å; H91-H141 AromaticContact NE2-CD2 3.86Å; H91-H141 AromaticContact NE2-CE1 3.04Å; H91-H141 PolarHBondContact NE2-CE1 2.97Å; H91-H141 AromaticContact NE2-CG 3.55Å; H91-H141 AromaticContact NE2-ND1 3.02Å; H91-H141 PolarHBondContact NE2-ND1 3.34Å; H91-H141 AromaticContact NE2-NE2 3.6Å; H91-T142 VanDerWaalsContact CB-OG1 3.28Å; H91-T142 WeakPolarHBondContact CB-OG1 3.46Å; H91-T142 PolarHBondContact O-OG1 3.29Å |
| 92 | L | 93.5 | Very high | 91.3 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 174.7 | -178 | 66.2 | 0 | 0 | 0 | 112.2 | F88 I89 Y90 A94 V95 V96 T142 | F88-L92 HydrophobicContact CZ-CD2 4.22Å; F88-L92 WeakPolarHBondContact O-CB 3.37Å; F88-L92 PolarHBondContact O-N 3.5Å; I89-L92 PolarHBondContact O-N 3.41Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 3.48Å; L92-A94 VanDerWaalsContact C-N 3.34Å; L92-V95 PolarHBondContact O-N 3.08Å; L92-V96 PolarHBondContact O-N 2.85Å; L92-T142 HydrophobicContact CB-CG2 3.95Å; L92-T142 HydrophobicContact CD1-CG2 4.07Å; L92-T142 PolarHBondContact N-OG1 3.3Å |
| 93 | I | 94.3 | Very high | 91.9 | Very high | 76 Ų | 76 | 41 Ų | 41 | 39% | 0.39 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.3 | -67.1 | 167.5 | 0 | 0 | 0 | 110.2 | I89 Y90 H91 V95 V96 F97 | I89-I93 HydrophobicContact CG2-CD1 3.82Å; I89-I93 VanDerWaalsContact O-CG1 3.32Å; I89-I93 WeakPolarHBondContact O-CG1 3.43Å; I89-I93 PolarHBondContact O-N 3.42Å; Y90-I93 PolarHBondContact O-N 2.84Å; H91-I93 PolarHBondContact O-N 3.31Å; I93-V95 VanDerWaalsContact C-N 3.33Å; I93-V95 PolarHBondContact O-N 3.2Å; I93-V96 PolarHBondContact O-N 2.94Å; I93-F97 HydrophobicContact CG2-CD1 4.01Å; I93-F97 HydrophobicContact CG2-CE1 3.91Å; I93-F97 HydrophobicContact CG2-CG 4.38Å; I93-F97 HydrophobicContact CG2-CZ 4.17Å; I93-F97 WeakPolarHBondContact O-CB 3.17Å; I93-F97 WeakPolarHBondContact O-CD1 3.27Å; I93-F97 PolarHBondContact O-N 2.94Å |
| 94 | A | 93.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y90 H91 L92 V96 F97 Y98 Y138 | Y90-A94 WeakPolarHBondContact O-CB 3.33Å; Y90-A94 PolarHBondContact O-N 3.23Å; H91-A94 WeakPolarHBondContact O-CB 3.45Å; H91-A94 PolarHBondContact O-N 2.69Å; L92-A94 VanDerWaalsContact C-N 3.34Å; A94-V96 PolarHBondContact O-N 3.29Å; A94-F97 PolarHBondContact O-N 2.85Å; A94-Y98 WeakPolarHBondContact O-CB 3.36Å; A94-Y98 PolarHBondContact O-N 3.5Å; A94-Y138 HydrophobicContact CB-CD1 3.9Å; A94-Y138 HydrophobicContact CB-CD2 4.15Å; A94-Y138 HydrophobicContact CB-CE1 4.13Å; A94-Y138 HydrophobicContact CB-CE2 4.38Å; A94-Y138 HydrophobicContact CB-CG 3.93Å |
| 95 | V | 95.2 | Very high | 92.7 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.2 | -50.1 | 174 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | H91 L92 I93 F97 Y98 L99 T135 Y138 F139 T142 | H91-V95 WeakPolarHBondContact O-CG2 3.22Å; H91-V95 PolarHBondContact O-N 3.46Å; L92-V95 PolarHBondContact O-N 3.08Å; I93-V95 VanDerWaalsContact C-N 3.33Å; I93-V95 PolarHBondContact O-N 3.2Å; V95-F97 VanDerWaalsContact C-N 3.32Å; V95-F97 PolarHBondContact O-N 3.21Å; V95-Y98 PolarHBondContact O-N 2.97Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 PolarHBondContact O-N 3.05Å; V95-T135 HydrophobicContact CG1-CG2 4.4Å; V95-Y138 WeakPolarHBondContact CG2-O 3.44Å; V95-F139 HydrophobicContact CG1-CB 4.36Å; V95-F139 HydrophobicContact CG1-CD2 4.27Å; V95-F139 VanDerWaalsContact CG2-CA 3.43Å; V95-F139 HydrophobicContact CG2-CB 3.93Å; V95-F139 VanDerWaalsContact CG2-N 3.29Å; V95-T142 WeakPolarHBondContact CG2-OG1 3.25Å |
| 96 | V | 95.8 | Very high | 93 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 53% | 0.533 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.1 | -42.7 | -178 | 175 | 0 | 0 | 0 | 0 | 110.6 | L92 I93 A94 S100 | L92-V96 PolarHBondContact O-N 2.85Å; I93-V96 PolarHBondContact O-N 2.94Å; A94-V96 PolarHBondContact O-N 3.29Å; V96-S100 WeakPolarHBondContact O-CB 3.47Å; V96-S100 PolarHBondContact O-N 2.98Å |
| 97 | F | 93.8 | Very high | 93.1 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.9 | -48.9 | 179.3 | -84 | 31.7 | 0 | 0 | 0 | 111.2 | V57 F60 I93 A94 V95 L99 S100 A101 | V57-F97 HydrophobicContact CG1-CB 3.83Å; V57-F97 HydrophobicContact CG2-CB 4.26Å; V57-F97 HydrophobicContact CG2-CD2 4.28Å; F60-F97 HydrophobicContact CD1-CD2 4.45Å; F60-F97 HydrophobicContact CE1-CE2 4.49Å; I93-F97 HydrophobicContact CG2-CD1 4.01Å; I93-F97 HydrophobicContact CG2-CE1 3.91Å; I93-F97 HydrophobicContact CG2-CG 4.38Å; I93-F97 HydrophobicContact CG2-CZ 4.17Å; I93-F97 WeakPolarHBondContact O-CB 3.17Å; I93-F97 WeakPolarHBondContact O-CD1 3.27Å; I93-F97 PolarHBondContact O-N 2.94Å; A94-F97 PolarHBondContact O-N 2.85Å; V95-F97 VanDerWaalsContact C-N 3.32Å; V95-F97 PolarHBondContact O-N 3.21Å; F97-L99 VanDerWaalsContact C-N 3.34Å; F97-L99 PolarHBondContact O-N 3.26Å; F97-S100 WeakPolarHBondContact O-CB 3.44Å; F97-S100 PolarHBondContact O-N 3.25Å; F97-A101 PolarHBondContact O-N 3.35Å |
| 98 | Y | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -32.7 | 179.3 | -107.6 | -85.4 | 0 | 0 | 0 | 113 | G33 V36 V57 S58 C61 A94 V95 A101 S102 T134 T135 Y138 | G33-Y98 WeakPolarHBondContact CA-OH 3.43Å; V36-Y98 HydrophobicContact CG2-CE1 4.42Å; V57-Y98 HydrophobicContact CG1-CD2 4.04Å; V57-Y98 HydrophobicContact CG1-CE2 4.35Å; V57-Y98 HydrophobicContact CG1-CG 4.38Å; S58-Y98 WeakPolarHBondContact CA-OH 3.23Å; S58-Y98 WeakPolarHBondContact CB-OH 3.28Å; S58-Y98 PolarHBondContact OG-OH 3.46Å; C61-Y98 HydrophobicContact CB-CD2 4.09Å; C61-Y98 HydrophobicContact CB-CE2 3.54Å; A94-Y98 WeakPolarHBondContact O-CB 3.36Å; A94-Y98 PolarHBondContact O-N 3.5Å; V95-Y98 PolarHBondContact O-N 2.97Å; Y98-A101 PolarHBondContact O-N 2.92Å; Y98-S102 VanDerWaalsContact O-CB 3.28Å; Y98-S102 WeakPolarHBondContact O-CB 3.5Å; Y98-S102 PolarHBondContact O-N 3.4Å; Y98-S102 PolarHBondContact O-OG 3.22Å; Y98-T134 HydrophobicContact CD1-CG2 3.77Å; Y98-T134 HydrophobicContact CD2-CG2 4.24Å; Y98-T134 HydrophobicContact CE1-CG2 3.42Å; Y98-T134 VanDerWaalsContact CE1-CG2 3.42Å; Y98-T134 HydrophobicContact CE2-CG2 3.91Å; Y98-T134 HydrophobicContact CG-CG2 4.16Å; Y98-T135 PolarHBondContact O-OG1 3.49Å; Y98-Y138 AromaticContact CD2-CD2 3.77Å; Y98-Y138 HydrophobicContact CD2-CD2 3.77Å; Y98-Y138 AromaticContact CD2-CE2 3.44Å; Y98-Y138 HydrophobicContact CD2-CE2 3.44Å; Y98-Y138 VanDerWaalsContact CD2-CE2 3.44Å; Y98-Y138 HydrophobicContact CE2-CD2 4.26Å; Y98-Y138 AromaticContact CE2-CE2 3.49Å; Y98-Y138 HydrophobicContact CE2-CE2 3.49Å; Y98-Y138 VanDerWaalsContact CE2-CE2 3.49Å; Y98-Y138 HydrophobicContact CG-CD2 4.18Å; Y98-Y138 HydrophobicContact CG-CE2 4.2Å |
| 99 | L | 94.8 | Very high | 93.1 | Very high | 83 Ų | 83 | 39.3 Ų | 39.3 | 44% | 0.435 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 171.7 | -177 | 64 | 0 | 0 | 0 | 110.7 | V95 F97 S102 V103 T135 | V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 PolarHBondContact O-N 3.05Å; F97-L99 VanDerWaalsContact C-N 3.34Å; F97-L99 PolarHBondContact O-N 3.26Å; L99-S102 PolarHBondContact O-N 3.23Å; L99-V103 WeakPolarHBondContact O-CG2 3.44Å; L99-V103 PolarHBondContact O-N 3.33Å; L99-T135 HydrophobicContact CB-CG2 4Å; L99-T135 HydrophobicContact CD1-CG2 4.37Å |
| 100 | S | 95.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | W53 V96 F97 V103 A104 | W53-S100 PolarHBondContact NE1-OG 2.58Å; V96-S100 WeakPolarHBondContact O-CB 3.47Å; V96-S100 PolarHBondContact O-N 2.98Å; F97-S100 WeakPolarHBondContact O-CB 3.44Å; F97-S100 PolarHBondContact O-N 3.25Å; S100-V103 PolarHBondContact O-N 3.12Å; S100-A104 WeakPolarHBondContact O-CB 3.5Å; S100-A104 PolarHBondContact O-N 3.38Å; S100-A104 VanDerWaalsContact O-N 3.1Å |
| 101 | A | 94.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V54 V57 F97 Y98 V103 A104 L105 | V54-A101 HydrophobicContact CB-CB 4.43Å; V54-A101 HydrophobicContact CG1-CB 4.27Å; V54-A101 HydrophobicContact CG2-CB 4.35Å; V54-A101 WeakPolarHBondContact CG2-O 3.1Å; V57-A101 HydrophobicContact CB-CB 4.01Å; V57-A101 HydrophobicContact CG1-CB 3.86Å; V57-A101 HydrophobicContact CG2-CB 4.33Å; F97-A101 PolarHBondContact O-N 3.35Å; Y98-A101 PolarHBondContact O-N 2.92Å; A101-V103 PolarHBondContact O-N 3.47Å; A101-A104 PolarHBondContact O-N 2.71Å; A101-L105 VanDerWaalsContact O-CB 3.32Å; A101-L105 WeakPolarHBondContact O-CB 3.4Å; A101-L105 PolarHBondContact O-N 3.46Å |
| 102 | S | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 180 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | Y98 L99 L105 A106 S131 T135 | Y98-S102 VanDerWaalsContact O-CB 3.28Å; Y98-S102 WeakPolarHBondContact O-CB 3.5Å; Y98-S102 PolarHBondContact O-N 3.4Å; Y98-S102 PolarHBondContact O-OG 3.22Å; L99-S102 PolarHBondContact O-N 3.23Å; S102-L105 PolarHBondContact O-N 2.88Å; S102-A106 VanDerWaalsContact O-CB 3.31Å; S102-A106 WeakPolarHBondContact O-CB 3.33Å; S102-A106 PolarHBondContact O-N 2.9Å; S102-S131 WeakPolarHBondContact CA-OG 3.47Å; S102-S131 WeakPolarHBondContact CB-OG 3.48Å; S102-S131 VanDerWaalsContact OG-C 3.25Å; S102-S131 VanDerWaalsContact OG-CB 3.27Å; S102-S131 WeakPolarHBondContact OG-CB 3.28Å; S102-S131 PolarHBondContact OG-O 3.03Å; S102-S131 PolarHBondContact OG-OG 3.47Å; S102-T135 PolarHBondContact OG-OG1 3.39Å |
| 103 | V | 94.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 52 Ų | 52 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L99 S100 A101 A106 K107 | L99-V103 WeakPolarHBondContact O-CG2 3.44Å; L99-V103 PolarHBondContact O-N 3.33Å; S100-V103 PolarHBondContact O-N 3.12Å; A101-V103 PolarHBondContact O-N 3.47Å; V103-A106 PolarHBondContact O-N 3.26Å; V103-K107 PolarHBondContact O-N 2.96Å |
| 104 | A | 92.6 | Very high | 90.1 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | P50 V54 S100 A101 K107 V108 | P50-A104 HydrophobicContact CB-CB 3.95Å; P50-A104 HydrophobicContact CG-CB 4.07Å; V54-A104 HydrophobicContact CG2-CB 4.21Å; S100-A104 WeakPolarHBondContact O-CB 3.5Å; S100-A104 PolarHBondContact O-N 3.38Å; S100-A104 VanDerWaalsContact O-N 3.1Å; A101-A104 PolarHBondContact O-N 2.71Å; A104-K107 WeakPolarHBondContact O-CB 3.45Å; A104-K107 PolarHBondContact O-N 3Å; A104-V108 WeakPolarHBondContact O-CG2 3.36Å; A104-V108 PolarHBondContact O-N 3.3Å; A104-V108 VanDerWaalsContact O-N 3.13Å |
| 105 | L | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 178.1 | -169.7 | 62.7 | 0 | 0 | 0 | 111.3 | V40 V54 A101 S102 K107 V108 T109 A127 V128 | V40-L105 HydrophobicContact CG2-CD1 4.06Å; V40-L105 HydrophobicContact CG2-CD2 4.48Å; V54-L105 HydrophobicContact CG1-CB 4.34Å; V54-L105 HydrophobicContact CG1-CD1 4.31Å; V54-L105 HydrophobicContact CG1-CD2 4.16Å; V54-L105 HydrophobicContact CG2-CB 4.03Å; V54-L105 HydrophobicContact CG2-CD1 4.46Å; A101-L105 VanDerWaalsContact O-CB 3.32Å; A101-L105 WeakPolarHBondContact O-CB 3.4Å; A101-L105 PolarHBondContact O-N 3.46Å; S102-L105 PolarHBondContact O-N 2.88Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 3.21Å; L105-V108 PolarHBondContact O-N 2.97Å; L105-V108 VanDerWaalsContact O-N 3.16Å; L105-T109 PolarHBondContact O-N 2.91Å; L105-T109 PolarHBondContact O-OG1 3.25Å; L105-A127 VanDerWaalsContact CD2-C 3.44Å; L105-A127 HydrophobicContact CD2-CB 3.68Å; L105-V128 HydrophobicContact CB-CG2 4.17Å; L105-V128 HydrophobicContact CD2-CG2 3.94Å; L105-V128 HydrophobicContact CG-CG2 3.63Å |
| 106 | A | 92.8 | Very high | 87.7 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S102 V103 T109 M110 V128 Y132 | S102-A106 VanDerWaalsContact O-CB 3.31Å; S102-A106 WeakPolarHBondContact O-CB 3.33Å; S102-A106 PolarHBondContact O-N 2.9Å; V103-A106 PolarHBondContact O-N 3.26Å; A106-T109 PolarHBondContact O-N 3.14Å; A106-M110 WeakPolarHBondContact O-CG 3.16Å; A106-M110 PolarHBondContact O-N 3.35Å; A106-V128 HydrophobicContact CB-CG1 4.16Å; A106-V128 HydrophobicContact CB-CG2 4.39Å; A106-Y132 HydrophobicContact CB-CE2 4.45Å |
| 107 | K | 91.4 | Very high | 86.6 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.4 | -51.8 | 173.9 | -166.5 | -58.4 | -160.4 | -172.4 | 0 | 110.4 | V103 A104 L105 T109 M110 D111 | V103-K107 PolarHBondContact O-N 2.96Å; A104-K107 WeakPolarHBondContact O-CB 3.45Å; A104-K107 PolarHBondContact O-N 3Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 3.21Å; K107-T109 VanDerWaalsContact C-N 3.32Å; K107-T109 PolarHBondContact O-N 3.45Å; K107-M110 WeakPolarHBondContact O-CB 3.36Å; K107-M110 PolarHBondContact O-N 2.9Å; K107-M110 VanDerWaalsContact O-N 3.09Å; K107-D111 WeakPolarHBondContact CD-OD2 3.36Å; K107-D111 WeakPolarHBondContact CE-OD2 3.28Å; K107-D111 IonicContact NZ-OD1 3.73Å; K107-D111 PolarHBondContact NZ-OD1 3.01Å; K107-D111 IonicContact NZ-OD2 2.74Å; K107-D111 PolarHBondContact NZ-OD2 3.2Å; K107-D111 PolarHBondContact O-N 3.35Å; K107-D111 VanDerWaalsContact O-N 3.13Å |
| 108 | V | 88.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 111 | P47 P50 Q51 A104 L105 M110 D111 F112 | P47-V108 HydrophobicContact CG-CG1 4.39Å; P47-V108 HydrophobicContact CG-CG2 4.35Å; P50-V108 VanDerWaalsContact CD-CG2 3.43Å; P50-V108 HydrophobicContact CG-CG2 3.41Å; P50-V108 VanDerWaalsContact CG-CG2 3.41Å; Q51-V108 HydrophobicContact CG-CG1 4.23Å; A104-V108 WeakPolarHBondContact O-CG2 3.36Å; A104-V108 PolarHBondContact O-N 3.3Å; A104-V108 VanDerWaalsContact O-N 3.13Å; L105-V108 PolarHBondContact O-N 2.97Å; L105-V108 VanDerWaalsContact O-N 3.16Å; V108-M110 VanDerWaalsContact C-N 3.28Å; V108-M110 PolarHBondContact O-N 3.48Å; V108-D111 WeakPolarHBondContact O-CB 3.36Å; V108-D111 PolarHBondContact O-N 3.38Å; V108-D111 VanDerWaalsContact O-N 3.11Å; V108-F112 HydrophobicContact CG1-CD2 3.75Å; V108-F112 HydrophobicContact CG1-CE2 3.6Å; V108-F112 VanDerWaalsContact O-CD2 3.26Å; V108-F112 WeakPolarHBondContact O-CD2 3.45Å; V108-F112 PolarHBondContact O-N 3.01Å |
| 109 | T | 88.5 | Confident | 85.6 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 177.2 | -48.7 | 0 | 0 | 0 | 0 | 112.1 | L105 A106 K107 D111 F112 K113 Y121 D124 I125 V128 | L105-T109 PolarHBondContact O-N 2.91Å; L105-T109 PolarHBondContact O-OG1 3.25Å; A106-T109 PolarHBondContact O-N 3.14Å; K107-T109 VanDerWaalsContact C-N 3.32Å; K107-T109 PolarHBondContact O-N 3.45Å; T109-D111 VanDerWaalsContact C-N 3.33Å; T109-D111 PolarHBondContact O-N 3.22Å; T109-F112 PolarHBondContact O-N 3.45Å; T109-K113 PolarHBondContact O-N 3.16Å; T109-Y121 HydrophobicContact CG2-CD2 4.22Å; T109-Y121 HydrophobicContact CG2-CE2 3.92Å; T109-Y121 WeakPolarHBondContact O-CE2 3.36Å; T109-D124 HydrophobicContact CG2-CB 4.15Å; T109-I125 HydrophobicContact CG2-CG1 3.63Å; T109-V128 VanDerWaalsContact OG1-CG2 3.3Å; T109-V128 WeakPolarHBondContact OG1-CG2 3.28Å |
| 110 | M | 88 | Confident | 85.1 | Confident | 143 Ų | 143 | 67.8 Ų | 67.8 | 70% | 0.704 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.4 | -34.5 | 177.2 | -72.2 | 178.8 | 67.4 | 0 | 0 | 113 | A106 K107 V108 F112 K113 | A106-M110 WeakPolarHBondContact O-CG 3.16Å; A106-M110 PolarHBondContact O-N 3.35Å; K107-M110 WeakPolarHBondContact O-CB 3.36Å; K107-M110 PolarHBondContact O-N 2.9Å; K107-M110 VanDerWaalsContact O-N 3.09Å; V108-M110 VanDerWaalsContact C-N 3.28Å; V108-M110 PolarHBondContact O-N 3.48Å; M110-F112 VanDerWaalsContact C-N 3.33Å; M110-K113 WeakPolarHBondContact O-CB 3.35Å; M110-K113 PolarHBondContact O-N 2.86Å |
| 111 | D | 85.3 | Confident | 84.7 | Confident | 87 Ų | 87 | 67 Ų | 67 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 176.9 | -61.3 | -35.4 | 0 | 0 | 0 | 112 | K107 V108 T109 K113 | K107-D111 WeakPolarHBondContact CD-OD2 3.36Å; K107-D111 WeakPolarHBondContact CE-OD2 3.28Å; K107-D111 IonicContact NZ-OD1 3.73Å; K107-D111 PolarHBondContact NZ-OD1 3.01Å; K107-D111 IonicContact NZ-OD2 2.74Å; K107-D111 PolarHBondContact NZ-OD2 3.2Å; K107-D111 PolarHBondContact O-N 3.35Å; K107-D111 VanDerWaalsContact O-N 3.13Å; V108-D111 WeakPolarHBondContact O-CB 3.36Å; V108-D111 PolarHBondContact O-N 3.38Å; V108-D111 VanDerWaalsContact O-N 3.11Å; T109-D111 VanDerWaalsContact C-N 3.33Å; T109-D111 PolarHBondContact O-N 3.22Å; D111-K113 PolarHBondContact O-N 3.45Å |
| 112 | F | 79.9 | Confident | 84.5 | Confident | 83 Ų | 83 | 72.9 Ų | 72.9 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -81.3 | 3.4 | 179.2 | -73.6 | -67.3 | 0 | 0 | 0 | 114.2 | V108 T109 M110 S114 D115 Y121 | V108-F112 HydrophobicContact CG1-CD2 3.75Å; V108-F112 HydrophobicContact CG1-CE2 3.6Å; V108-F112 VanDerWaalsContact O-CD2 3.26Å; V108-F112 WeakPolarHBondContact O-CD2 3.45Å; V108-F112 PolarHBondContact O-N 3.01Å; T109-F112 PolarHBondContact O-N 3.45Å; M110-F112 VanDerWaalsContact C-N 3.33Å; F112-S114 PolarHBondContact O-N 3.45Å; F112-D115 PolarHBondContact O-N 3.17Å; F112-Y121 HydrophobicContact CB-CD2 4.22Å |
| 113 | K | 77.5 | Confident | 84.3 | Confident | 144 Ų | 144 | 74.3 Ų | 74.3 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -59 | -21.9 | -179.5 | -176.5 | 178.3 | 177.2 | -175.8 | 0 | 113.9 | T109 M110 D111 D115 P116 Y121 | T109-K113 PolarHBondContact O-N 3.16Å; M110-K113 WeakPolarHBondContact O-CB 3.35Å; M110-K113 PolarHBondContact O-N 2.86Å; D111-K113 PolarHBondContact O-N 3.45Å; K113-D115 PolarHBondContact O-N 2.99Å; K113-P116 WeakPolarHBondContact O-CD 3.3Å; K113-Y121 HydrophobicContact CB-CE2 4.29Å |
| 114 | S | 72.2 | Confident | 84.1 | Confident | 112 Ų | 112 | 70.5 Ų | 70.5 | 78% | 0.783 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -61.3 | -22.8 | 179.6 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | F112 | F112-S114 PolarHBondContact O-N 3.45Š|
| 115 | D | 69.9 | Low | 84.1 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | trans | -129.1 | 75.2 | 176 | -160.9 | -10.8 | 0 | 0 | 0 | 112.6 | F112 K113 F117 T118 | F112-D115 PolarHBondContact O-N 3.17Å; K113-D115 PolarHBondContact O-N 2.99Å; D115-F117 PolarHBondContact O-N 3.48Å; D115-F117 VanDerWaalsContact O-N 3.16Å; D115-T118 HydrophobicContact CB-CG2 3.91Å; D115-T118 PolarHBondContact O-N 3.33Å; D115-T118 PolarHBondContact O-OG1 2.82Å; D115-T118 WeakPolarHBondContact OD2-CG2 3.34Å | ||
| 116 | P | 67.4 | Low | 84.1 | Confident | 56 Ų | 56 | 74.5 Ų | 74.5 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -8.7 | -169 | 30.4 | -35.7 | 0 | 0 | 0 | 114.1 | K113 Y121 | K113-P116 WeakPolarHBondContact O-CD 3.3Å; P116-Y121 HydrophobicContact CB-CD1 4.15Å; P116-Y121 HydrophobicContact CB-CE1 3.88Å; P116-Y121 WeakPolarHBondContact O-CD1 3.47Å |
| 117 | F | 73.1 | Confident | 84.2 | Confident | 175 Ų | 175 | 73.5 Ų | 73.5 | 77% | 0.768 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.3 | -179.6 | -63.2 | -72.5 | 0 | 0 | 0 | 113.1 | D115 | D115-F117 PolarHBondContact O-N 3.48Å; D115-F117 VanDerWaalsContact O-N 3.16Å |
| 118 | T | 82.2 | Confident | 84.3 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 29% | 0.288 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -65.1 | 144.5 | 176.8 | 58 | 0 | 0 | 0 | 0 | 111.5 | D115 D120 Y121 K122 | D115-T118 HydrophobicContact CB-CG2 3.91Å; D115-T118 PolarHBondContact O-N 3.33Å; D115-T118 PolarHBondContact O-OG1 2.82Å; D115-T118 WeakPolarHBondContact OD2-CG2 3.34Å; T118-D120 PolarHBondContact O-N 3.4Å; T118-Y121 WeakPolarHBondContact OG1-CB 3.47Å; T118-Y121 PolarHBondContact OG1-N 2.72Å; T118-K122 PolarHBondContact O-N 3.28Å |
| 119 | K | 84.6 | Confident | 84.6 | Confident | 120 Ų | 120 | 73 Ų | 73 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 173.8 | -177.5 | -174.8 | 62.7 | 57.8 | 0 | 110.7 | K122 L123 | K119-K122 PolarHBondContact O-N 3.31Å; K119-L123 HydrophobicContact CD-CD1 4.39Å; K119-L123 HydrophobicContact CG-CD1 3.69Å; K119-L123 WeakPolarHBondContact O-CD1 3.39Å; K119-L123 PolarHBondContact O-N 2.84Å |
| 120 | D | 84.9 | Confident | 84.9 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 35% | 0.353 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.1 | -37.9 | -171.9 | -55.9 | -26.4 | 0 | 0 | 0 | 111.7 | T43 T118 K122 L123 D124 | T43-D120 HydrophobicContact CG2-CB 4.2Å; T118-D120 PolarHBondContact O-N 3.4Å; D120-K122 VanDerWaalsContact C-N 3.31Å; D120-K122 PolarHBondContact O-N 2.84Å; D120-L123 PolarHBondContact O-N 2.97Å; D120-D124 PolarHBondContact O-N 3.49Å |
| 121 | Y | 86.5 | Confident | 85.2 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 15% | 0.153 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 171.4 | 179.5 | -106.6 | 0 | 0 | 0 | 112.7 | T109 F112 K113 P116 T118 D124 I125 | T109-Y121 HydrophobicContact CG2-CD2 4.22Å; T109-Y121 HydrophobicContact CG2-CE2 3.92Å; T109-Y121 WeakPolarHBondContact O-CE2 3.36Å; F112-Y121 HydrophobicContact CB-CD2 4.22Å; K113-Y121 HydrophobicContact CB-CE2 4.29Å; P116-Y121 HydrophobicContact CB-CD1 4.15Å; P116-Y121 HydrophobicContact CB-CE1 3.88Å; P116-Y121 WeakPolarHBondContact O-CD1 3.47Å; T118-Y121 WeakPolarHBondContact OG1-CB 3.47Å; T118-Y121 PolarHBondContact OG1-N 2.72Å; Y121-D124 PolarHBondContact O-N 3.49Å; Y121-I125 HydrophobicContact CD1-CD1 3.79Å; Y121-I125 HydrophobicContact CE1-CD1 3.28Å; Y121-I125 HydrophobicContact CE1-CG1 4.3Å; Y121-I125 HydrophobicContact CE2-CD1 4.24Å; Y121-I125 HydrophobicContact CE2-CG1 4.5Å; Y121-I125 HydrophobicContact CG-CD1 4.47Å; Y121-I125 WeakPolarHBondContact O-CG1 3.37Å; Y121-I125 PolarHBondContact O-N 3.46Å |
| 122 | K | 89.3 | Confident | 85.7 | Confident | 125 Ų | 125 | 69 Ų | 69 | 54% | 0.543 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 176.7 | -65.1 | 177.4 | -176.5 | 176 | 0 | 112.1 | T118 K119 D120 S126 | T118-K122 PolarHBondContact O-N 3.28Å; K119-K122 PolarHBondContact O-N 3.31Å; D120-K122 VanDerWaalsContact C-N 3.31Å; D120-K122 PolarHBondContact O-N 2.84Å; K122-S126 PolarHBondContact O-N 3.43Å; K122-S126 VanDerWaalsContact O-N 3.14Å; K122-S126 PolarHBondContact O-OG 3.19Å |
| 123 | L | 89.9 | Confident | 86.4 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 16% | 0.162 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 173.8 | -93.8 | 91.3 | 0 | 0 | 0 | 111.1 | L39 C42 T43 K119 D120 I125 S126 A127 | L39-L123 HydrophobicContact CD2-CD2 4.06Å; L39-L123 HydrophobicContact CD2-CG 4.1Å; C42-L123 HydrophobicContact CB-CD2 3.19Å; T43-L123 HydrophobicContact CG2-CB 3.82Å; T43-L123 HydrophobicContact CG2-CD2 4.34Å; K119-L123 HydrophobicContact CD-CD1 4.39Å; K119-L123 HydrophobicContact CG-CD1 3.69Å; K119-L123 WeakPolarHBondContact O-CD1 3.39Å; K119-L123 PolarHBondContact O-N 2.84Å; D120-L123 PolarHBondContact O-N 2.97Å; L123-I125 PolarHBondContact O-N 2.84Å; L123-S126 PolarHBondContact O-N 3.41Å; L123-S126 VanDerWaalsContact O-N 3.13Å; L123-S126 PolarHBondContact O-OG 2.79Å; L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 2.86Å |
| 124 | D | 90.6 | Very high | 87.2 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 178.9 | -85.4 | -13.9 | 0 | 0 | 0 | 111.7 | Q51 T109 D120 Y121 S126 A127 V128 | Q51-D124 PolarHBondContact NE2-OD1 3Å; T109-D124 HydrophobicContact CG2-CB 4.15Å; D120-D124 PolarHBondContact O-N 3.49Å; Y121-D124 PolarHBondContact O-N 3.49Å; D124-S126 VanDerWaalsContact C-N 3.33Å; D124-S126 PolarHBondContact O-N 3.35Å; D124-A127 PolarHBondContact O-N 3.39Å; D124-V128 WeakPolarHBondContact O-CG2 3.45Å; D124-V128 PolarHBondContact O-N 3.42Å |
| 125 | I | 91.9 | Very high | 88.2 | Confident | 69 Ų | 69 | 56 Ų | 56 | 35% | 0.354 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.6 | -48 | 173.3 | -72.6 | 171.6 | 0 | 0 | 0 | 111 | T109 Y121 L123 A127 V128 V129 | T109-I125 HydrophobicContact CG2-CG1 3.63Å; Y121-I125 HydrophobicContact CD1-CD1 3.79Å; Y121-I125 HydrophobicContact CE1-CD1 3.28Å; Y121-I125 HydrophobicContact CE1-CG1 4.3Å; Y121-I125 HydrophobicContact CE2-CD1 4.24Å; Y121-I125 HydrophobicContact CE2-CG1 4.5Å; Y121-I125 HydrophobicContact CG-CD1 4.47Å; Y121-I125 WeakPolarHBondContact O-CG1 3.37Å; Y121-I125 PolarHBondContact O-N 3.46Å; L123-I125 PolarHBondContact O-N 2.84Å; I125-A127 VanDerWaalsContact C-N 3.3Å; I125-A127 PolarHBondContact O-N 2.86Å; I125-V128 PolarHBondContact O-N 3.41Å; I125-V129 WeakPolarHBondContact O-CG2 3.21Å; I125-V129 PolarHBondContact O-N 3.43Å |
| 126 | S | 93.1 | Very high | 89.4 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | -180 | 67 | 0 | 0 | 0 | 0 | 111.8 | L39 K122 L123 D124 V128 V129 F130 | L39-S126 WeakPolarHBondContact CD1-OG 3.29Å; K122-S126 PolarHBondContact O-N 3.43Å; K122-S126 VanDerWaalsContact O-N 3.14Å; K122-S126 PolarHBondContact O-OG 3.19Å; L123-S126 PolarHBondContact O-N 3.41Å; L123-S126 VanDerWaalsContact O-N 3.13Å; L123-S126 PolarHBondContact O-OG 2.79Å; D124-S126 VanDerWaalsContact C-N 3.33Å; D124-S126 PolarHBondContact O-N 3.35Å; S126-V128 PolarHBondContact O-N 3.05Å; S126-V129 PolarHBondContact O-N 3.09Å; S126-F130 WeakPolarHBondContact O-CD2 3.3Å; S126-F130 WeakPolarHBondContact O-CG 3.27Å; S126-F130 PolarHBondContact O-N 2.91Å |
| 127 | A | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L39 V40 L105 L123 D124 I125 F130 S131 | L39-A127 HydrophobicContact CB-CB 3.81Å; L39-A127 HydrophobicContact CD1-CB 4.21Å; V40-A127 HydrophobicContact CG2-CB 4.26Å; L105-A127 VanDerWaalsContact CD2-C 3.44Å; L105-A127 HydrophobicContact CD2-CB 3.68Å; L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 2.86Å; D124-A127 PolarHBondContact O-N 3.39Å; I125-A127 VanDerWaalsContact C-N 3.3Å; I125-A127 PolarHBondContact O-N 2.86Å; A127-F130 PolarHBondContact O-N 3.46Å; A127-S131 VanDerWaalsContact O-CB 3.3Å; A127-S131 WeakPolarHBondContact O-CB 3.36Å; A127-S131 PolarHBondContact O-N 3.45Å; A127-S131 PolarHBondContact O-OG 3.27Å |
| 128 | V | 94.1 | Very high | 91.4 | Very high | 20 Ų | 20 | 47.6 Ų | 47.6 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 173.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L105 A106 T109 D124 I125 S126 F130 S131 Y132 | L105-V128 HydrophobicContact CB-CG2 4.17Å; L105-V128 HydrophobicContact CD2-CG2 3.94Å; L105-V128 HydrophobicContact CG-CG2 3.63Å; A106-V128 HydrophobicContact CB-CG1 4.16Å; A106-V128 HydrophobicContact CB-CG2 4.39Å; T109-V128 VanDerWaalsContact OG1-CG2 3.3Å; T109-V128 WeakPolarHBondContact OG1-CG2 3.28Å; D124-V128 WeakPolarHBondContact O-CG2 3.45Å; D124-V128 PolarHBondContact O-N 3.42Å; I125-V128 PolarHBondContact O-N 3.41Å; S126-V128 PolarHBondContact O-N 3.05Å; V128-F130 PolarHBondContact O-N 3.28Å; V128-S131 PolarHBondContact O-N 2.95Å; V128-S131 PolarHBondContact O-OG 3.47Å; V128-Y132 HydrophobicContact CG1-CD2 3.72Å; V128-Y132 HydrophobicContact CG1-CE2 3.64Å; V128-Y132 VanDerWaalsContact O-CD2 3.25Å; V128-Y132 WeakPolarHBondContact O-CD2 3.45Å; V128-Y132 PolarHBondContact O-N 3.04Å; V128-Y132 VanDerWaalsContact O-N 3.09Å |
| 129 | V | 95.1 | Very high | 91.9 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 179.9 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | I125 S126 S131 Y132 V133 | I125-V129 WeakPolarHBondContact O-CG2 3.21Å; I125-V129 PolarHBondContact O-N 3.43Å; S126-V129 PolarHBondContact O-N 3.09Å; V129-S131 VanDerWaalsContact C-N 3.35Å; V129-S131 PolarHBondContact O-N 3.22Å; V129-Y132 PolarHBondContact O-N 2.86Å; V129-V133 WeakPolarHBondContact O-CG2 3.48Å; V129-V133 PolarHBondContact O-N 3.44Å |
| 130 | F | 94.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 178.9 | -64.2 | -48.9 | 0 | 0 | 0 | 113.2 | F32 L35 V36 L39 S126 A127 V128 V133 T134 | F32-F130 AromaticContact CD1-CD1 3.66Å; F32-F130 HydrophobicContact CD1-CD1 3.66Å; F32-F130 HydrophobicContact CD1-CE1 4.13Å; F32-F130 HydrophobicContact CD1-CG 4.49Å; F32-F130 HydrophobicContact CE1-CD1 4.04Å; F32-F130 HydrophobicContact CE1-CE1 4.1Å; L35-F130 HydrophobicContact CB-CD2 4.2Å; L35-F130 HydrophobicContact CB-CG 4.49Å; L35-F130 HydrophobicContact CD1-CE1 4.38Å; L35-F130 HydrophobicContact CD1-CE2 4.37Å; L35-F130 HydrophobicContact CD1-CZ 4.3Å; V36-F130 HydrophobicContact CG2-CB 3.75Å; L39-F130 HydrophobicContact CD1-CD2 3.49Å; L39-F130 VanDerWaalsContact CD1-CD2 3.49Å; L39-F130 HydrophobicContact CD1-CE2 3.82Å; S126-F130 WeakPolarHBondContact O-CD2 3.3Å; S126-F130 WeakPolarHBondContact O-CG 3.27Å; S126-F130 PolarHBondContact O-N 2.91Å; A127-F130 PolarHBondContact O-N 3.46Å; V128-F130 PolarHBondContact O-N 3.28Å; F130-V133 PolarHBondContact O-N 3.41Å; F130-T134 WeakPolarHBondContact O-CB 3.34Å; F130-T134 PolarHBondContact O-N 3.13Å; F130-T134 PolarHBondContact O-OG1 3.3Å |
| 131 | S | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -39 | 177.8 | 78.4 | 0 | 0 | 0 | 0 | 111.7 | S102 A127 V128 V129 T134 T135 | S102-S131 WeakPolarHBondContact CA-OG 3.47Å; S102-S131 WeakPolarHBondContact CB-OG 3.48Å; S102-S131 VanDerWaalsContact OG-C 3.25Å; S102-S131 VanDerWaalsContact OG-CB 3.27Å; S102-S131 WeakPolarHBondContact OG-CB 3.28Å; S102-S131 PolarHBondContact OG-O 3.03Å; S102-S131 PolarHBondContact OG-OG 3.47Å; A127-S131 VanDerWaalsContact O-CB 3.3Å; A127-S131 WeakPolarHBondContact O-CB 3.36Å; A127-S131 PolarHBondContact O-N 3.45Å; A127-S131 PolarHBondContact O-OG 3.27Å; V128-S131 PolarHBondContact O-N 2.95Å; V128-S131 PolarHBondContact O-OG 3.47Å; V129-S131 VanDerWaalsContact C-N 3.35Å; V129-S131 PolarHBondContact O-N 3.22Å; S131-T134 PolarHBondContact O-N 3.31Å; S131-T135 PolarHBondContact O-N 2.97Å; S131-T135 PolarHBondContact O-OG1 3.37Å |
| 132 | Y | 95.1 | Very high | 92.6 | Very high | 100 Ų | 100 | 42.9 Ų | 42.9 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.4 | -40.6 | 173 | -81.7 | -67 | 0 | 0 | 0 | 112.6 | A106 V128 V129 T134 T135 L136 | A106-Y132 HydrophobicContact CB-CE2 4.45Å; V128-Y132 HydrophobicContact CG1-CD2 3.72Å; V128-Y132 HydrophobicContact CG1-CE2 3.64Å; V128-Y132 VanDerWaalsContact O-CD2 3.25Å; V128-Y132 WeakPolarHBondContact O-CD2 3.45Å; V128-Y132 PolarHBondContact O-N 3.04Å; V128-Y132 VanDerWaalsContact O-N 3.09Å; V129-Y132 PolarHBondContact O-N 2.86Å; Y132-T134 VanDerWaalsContact C-N 3.3Å; Y132-T134 PolarHBondContact O-N 3.1Å; Y132-T135 WeakPolarHBondContact O-CB 3.37Å; Y132-T135 PolarHBondContact O-N 2.87Å; Y132-L136 PolarHBondContact O-N 2.91Å |
| 133 | V | 94.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 172.8 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | F32 V129 F130 T135 L136 L137 | F32-V133 HydrophobicContact CD1-CG1 4.27Å; F32-V133 HydrophobicContact CD2-CG1 3.99Å; F32-V133 HydrophobicContact CE1-CG1 4.45Å; F32-V133 HydrophobicContact CE2-CG1 4.19Å; F32-V133 HydrophobicContact CG-CG1 4.04Å; F32-V133 HydrophobicContact CZ-CG1 4.42Å; V129-V133 WeakPolarHBondContact O-CG2 3.48Å; V129-V133 PolarHBondContact O-N 3.44Å; F130-V133 PolarHBondContact O-N 3.41Å; V133-T135 VanDerWaalsContact C-N 3.35Å; V133-T135 PolarHBondContact O-N 2.96Å; V133-L136 WeakPolarHBondContact O-CB 3.49Å; V133-L136 PolarHBondContact O-N 3.39Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 WeakPolarHBondContact O-CG 3.04Å; V133-L137 PolarHBondContact O-N 3.18Å |
| 134 | T | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 178 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | F32 G33 Y98 F130 S131 Y132 L136 L137 Y138 | F32-T134 VanDerWaalsContact CB-OG1 3.28Å; F32-T134 WeakPolarHBondContact CB-OG1 3.48Å; G33-T134 PolarHBondContact N-OG1 3.03Å; Y98-T134 HydrophobicContact CD1-CG2 3.77Å; Y98-T134 HydrophobicContact CD2-CG2 4.24Å; Y98-T134 HydrophobicContact CE1-CG2 3.42Å; Y98-T134 VanDerWaalsContact CE1-CG2 3.42Å; Y98-T134 HydrophobicContact CE2-CG2 3.91Å; Y98-T134 HydrophobicContact CG-CG2 4.16Å; F130-T134 WeakPolarHBondContact O-CB 3.34Å; F130-T134 PolarHBondContact O-N 3.13Å; F130-T134 PolarHBondContact O-OG1 3.3Å; S131-T134 PolarHBondContact O-N 3.31Å; Y132-T134 VanDerWaalsContact C-N 3.3Å; Y132-T134 PolarHBondContact O-N 3.1Å; T134-L136 VanDerWaalsContact C-N 3.33Å; T134-L136 PolarHBondContact O-N 3.49Å; T134-L137 PolarHBondContact O-N 3.48Å; T134-Y138 HydrophobicContact CG2-CD2 3.76Å; T134-Y138 HydrophobicContact CG2-CE2 3.42Å; T134-Y138 VanDerWaalsContact CG2-CE2 3.42Å; T134-Y138 VanDerWaalsContact O-CD2 3.27Å; T134-Y138 WeakPolarHBondContact O-CD2 3.42Å; T134-Y138 PolarHBondContact O-N 3.35Å |
| 135 | T | 94.4 | Very high | 92 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.5 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | V95 Y98 L99 S102 S131 Y132 V133 Y138 F139 | V95-T135 HydrophobicContact CG1-CG2 4.4Å; Y98-T135 PolarHBondContact O-OG1 3.49Å; L99-T135 HydrophobicContact CB-CG2 4Å; L99-T135 HydrophobicContact CD1-CG2 4.37Å; S102-T135 PolarHBondContact OG-OG1 3.39Å; S131-T135 PolarHBondContact O-N 2.97Å; S131-T135 PolarHBondContact O-OG1 3.37Å; Y132-T135 WeakPolarHBondContact O-CB 3.37Å; Y132-T135 PolarHBondContact O-N 2.87Å; V133-T135 VanDerWaalsContact C-N 3.35Å; V133-T135 PolarHBondContact O-N 2.96Å; T135-Y138 PolarHBondContact O-N 2.95Å; T135-F139 WeakPolarHBondContact O-CB 3.17Å; T135-F139 PolarHBondContact O-N 3.44Å |
| 136 | L | 93.3 | Very high | 91.6 | Very high | 111 Ų | 111 | 39.1 Ų | 39.1 | 58% | 0.581 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64 | -41.9 | 178 | -174.6 | 70.1 | 0 | 0 | 0 | 111.5 | Y132 V133 T134 F139 V140 | Y132-L136 PolarHBondContact O-N 2.91Å; V133-L136 WeakPolarHBondContact O-CB 3.49Å; V133-L136 PolarHBondContact O-N 3.39Å; T134-L136 VanDerWaalsContact C-N 3.33Å; T134-L136 PolarHBondContact O-N 3.49Å; L136-F139 WeakPolarHBondContact O-CB 3.32Å; L136-F139 PolarHBondContact O-N 2.99Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 3.13Å |
| 137 | L | 91.8 | Very high | 91.1 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -51.6 | 176.8 | -71.8 | 167.4 | 0 | 0 | 0 | 111.2 | L25 P28 E29 F32 V133 T134 F139 V140 H141 | L25-L137 HydrophobicContact CD2-CD2 4.25Å; P28-L137 HydrophobicContact CB-CD1 3.95Å; P28-L137 HydrophobicContact CB-CD2 4.35Å; P28-L137 HydrophobicContact CG-CD2 4.29Å; E29-L137 HydrophobicContact CG-CB 3.78Å; F32-L137 HydrophobicContact CB-CD1 4.47Å; F32-L137 HydrophobicContact CD2-CD1 3.48Å; F32-L137 VanDerWaalsContact CD2-CD1 3.48Å; F32-L137 HydrophobicContact CE2-CD1 4.14Å; F32-L137 HydrophobicContact CG-CD1 4.35Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 WeakPolarHBondContact O-CG 3.04Å; V133-L137 PolarHBondContact O-N 3.18Å; T134-L137 PolarHBondContact O-N 3.48Å; L137-F139 PolarHBondContact O-N 3.39Å; L137-V140 PolarHBondContact O-N 2.66Å; L137-H141 WeakPolarHBondContact O-CB 3.31Å; L137-H141 PolarHBondContact O-N 3.06Å |
| 138 | Y | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -34.2 | 175.3 | -76.1 | -52.3 | 0 | 0 | 0 | 112.3 | E29 C61 T65 H91 A94 V95 Y98 T134 T135 H141 T142 | E29-Y138 HydrophobicContact CB-CE1 4.03Å; E29-Y138 VanDerWaalsContact CD-CD1 3.44Å; E29-Y138 VanDerWaalsContact CD-CE1 3.47Å; E29-Y138 HydrophobicContact CG-CD1 3.96Å; E29-Y138 HydrophobicContact CG-CE1 3.84Å; E29-Y138 HydrophobicContact CG-CG 4.49Å; E29-Y138 VanDerWaalsContact OE2-CE1 3.31Å; E29-Y138 WeakPolarHBondContact OE2-CE1 3.5Å; C61-Y138 HydrophobicContact CB-CE2 4.41Å; T65-Y138 WeakPolarHBondContact OG1-CE1 3.47Å; T65-Y138 PolarHBondContact OG1-OH 3.36Å; H91-Y138 AromaticContact CD2-CD1 3.89Å; A94-Y138 HydrophobicContact CB-CD1 3.9Å; A94-Y138 HydrophobicContact CB-CD2 4.15Å; A94-Y138 HydrophobicContact CB-CE1 4.13Å; A94-Y138 HydrophobicContact CB-CE2 4.38Å; A94-Y138 HydrophobicContact CB-CG 3.93Å; V95-Y138 WeakPolarHBondContact CG2-O 3.44Å; Y98-Y138 AromaticContact CD2-CD2 3.77Å; Y98-Y138 HydrophobicContact CD2-CD2 3.77Å; Y98-Y138 AromaticContact CD2-CE2 3.44Å; Y98-Y138 HydrophobicContact CD2-CE2 3.44Å; Y98-Y138 VanDerWaalsContact CD2-CE2 3.44Å; Y98-Y138 HydrophobicContact CE2-CD2 4.26Å; Y98-Y138 AromaticContact CE2-CE2 3.49Å; Y98-Y138 HydrophobicContact CE2-CE2 3.49Å; Y98-Y138 VanDerWaalsContact CE2-CE2 3.49Å; Y98-Y138 HydrophobicContact CG-CD2 4.18Å; Y98-Y138 HydrophobicContact CG-CE2 4.2Å; T134-Y138 HydrophobicContact CG2-CD2 3.76Å; T134-Y138 HydrophobicContact CG2-CE2 3.42Å; T134-Y138 VanDerWaalsContact CG2-CE2 3.42Å; T134-Y138 VanDerWaalsContact O-CD2 3.27Å; T134-Y138 WeakPolarHBondContact O-CD2 3.42Å; T134-Y138 PolarHBondContact O-N 3.35Å; T135-Y138 PolarHBondContact O-N 2.95Å; Y138-H141 PolarHBondContact O-N 2.87Å; Y138-T142 WeakPolarHBondContact O-CB 3.32Å; Y138-T142 PolarHBondContact O-N 3.5Å; Y138-T142 PolarHBondContact O-OG1 3.48Å |
| 139 | F | 92.9 | Very high | 89.7 | Confident | 105 Ų | 105 | 46.1 Ų | 46.1 | 46% | 0.461 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.9 | -45.7 | 178.8 | 179.5 | -106.9 | 0 | 0 | 0 | 112.2 | V95 T135 L136 L137 H141 T142 I143 | V95-F139 HydrophobicContact CG1-CB 4.36Å; V95-F139 HydrophobicContact CG1-CD2 4.27Å; V95-F139 VanDerWaalsContact CG2-CA 3.43Å; V95-F139 HydrophobicContact CG2-CB 3.93Å; V95-F139 VanDerWaalsContact CG2-N 3.29Å; T135-F139 WeakPolarHBondContact O-CB 3.17Å; T135-F139 PolarHBondContact O-N 3.44Å; L136-F139 WeakPolarHBondContact O-CB 3.32Å; L136-F139 PolarHBondContact O-N 2.99Å; L137-F139 PolarHBondContact O-N 3.39Å; F139-H141 VanDerWaalsContact C-N 3.29Å; F139-H141 PolarHBondContact O-N 2.89Å; F139-T142 WeakPolarHBondContact O-CB 3.38Å; F139-T142 PolarHBondContact O-N 3.06Å; F139-I143 HydrophobicContact CD1-CD1 4Å; F139-I143 HydrophobicContact CE1-CD1 3.5Å; F139-I143 VanDerWaalsContact CE1-CD1 3.5Å; F139-I143 HydrophobicContact CE2-CD1 4.39Å; F139-I143 HydrophobicContact CZ-CD1 3.73Å; F139-I143 HydrophobicContact CZ-CG1 4.43Å; F139-I143 WeakPolarHBondContact O-CG1 3.36Å; F139-I143 PolarHBondContact O-N 3.44Å; F139-I143 VanDerWaalsContact O-N 3.08Å |
| 140 | V | 90.1 | Very high | 88.7 | Confident | 59 Ų | 59 | 51 Ų | 51 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | L25 L136 L137 T142 I143 L144 | L25-V140 HydrophobicContact CD1-CB 4.44Å; L25-V140 HydrophobicContact CD1-CG1 3.94Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 3.13Å; L137-V140 PolarHBondContact O-N 2.66Å; V140-T142 PolarHBondContact O-N 3.27Å; V140-I143 PolarHBondContact O-N 3.14Å; V140-L144 HydrophobicContact CG1-CD1 3.94Å; V140-L144 HydrophobicContact CG1-CG 4.48Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 2.54Å |
| 141 | H | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 176.3 | -159.3 | 158.2 | 0 | 0 | 0 | 111.2 | L25 Y26 E29 H91 L137 Y138 F139 I143 L144 S145 | L25-H141 HydrophobicContact CB-CB 4.36Å; L25-H141 HydrophobicContact CD1-CB 3.84Å; Y26-H141 AromaticContact CD1-CE1 3.93Å; Y26-H141 AromaticContact CD2-CE1 3.82Å; Y26-H141 AromaticContact CE1-CE1 3.68Å; Y26-H141 AromaticContact CE2-CE1 3.51Å; Y26-H141 AromaticContact CE2-NE2 3.86Å; Y26-H141 AromaticContact CZ-CE1 3.45Å; Y26-H141 VanDerWaalsContact CZ-CE1 3.45Å; Y26-H141 AromaticContact CZ-NE2 3.89Å; E29-H141 WeakPolarHBondContact OE1-CB 3.48Å; E29-H141 IonicContact OE1-CG 2.54Å; E29-H141 IonicContact OE1-ND1 3.44Å; E29-H141 PolarHBondContact OE1-ND1 3.3Å; E29-H141 IonicContact OE2-CE1 3.32Å; E29-H141 IonicContact OE2-ND1 2.89Å; E29-H141 PolarHBondContact OE2-ND1 2.9Å; H91-H141 AromaticContact CD2-CD2 3.84Å; H91-H141 AromaticContact CD2-CE1 3.68Å; H91-H141 AromaticContact CD2-CG 3.31Å; H91-H141 AromaticContact CD2-ND1 3.21Å; H91-H141 PolarHBondContact CD2-ND1 3.34Å; H91-H141 AromaticContact CE1-CE1 3.49Å; H91-H141 PolarHBondContact CE1-CE1 3.22Å; H91-H141 VanDerWaalsContact CE1-CE1 3.49Å; H91-H141 AromaticContact CE1-ND1 3.84Å; H91-H141 AromaticContact CE1-NE2 3.64Å; H91-H141 AromaticContact CG-CG 3.93Å; H91-H141 AromaticContact NE2-CD2 3.86Å; H91-H141 AromaticContact NE2-CE1 3.04Å; H91-H141 PolarHBondContact NE2-CE1 2.97Å; H91-H141 AromaticContact NE2-CG 3.55Å; H91-H141 AromaticContact NE2-ND1 3.02Å; H91-H141 PolarHBondContact NE2-ND1 3.34Å; H91-H141 AromaticContact NE2-NE2 3.6Å; L137-H141 WeakPolarHBondContact O-CB 3.31Å; L137-H141 PolarHBondContact O-N 3.06Å; Y138-H141 PolarHBondContact O-N 2.87Å; F139-H141 VanDerWaalsContact C-N 3.29Å; F139-H141 PolarHBondContact O-N 2.89Å; H141-I143 VanDerWaalsContact C-N 3.3Å; H141-I143 PolarHBondContact O-N 3.3Å; H141-L144 PolarHBondContact O-N 3.28Å; H141-L144 VanDerWaalsContact O-N 3.11Å; H141-S145 PolarHBondContact CD2-OG 3.45Å; H141-S145 VanDerWaalsContact CD2-OG 3.25Å; H141-S145 WeakPolarHBondContact O-CB 3.42Å; H141-S145 PolarHBondContact O-N 3.16Å; H141-S145 PolarHBondContact O-OG 3.03Å; H141-S145 VanDerWaalsContact O-OG 3.05Å |
| 142 | T | 90.6 | Very high | 85.7 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.6 | -45 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | F88 H91 L92 V95 Y138 F139 V140 S145 A146 | F88-T142 HydrophobicContact CD2-CG2 3.87Å; F88-T142 WeakPolarHBondContact CD2-O 3.36Å; F88-T142 HydrophobicContact CE2-CG2 3.58Å; H91-T142 VanDerWaalsContact CB-OG1 3.28Å; H91-T142 WeakPolarHBondContact CB-OG1 3.46Å; H91-T142 PolarHBondContact O-OG1 3.29Å; L92-T142 HydrophobicContact CB-CG2 3.95Å; L92-T142 HydrophobicContact CD1-CG2 4.07Å; L92-T142 PolarHBondContact N-OG1 3.3Å; V95-T142 WeakPolarHBondContact CG2-OG1 3.25Å; Y138-T142 WeakPolarHBondContact O-CB 3.32Å; Y138-T142 PolarHBondContact O-N 3.5Å; Y138-T142 PolarHBondContact O-OG1 3.48Å; F139-T142 WeakPolarHBondContact O-CB 3.38Å; F139-T142 PolarHBondContact O-N 3.06Å; V140-T142 PolarHBondContact O-N 3.27Å; T142-S145 PolarHBondContact O-N 2.74Å; T142-A146 WeakPolarHBondContact O-CB 3.44Å; T142-A146 PolarHBondContact O-N 3.34Å |
| 143 | I | 88.3 | Confident | 85.2 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 40% | 0.395 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 178.6 | -67.4 | 168.5 | 0 | 0 | 0 | 110.7 | F139 V140 H141 A146 I147 | F139-I143 HydrophobicContact CD1-CD1 4Å; F139-I143 HydrophobicContact CE1-CD1 3.5Å; F139-I143 VanDerWaalsContact CE1-CD1 3.5Å; F139-I143 HydrophobicContact CE2-CD1 4.39Å; F139-I143 HydrophobicContact CZ-CD1 3.73Å; F139-I143 HydrophobicContact CZ-CG1 4.43Å; F139-I143 WeakPolarHBondContact O-CG1 3.36Å; F139-I143 PolarHBondContact O-N 3.44Å; F139-I143 VanDerWaalsContact O-N 3.08Å; V140-I143 PolarHBondContact O-N 3.14Å; H141-I143 VanDerWaalsContact C-N 3.3Å; H141-I143 PolarHBondContact O-N 3.3Å; I143-A146 WeakPolarHBondContact O-CB 3.21Å; I143-A146 PolarHBondContact O-N 3.25Å; I143-I147 HydrophobicContact CG2-CD1 3.97Å; I143-I147 WeakPolarHBondContact O-CG1 3.26Å; I143-I147 PolarHBondContact O-N 3.31Å |
| 144 | L | 84.4 | Confident | 84.7 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | -179.1 | -64.2 | 167.8 | 0 | 0 | 0 | 111.8 | I21 P22 L25 V140 H141 A146 I147 R148 | I21-L144 HydrophobicContact CG2-CD1 3.6Å; I21-L144 HydrophobicContact CG2-CD2 4.13Å; I21-L144 HydrophobicContact CG2-CG 4.41Å; P22-L144 HydrophobicContact CB-CB 3.7Å; P22-L144 HydrophobicContact CB-CD1 4.12Å; L25-L144 HydrophobicContact CD1-CD1 3.69Å; V140-L144 HydrophobicContact CG1-CD1 3.94Å; V140-L144 HydrophobicContact CG1-CG 4.48Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 2.54Å; H141-L144 PolarHBondContact O-N 3.28Å; H141-L144 VanDerWaalsContact O-N 3.11Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-I147 PolarHBondContact O-N 3.09Å; L144-R148 WeakPolarHBondContact O-CB 3.39Å; L144-R148 PolarHBondContact O-N 3.47Å |
| 145 | S | 84.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 172.3 | -63.1 | 0 | 0 | 0 | 0 | 112 | D87 H141 T142 R148 W149 | D87-S145 WeakPolarHBondContact OD2-CB 3.48Å; D87-S145 PolarHBondContact OD2-OG 2.98Å; H141-S145 PolarHBondContact CD2-OG 3.45Å; H141-S145 VanDerWaalsContact CD2-OG 3.25Å; H141-S145 WeakPolarHBondContact O-CB 3.42Å; H141-S145 PolarHBondContact O-N 3.16Å; H141-S145 PolarHBondContact O-OG 3.03Å; H141-S145 VanDerWaalsContact O-OG 3.05Å; T142-S145 PolarHBondContact O-N 2.74Å; S145-R148 PolarHBondContact O-N 3.42Å; S145-W149 WeakPolarHBondContact O-CB 3.33Å; S145-W149 PolarHBondContact O-N 2.89Å |
| 146 | A | 84.1 | Confident | 83.7 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 28% | 0.281 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | F88 T142 I143 L144 W149 K150 | F88-A146 HydrophobicContact CD2-CB 3.72Å; F88-A146 HydrophobicContact CE2-CB 3.68Å; T142-A146 WeakPolarHBondContact O-CB 3.44Å; T142-A146 PolarHBondContact O-N 3.34Å; I143-A146 WeakPolarHBondContact O-CB 3.21Å; I143-A146 PolarHBondContact O-N 3.25Å; L144-A146 VanDerWaalsContact C-N 3.34Å; A146-W149 PolarHBondContact O-N 3.16Å; A146-K150 WeakPolarHBondContact O-CB 3.22Å; A146-K150 PolarHBondContact O-N 3.23Å |
| 147 | I | 82.3 | Confident | 83.1 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 175.4 | -65 | 165.7 | 0 | 0 | 0 | 110.1 | M8 I143 L144 K150 S151 | M8-I147 HydrophobicContact CE-CB 4.35Å; M8-I147 HydrophobicContact CE-CG2 3.63Å; I143-I147 HydrophobicContact CG2-CD1 3.97Å; I143-I147 WeakPolarHBondContact O-CG1 3.26Å; I143-I147 PolarHBondContact O-N 3.31Å; L144-I147 PolarHBondContact O-N 3.09Å; I147-K150 PolarHBondContact O-N 3.24Å; I147-S151 PolarHBondContact O-N 3.03Å |
| 148 | R | 78.4 | Confident | 82.5 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 3% | 0.034 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -50 | 176.3 | 177.5 | 169.4 | 69.9 | -179.3 | 1 | 111 | L11 D23 D87 L144 S145 K150 S151 F152 | L11-R148 VanDerWaalsContact CD2-NH1 3.34Å; D23-R148 IonicContact OD1-CZ 3.48Å; D23-R148 IonicContact OD1-NH1 3.99Å; D23-R148 PolarHBondContact OD1-NH1 3.38Å; D23-R148 IonicContact OD1-NH2 3.8Å; D23-R148 IonicContact OD2-NH1 3.71Å; D23-R148 PolarHBondContact OD2-NH1 3.11Å; D87-R148 IonicContact OD1-NH2 3.79Å; D87-R148 PolarHBondContact OD1-NH2 3.41Å; D87-R148 IonicContact OD2-CZ 3.16Å; D87-R148 IonicContact OD2-NH2 3.35Å; D87-R148 PolarHBondContact OD2-NH2 3.13Å; L144-R148 WeakPolarHBondContact O-CB 3.39Å; L144-R148 PolarHBondContact O-N 3.47Å; S145-R148 PolarHBondContact O-N 3.42Å; R148-K150 VanDerWaalsContact C-N 3.3Å; R148-K150 PolarHBondContact O-N 3.06Å; R148-S151 WeakPolarHBondContact O-CB 3.44Å; R148-S151 PolarHBondContact O-N 3.39Å; R148-F152 HydrophobicContact CG-CD2 4.45Å; R148-F152 HydrophobicContact CG-CE2 3.93Å; R148-F152 VanDerWaalsContact O-CD2 3.31Å; R148-F152 WeakPolarHBondContact O-CD2 3.33Å; R148-F152 PolarHBondContact O-N 3.41Å |
| 149 | W | 78.6 | Confident | 81.8 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 179.7 | -179.8 | 34.8 | 0 | 0 | 0 | 112.6 | S81 A84 A85 F88 S145 A146 S151 F152 | S81-W149 PolarHBondContact OG-NE1 3.37Å; A84-W149 HydrophobicContact CB-CB 4.16Å; A84-W149 HydrophobicContact CB-CG 4.45Å; A85-W149 HydrophobicContact CB-CD2 4.17Å; A85-W149 HydrophobicContact CB-CG 4.48Å; A85-W149 HydrophobicContact CB-CZ2 4.01Å; F88-W149 HydrophobicContact CD1-CE3 4.02Å; F88-W149 HydrophobicContact CD1-CZ3 4.07Å; F88-W149 HydrophobicContact CE1-CZ3 4.26Å; F88-W149 HydrophobicContact CG-CE3 4.49Å; S145-W149 WeakPolarHBondContact O-CB 3.33Å; S145-W149 PolarHBondContact O-N 2.89Å; A146-W149 PolarHBondContact O-N 3.16Å; W149-S151 PolarHBondContact O-N 3.32Å; W149-F152 PolarHBondContact O-N 3.36Å |
| 150 | K | 75.3 | Confident | 80.9 | Confident | 186 Ų | 186 | 59.5 Ų | 59.5 | 81% | 0.809 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.6 | -21 | 176.1 | -161.7 | -174.1 | -169.1 | -178.4 | 0 | 113.8 | A146 I147 R148 | A146-K150 WeakPolarHBondContact O-CB 3.22Å; A146-K150 PolarHBondContact O-N 3.23Å; I147-K150 PolarHBondContact O-N 3.24Å; R148-K150 VanDerWaalsContact C-N 3.3Å; R148-K150 PolarHBondContact O-N 3.06Å |
| 151 | S | 68.3 | Low | 80.2 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.8 | -179.8 | -168.9 | 0 | 0 | 0 | 0 | 113.6 | I147 R148 W149 | I147-S151 PolarHBondContact O-N 3.03Å; R148-S151 WeakPolarHBondContact O-CB 3.44Å; R148-S151 PolarHBondContact O-N 3.39Å; W149-S151 PolarHBondContact O-N 3.32Å |
| 152 | F | 57.4 | Low | 79.3 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | trans | -85 | 0 | 168.5 | -83.1 | -82.8 | 0 | 0 | 0 | 111 | L11 N79 A84 R148 W149 | L11-F152 HydrophobicContact CG-CZ 4.44Å; N79-F152 HydrophobicContact CB-CE1 4.44Å; N79-F152 WeakPolarHBondContact ND2-CE1 3.19Å; N79-F152 VanDerWaalsContact O-CE1 3.26Å; N79-F152 WeakPolarHBondContact O-CE1 3.45Å; N79-F152 WeakPolarHBondContact OD1-CZ 3.5Å; A84-F152 HydrophobicContact CB-CD2 3.89Å; A84-F152 HydrophobicContact CB-CE2 3.81Å; R148-F152 HydrophobicContact CG-CD2 4.45Å; R148-F152 HydrophobicContact CG-CE2 3.93Å; R148-F152 VanDerWaalsContact O-CD2 3.31Å; R148-F152 WeakPolarHBondContact O-CD2 3.33Å; R148-F152 PolarHBondContact O-N 3.41Å; W149-F152 PolarHBondContact O-N 3.36Å |
Retrieved 152 of 152 residues in 54.3 ms
(Link to these results)