| 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 | 54 | Low | 66.8 | Low | 188 Ų | 188 | 98.8 Ų | 98.8 | 93% | 0.926 | 54% | 0.544 | S | S | * | . | 0 | -64.3 | 0 | -74.6 | -160.6 | 173.2 | 0 | 0 | 113.7 | D4 K5 | M1-D4 PolarHBondContact N-OD2 2.93Å; M1-K5 PolarHBondContact O-N 3.39Å | |||
| 2 | A | 54 | Low | 68.4 | Low | 78 Ų | 78 | 102.6 Ų | 102.6 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.1 | -34.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N6 | A2-N6 PolarHBondContact O-N 2.91Å |
| 3 | S | 58.9 | Low | 70.3 | Confident | 77 Ų | 77 | 103.7 Ų | 103.7 | 54% | 0.538 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.7 | -45.3 | 173.5 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | K5 N6 V7 | S3-K5 PolarHBondContact O-N 3.2Å; S3-N6 PolarHBondContact O-N 3.02Å; S3-V7 WeakPolarHBondContact O-CG2 3.44Å; S3-V7 PolarHBondContact O-N 3.2Å |
| 4 | D | 59.9 | Low | 72 | Confident | 93 Ų | 93 | 97.6 Ų | 97.6 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | -177.2 | -51.9 | -48.2 | 0 | 0 | 0 | 111.9 | M1 N6 V7 E8 | M1-D4 PolarHBondContact N-OD2 2.93Å; D4-N6 VanDerWaalsContact C-N 3.32Å; D4-N6 PolarHBondContact O-N 3.38Å; D4-V7 PolarHBondContact O-N 2.9Å; D4-E8 PolarHBondContact O-N 3.22Å |
| 5 | K | 61.6 | Low | 73.4 | Confident | 146 Ų | 146 | 92.8 Ų | 92.8 | 64% | 0.635 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -36.3 | 174.2 | -78.5 | -170.9 | 174.5 | -174.1 | 0 | 113.1 | M1 S3 Q9 | M1-K5 PolarHBondContact O-N 3.39Å; S3-K5 PolarHBondContact O-N 3.2Å; K5-Q9 WeakPolarHBondContact O-CB 3.47Å; K5-Q9 WeakPolarHBondContact O-CG 3.49Å; K5-Q9 PolarHBondContact O-N 3.17Å |
| 6 | N | 64.8 | Low | 74.8 | Confident | 111 Ų | 111 | 92.1 Ų | 92.1 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.3 | -34 | 176.9 | -76.6 | -13.5 | 0 | 0 | 0 | 111.9 | A2 S3 D4 G10 | A2-N6 PolarHBondContact O-N 2.91Å; S3-N6 PolarHBondContact O-N 3.02Å; D4-N6 VanDerWaalsContact C-N 3.32Å; D4-N6 PolarHBondContact O-N 3.38Å; N6-G10 PolarHBondContact O-N 3.44Å; N6-G10 VanDerWaalsContact O-N 3.07Å |
| 7 | V | 69.7 | Low | 76 | Confident | 84 Ų | 84 | 90 Ų | 90 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -47.6 | 174.1 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | S3 D4 Q9 G10 D11 | S3-V7 WeakPolarHBondContact O-CG2 3.44Å; S3-V7 PolarHBondContact O-N 3.2Å; D4-V7 PolarHBondContact O-N 2.9Å; V7-Q9 VanDerWaalsContact C-N 3.32Å; V7-Q9 PolarHBondContact O-N 3.08Å; V7-G10 PolarHBondContact O-N 2.66Å; V7-G10 VanDerWaalsContact O-N 3.14Å; V7-D11 WeakPolarHBondContact O-CB 3.39Å; V7-D11 VanDerWaalsContact O-CG 3.3Å; V7-D11 PolarHBondContact O-N 3.23Å |
| 8 | E | 70.1 | Confident | 77.2 | Confident | 125 Ų | 125 | 85.2 Ų | 85.2 | 58% | 0.584 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.8 | -40.2 | 175.9 | -76.8 | -179.4 | 165.8 | 0 | 0 | 112.6 | D4 D11 H12 | D4-E8 PolarHBondContact O-N 3.22Å; E8-D11 PolarHBondContact O-N 3.27Å; E8-H12 PolarHBondContact O-CD2 3.06Å; E8-H12 PolarHBondContact O-N 3.17Å |
| 9 | Q | 74.6 | Confident | 78.2 | Confident | 125 Ų | 125 | 83.4 Ų | 83.4 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.4 | -44.4 | 174.5 | -79.9 | -177.9 | -2.2 | 0 | 0 | 112.2 | K5 V7 D11 H12 I13 | K5-Q9 WeakPolarHBondContact O-CB 3.47Å; K5-Q9 WeakPolarHBondContact O-CG 3.49Å; K5-Q9 PolarHBondContact O-N 3.17Å; V7-Q9 VanDerWaalsContact C-N 3.32Å; V7-Q9 PolarHBondContact O-N 3.08Å; Q9-D11 VanDerWaalsContact C-N 3.25Å; Q9-D11 PolarHBondContact O-N 2.74Å; Q9-H12 PolarHBondContact O-N 2.95Å; Q9-I13 WeakPolarHBondContact O-CD1 3.31Å; Q9-I13 VanDerWaalsContact O-CG1 3.23Å; Q9-I13 WeakPolarHBondContact O-CG1 3.44Å; Q9-I13 PolarHBondContact O-N 3.49Å |
| 10 | G | 81.3 | Confident | 79.1 | Confident | 30 Ų | 30 | 83.9 Ų | 83.9 | 31% | 0.309 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N6 V7 I13 I14 | N6-G10 PolarHBondContact O-N 3.44Å; N6-G10 VanDerWaalsContact O-N 3.07Å; V7-G10 PolarHBondContact O-N 2.66Å; V7-G10 VanDerWaalsContact O-N 3.14Å; G10-I13 PolarHBondContact O-N 2.86Å; G10-I14 WeakPolarHBondContact O-CG1 3.33Å; G10-I14 PolarHBondContact O-N 3.33Å; G10-I14 VanDerWaalsContact O-N 3.14Å |
| 11 | D | 85.5 | Confident | 80 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 16% | 0.16 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.3 | -42.6 | 179.2 | -78.4 | -4.8 | 0 | 0 | 0 | 112.5 | V7 E8 Q9 I13 I14 V15 K67 L71 | V7-D11 WeakPolarHBondContact O-CB 3.39Å; V7-D11 VanDerWaalsContact O-CG 3.3Å; V7-D11 PolarHBondContact O-N 3.23Å; E8-D11 PolarHBondContact O-N 3.27Å; Q9-D11 VanDerWaalsContact C-N 3.25Å; Q9-D11 PolarHBondContact O-N 2.74Å; D11-I13 VanDerWaalsContact C-N 3.32Å; D11-I13 PolarHBondContact O-N 3.49Å; D11-I14 PolarHBondContact O-N 3.11Å; D11-V15 PolarHBondContact O-N 3.26Å; D11-K67 WeakPolarHBondContact OD1-CD 3.44Å; D11-K67 VanDerWaalsContact OD1-CE 3.31Å; D11-K67 WeakPolarHBondContact OD1-CE 3.3Å; D11-K67 IonicContact OD1-NZ 2.73Å; D11-K67 PolarHBondContact OD1-NZ 3.4Å; D11-L71 HydrophobicContact CB-CD1 3.55Å |
| 12 | H | 87 | Confident | 82 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 67% | 0.667 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.6 | -35.6 | 171.7 | -85.8 | -65.9 | 0 | 0 | 0 | 113.1 | E8 Q9 I14 V15 S16 | E8-H12 PolarHBondContact O-CD2 3.06Å; E8-H12 PolarHBondContact O-N 3.17Å; Q9-H12 PolarHBondContact O-N 2.95Å; H12-I14 VanDerWaalsContact C-N 3.33Å; H12-I14 PolarHBondContact O-N 2.97Å; H12-V15 PolarHBondContact O-N 3.11Å; H12-S16 WeakPolarHBondContact O-CB 3.16Å; H12-S16 PolarHBondContact O-N 2.97Å |
| 13 | I | 92.6 | Very high | 84 | Confident | 117 Ų | 117 | 75.3 Ų | 75.3 | 60% | 0.6 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 175.7 | -69.6 | 163.5 | 0 | 0 | 0 | 110.7 | Q9 G10 D11 S16 E17 | Q9-I13 WeakPolarHBondContact O-CD1 3.31Å; Q9-I13 VanDerWaalsContact O-CG1 3.23Å; Q9-I13 WeakPolarHBondContact O-CG1 3.44Å; Q9-I13 PolarHBondContact O-N 3.49Å; G10-I13 PolarHBondContact O-N 2.86Å; D11-I13 VanDerWaalsContact C-N 3.32Å; D11-I13 PolarHBondContact O-N 3.49Å; I13-S16 PolarHBondContact O-N 3.46Å; I13-E17 WeakPolarHBondContact O-CB 3.27Å; I13-E17 PolarHBondContact O-N 3.12Å |
| 14 | I | 93.6 | Very high | 85.8 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 178 | -70.7 | 168 | 0 | 0 | 0 | 111 | G10 D11 H12 F18 F60 H64 K67 L68 | G10-I14 WeakPolarHBondContact O-CG1 3.33Å; G10-I14 PolarHBondContact O-N 3.33Å; G10-I14 VanDerWaalsContact O-N 3.14Å; D11-I14 PolarHBondContact O-N 3.11Å; H12-I14 VanDerWaalsContact C-N 3.33Å; H12-I14 PolarHBondContact O-N 2.97Å; I14-F18 WeakPolarHBondContact O-CB 3.4Å; I14-F18 PolarHBondContact O-N 2.95Å; I14-F60 HydrophobicContact CG2-CE1 4.01Å; I14-F60 HydrophobicContact CG2-CZ 4.17Å; I14-F60 WeakPolarHBondContact O-CE1 3.4Å; I14-H64 HydrophobicContact CG2-CB 3.69Å; I14-K67 HydrophobicContact CD1-CD 3.48Å; I14-K67 VanDerWaalsContact CD1-CD 3.48Å; I14-L68 HydrophobicContact CG2-CD2 4.16Å; I14-L68 HydrophobicContact CG2-CG 4.46Å |
| 15 | V | 94.1 | Very high | 87.6 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 111 | D11 H12 F18 C19 L71 Y72 | D11-V15 PolarHBondContact O-N 3.26Å; H12-V15 PolarHBondContact O-N 3.11Å; V15-F18 PolarHBondContact O-N 3.28Å; V15-C19 PolarHBondContact O-N 3.27Å; V15-C19 PolarHBondContact O-SG 3.29Å; V15-C19 VanDerWaalsContact O-SG 3.38Å; V15-L71 HydrophobicContact CG2-CB 3.85Å; V15-L71 HydrophobicContact CG2-CD1 4.46Å; V15-Y72 HydrophobicContact CG1-CD2 3.8Å; V15-Y72 HydrophobicContact CG1-CG 4.34Å |
| 16 | S | 94.9 | Very high | 89.1 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 57% | 0.566 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | 178.5 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | H12 I13 F18 C19 H20 | H12-S16 WeakPolarHBondContact O-CB 3.16Å; H12-S16 PolarHBondContact O-N 2.97Å; I13-S16 PolarHBondContact O-N 3.46Å; S16-F18 VanDerWaalsContact C-N 3.35Å; S16-F18 PolarHBondContact O-N 3.07Å; S16-C19 PolarHBondContact O-N 3.01Å; S16-H20 WeakPolarHBondContact O-CB 3.32Å; S16-H20 PolarHBondContact O-N 3.44Å |
| 17 | E | 96.2 | Very high | 90.5 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 176.8 | 179.3 | 66.8 | -173 | 0 | 0 | 111.2 | I13 H20 L21 K56 F60 | I13-E17 WeakPolarHBondContact O-CB 3.27Å; I13-E17 PolarHBondContact O-N 3.12Å; E17-H20 PolarHBondContact O-N 2.88Å; E17-L21 HydrophobicContact CG-CD1 4.15Å; E17-L21 HydrophobicContact CG-CG 4.47Å; E17-L21 WeakPolarHBondContact O-CB 3.41Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.36Å; E17-L21 PolarHBondContact O-N 3.35Å; E17-K56 IonicContact OE1-NZ 3.68Å; E17-K56 PolarHBondContact OE1-NZ 3.01Å; E17-F60 HydrophobicContact CB-CE1 4.39Å; E17-F60 HydrophobicContact CB-CE2 4.35Å; E17-F60 HydrophobicContact CB-CZ 3.84Å; E17-F60 HydrophobicContact CG-CD2 4.39Å; E17-F60 HydrophobicContact CG-CE1 4.36Å; E17-F60 HydrophobicContact CG-CE2 3.73Å; E17-F60 HydrophobicContact CG-CZ 3.71Å |
| 18 | F | 96.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 174.5 | 177.5 | -103 | 0 | 0 | 0 | 112 | I14 V15 S16 H20 L21 L22 L57 F60 Q61 L68 Y72 L74 | I14-F18 WeakPolarHBondContact O-CB 3.4Å; I14-F18 PolarHBondContact O-N 2.95Å; V15-F18 PolarHBondContact O-N 3.28Å; S16-F18 VanDerWaalsContact C-N 3.35Å; S16-F18 PolarHBondContact O-N 3.07Å; F18-H20 VanDerWaalsContact C-N 3.34Å; F18-H20 PolarHBondContact O-N 2.94Å; F18-L21 PolarHBondContact O-N 2.76Å; F18-L22 HydrophobicContact CE1-CD2 4.43Å; F18-L22 WeakPolarHBondContact O-CB 3.39Å; F18-L22 PolarHBondContact O-N 3.13Å; F18-L57 HydrophobicContact CD2-CD1 3.75Å; F18-L57 HydrophobicContact CE2-CD1 3.54Å; F18-L57 HydrophobicContact CZ-CD1 4.43Å; F18-F60 HydrophobicContact CB-CD1 4.12Å; F18-F60 HydrophobicContact CB-CE1 3.91Å; F18-F60 HydrophobicContact CD2-CD1 4.29Å; F18-Q61 HydrophobicContact CD2-CB 4.45Å; F18-Q61 HydrophobicContact CE2-CB 3.95Å; F18-L68 HydrophobicContact CB-CD1 4.47Å; F18-L68 HydrophobicContact CB-CD2 3.68Å; F18-L68 HydrophobicContact CD1-CD2 4.02Å; F18-L68 HydrophobicContact CD2-CD1 3.83Å; F18-L68 HydrophobicContact CD2-CD2 4.38Å; F18-L68 HydrophobicContact CE2-CD1 4.24Å; F18-L68 HydrophobicContact CG-CD1 4.06Å; F18-L68 HydrophobicContact CG-CD2 3.76Å; F18-Y72 HydrophobicContact CD1-CD1 4.3Å; F18-Y72 HydrophobicContact CD1-CE1 4.2Å; F18-Y72 HydrophobicContact CD1-CG 4.5Å; F18-Y72 HydrophobicContact CE1-CD1 4.03Å; F18-Y72 AromaticContact CE1-CE1 3.63Å; F18-Y72 HydrophobicContact CE1-CE1 3.63Å; F18-Y72 AromaticContact CE1-CZ 3.94Å; F18-L74 HydrophobicContact CE1-CD1 4.05Å; F18-L74 HydrophobicContact CZ-CD1 3.79Å |
| 19 | C | 95.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 62.7 Ų | 62.7 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 176 | -73.5 | 0 | 0 | 0 | 0 | 111.7 | V15 S16 L22 E23 Y72 | V15-C19 PolarHBondContact O-N 3.27Å; V15-C19 PolarHBondContact O-SG 3.29Å; V15-C19 VanDerWaalsContact O-SG 3.38Å; S16-C19 PolarHBondContact O-N 3.01Å; C19-L22 PolarHBondContact O-N 3.36Å; C19-E23 PolarHBondContact O-N 2.98Å; C19-Y72 VanDerWaalsContact SG-CE2 3.53Å |
| 20 | H | 97.1 | Very high | 93.5 | Very high | 93 Ų | 93 | 61.1 Ų | 61.1 | 43% | 0.431 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 176.7 | 179.3 | 68.1 | 0 | 0 | 0 | 112 | S16 E17 F18 L22 E23 K24 | S16-H20 WeakPolarHBondContact O-CB 3.32Å; S16-H20 PolarHBondContact O-N 3.44Å; E17-H20 PolarHBondContact O-N 2.88Å; F18-H20 VanDerWaalsContact C-N 3.34Å; F18-H20 PolarHBondContact O-N 2.94Å; H20-L22 VanDerWaalsContact C-N 3.32Å; H20-L22 PolarHBondContact O-N 3.31Å; H20-E23 PolarHBondContact O-N 3.37Å; H20-K24 VanDerWaalsContact O-CB 3.23Å; H20-K24 WeakPolarHBondContact O-CB 3.38Å; H20-K24 PolarHBondContact O-N 3.48Å |
| 21 | L | 97.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.7 | -70.5 | 172.5 | 0 | 0 | 0 | 111.7 | E17 F18 S25 K56 L57 F60 | E17-L21 HydrophobicContact CG-CD1 4.15Å; E17-L21 HydrophobicContact CG-CG 4.47Å; E17-L21 WeakPolarHBondContact O-CB 3.41Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.36Å; E17-L21 PolarHBondContact O-N 3.35Å; F18-L21 PolarHBondContact O-N 2.76Å; L21-S25 WeakPolarHBondContact O-CB 3.32Å; L21-S25 PolarHBondContact O-N 2.83Å; L21-S25 PolarHBondContact O-OG 2.86Å; L21-K56 HydrophobicContact CD1-CD 4.43Å; L21-K56 HydrophobicContact CD1-CG 4.22Å; L21-K56 HydrophobicContact CD2-CB 4.5Å; L21-K56 HydrophobicContact CD2-CD 3.75Å; L21-K56 HydrophobicContact CD2-CG 4.15Å; L21-L57 HydrophobicContact CB-CB 4.27Å; L21-L57 HydrophobicContact CB-CD1 3.79Å; L21-F60 HydrophobicContact CD1-CB 3.99Å; L21-F60 HydrophobicContact CD1-CD1 4.38Å; L21-F60 HydrophobicContact CD1-CD2 4.28Å; L21-F60 HydrophobicContact CD1-CG 3.96Å |
| 22 | L | 96.1 | Very high | 93.9 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 178.3 | -172.5 | 67.1 | 0 | 0 | 0 | 111.3 | F18 C19 H20 S25 K26 L57 V82 | F18-L22 HydrophobicContact CE1-CD2 4.43Å; F18-L22 WeakPolarHBondContact O-CB 3.39Å; F18-L22 PolarHBondContact O-N 3.13Å; C19-L22 PolarHBondContact O-N 3.36Å; H20-L22 VanDerWaalsContact C-N 3.32Å; H20-L22 PolarHBondContact O-N 3.31Å; L22-S25 PolarHBondContact O-N 3.02Å; L22-S25 PolarHBondContact O-OG 2.75Å; L22-K26 WeakPolarHBondContact O-CG 3.42Å; L22-K26 PolarHBondContact O-N 3.39Å; L22-K26 VanDerWaalsContact O-N 3.13Å; L22-L57 HydrophobicContact CD1-CD2 4.04Å; L22-V82 HydrophobicContact CD1-CG2 4.37Å |
| 23 | E | 96.5 | Very high | 93.5 | Very high | 140 Ų | 140 | 62 Ų | 62 | 65% | 0.654 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.5 | -47.4 | 178.3 | -174.9 | 167.5 | -156 | 0 | 0 | 111.9 | C19 H20 S25 K26 Q27 | C19-E23 PolarHBondContact O-N 2.98Å; H20-E23 PolarHBondContact O-N 3.37Å; E23-S25 VanDerWaalsContact C-N 3.31Å; E23-S25 PolarHBondContact O-N 3.01Å; E23-K26 PolarHBondContact O-N 2.84Å; E23-K26 VanDerWaalsContact O-N 3.17Å; E23-Q27 PolarHBondContact O-N 3.05Å |
| 24 | K | 97.2 | Very high | 92.7 | Very high | 89 Ų | 89 | 61.7 Ų | 61.7 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 177 | -171.8 | 175.1 | -175.5 | 172 | 0 | 112.1 | H20 Q27 L28 V53 | H20-K24 VanDerWaalsContact O-CB 3.23Å; H20-K24 WeakPolarHBondContact O-CB 3.38Å; H20-K24 PolarHBondContact O-N 3.48Å; K24-Q27 PolarHBondContact O-N 3.03Å; K24-L28 HydrophobicContact CG-CD1 4.37Å; K24-L28 WeakPolarHBondContact O-CG 3.48Å; K24-L28 PolarHBondContact O-N 3.42Å; K24-V53 HydrophobicContact CB-CG1 4.33Å; K24-V53 HydrophobicContact CD-CG1 4.38Å; K24-V53 HydrophobicContact CD-CG2 4.27Å; K24-V53 HydrophobicContact CG-CG1 4.17Å; K24-V53 HydrophobicContact CG-CG2 4.48Å |
| 25 | S | 96.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 177.2 | 75.2 | 0 | 0 | 0 | 0 | 111.8 | L21 L22 E23 L28 F29 Y54 | L21-S25 WeakPolarHBondContact O-CB 3.32Å; L21-S25 PolarHBondContact O-N 2.83Å; L21-S25 PolarHBondContact O-OG 2.86Å; L22-S25 PolarHBondContact O-N 3.02Å; L22-S25 PolarHBondContact O-OG 2.75Å; E23-S25 VanDerWaalsContact C-N 3.31Å; E23-S25 PolarHBondContact O-N 3.01Å; S25-L28 PolarHBondContact O-N 3Å; S25-F29 VanDerWaalsContact O-CB 3.29Å; S25-F29 WeakPolarHBondContact O-CB 3.49Å; S25-F29 PolarHBondContact O-N 3.35Å; S25-Y54 WeakPolarHBondContact O-CE2 3.48Å |
| 26 | K | 94.1 | Very high | 90.9 | Very high | 99 Ų | 99 | 63.5 Ų | 63.5 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.1 | -72.2 | 172 | -179.5 | 175.6 | 0 | 111.8 | L22 E23 F29 N30 | L22-K26 WeakPolarHBondContact O-CG 3.42Å; L22-K26 PolarHBondContact O-N 3.39Å; L22-K26 VanDerWaalsContact O-N 3.13Å; E23-K26 PolarHBondContact O-N 2.84Å; E23-K26 VanDerWaalsContact O-N 3.17Å; K26-F29 PolarHBondContact O-N 2.89Å; K26-N30 WeakPolarHBondContact O-CB 3.48Å; K26-N30 VanDerWaalsContact O-CG 3.25Å; K26-N30 PolarHBondContact O-N 3.01Å; K26-N30 PolarHBondContact O-ND2 3.42Å |
| 27 | Q | 94.8 | Very high | 89.9 | Confident | 138 Ų | 138 | 65.1 Ų | 65.1 | 65% | 0.645 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.7 | -49.2 | 177.4 | -172.5 | -175 | 15.3 | 0 | 0 | 111.2 | E23 K24 N30 G31 | E23-Q27 PolarHBondContact O-N 3.05Å; K24-Q27 PolarHBondContact O-N 3.03Å; Q27-N30 PolarHBondContact O-N 3.17Å; Q27-G31 PolarHBondContact O-N 3.05Å; Q27-G31 VanDerWaalsContact O-N 3.09Å |
| 28 | L | 93.7 | Very high | 88.8 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.6 | -70.2 | 173.1 | 0 | 0 | 0 | 111.4 | K24 S25 N30 G31 L32 Y46 T50 V53 | K24-L28 HydrophobicContact CG-CD1 4.37Å; K24-L28 WeakPolarHBondContact O-CG 3.48Å; K24-L28 PolarHBondContact O-N 3.42Å; S25-L28 PolarHBondContact O-N 3Å; L28-N30 VanDerWaalsContact C-N 3.3Å; L28-N30 PolarHBondContact O-N 3.25Å; L28-G31 PolarHBondContact O-N 3.17Å; L28-G31 VanDerWaalsContact O-N 3.14Å; L28-L32 PolarHBondContact O-N 2.89Å; L28-Y46 HydrophobicContact CB-CE1 4.49Å; L28-Y46 HydrophobicContact CD2-CE1 4.21Å; L28-Y46 VanDerWaalsContact O-CE1 3.29Å; L28-Y46 WeakPolarHBondContact O-CE1 3.38Å; L28-Y46 PolarHBondContact O-OH 3.34Å; L28-T50 HydrophobicContact CB-CG2 3.97Å; L28-V53 HydrophobicContact CD1-CB 4.02Å; L28-V53 HydrophobicContact CD1-CG1 4.45Å; L28-V53 HydrophobicContact CD1-CG2 3.64Å |
| 29 | F | 92.5 | Very high | 87.5 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 178.2 | -163.9 | -82.9 | 0 | 0 | 0 | 112.3 | S25 K26 G31 L32 Y54 K85 Q88 L89 | S25-F29 VanDerWaalsContact O-CB 3.29Å; S25-F29 WeakPolarHBondContact O-CB 3.49Å; S25-F29 PolarHBondContact O-N 3.35Å; K26-F29 PolarHBondContact O-N 2.89Å; F29-G31 VanDerWaalsContact C-N 3.35Å; F29-L32 WeakPolarHBondContact O-CB 3.28Å; F29-L32 PolarHBondContact O-N 2.6Å; F29-Y54 HydrophobicContact CB-CE2 4.06Å; F29-Y54 AromaticContact CD2-CE2 3.84Å; F29-Y54 HydrophobicContact CD2-CE2 3.84Å; F29-Y54 HydrophobicContact CG-CE2 4.4Å; F29-K85 HydrophobicContact CD1-CD 4.18Å; F29-K85 HydrophobicContact CD2-CD 3.99Å; F29-K85 HydrophobicContact CE1-CD 3.98Å; F29-K85 HydrophobicContact CE2-CB 4.41Å; F29-K85 HydrophobicContact CE2-CD 3.76Å; F29-K85 HydrophobicContact CG-CD 4.21Å; F29-K85 HydrophobicContact CZ-CD 3.79Å; F29-Q88 HydrophobicContact CE2-CB 4.5Å; F29-Q88 HydrophobicContact CZ-CB 4.31Å; F29-Q88 VanDerWaalsContact CZ-CD 3.45Å; F29-Q88 HydrophobicContact CZ-CG 3.95Å; F29-L89 HydrophobicContact CD2-CD2 3.83Å; F29-L89 HydrophobicContact CD2-CG 4.2Å; F29-L89 HydrophobicContact CE2-CD2 3.69Å; F29-L89 HydrophobicContact CE2-CG 3.92Å |
| 30 | N | 91.3 | Very high | 86.2 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 49% | 0.492 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 177.5 | -71.2 | -19.3 | 0 | 0 | 0 | 111.5 | K26 Q27 L28 L32 R33 | K26-N30 WeakPolarHBondContact O-CB 3.48Å; K26-N30 VanDerWaalsContact O-CG 3.25Å; K26-N30 PolarHBondContact O-N 3.01Å; K26-N30 PolarHBondContact O-ND2 3.42Å; Q27-N30 PolarHBondContact O-N 3.17Å; L28-N30 VanDerWaalsContact C-N 3.3Å; L28-N30 PolarHBondContact O-N 3.25Å; N30-L32 PolarHBondContact O-N 2.97Å; N30-R33 VanDerWaalsContact O-CB 3.28Å; N30-R33 WeakPolarHBondContact O-CB 3.31Å; N30-R33 PolarHBondContact O-N 3.02Å |
| 31 | G | 88.6 | Confident | 84.7 | Confident | 15 Ų | 15 | 71.6 Ų | 71.6 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.6 | -22.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q27 L28 F29 R33 D34 L35 Y46 | Q27-G31 PolarHBondContact O-N 3.05Å; Q27-G31 VanDerWaalsContact O-N 3.09Å; L28-G31 PolarHBondContact O-N 3.17Å; L28-G31 VanDerWaalsContact O-N 3.14Å; F29-G31 VanDerWaalsContact C-N 3.35Å; G31-R33 PolarHBondContact O-N 3.4Å; G31-D34 PolarHBondContact O-N 3.38Å; G31-L35 PolarHBondContact O-N 2.97Å; G31-Y46 WeakPolarHBondContact CA-OH 3.48Å |
| 32 | L | 85.5 | Confident | 83.6 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.2 | -28 | 170.9 | -70.4 | 174.4 | 0 | 0 | 0 | 113.4 | L28 F29 N30 L35 Y46 F47 T50 L89 | L28-L32 PolarHBondContact O-N 2.89Å; F29-L32 WeakPolarHBondContact O-CB 3.28Å; F29-L32 PolarHBondContact O-N 2.6Å; N30-L32 PolarHBondContact O-N 2.97Å; L32-L35 HydrophobicContact CD2-CD1 3.91Å; L32-Y46 HydrophobicContact CD2-CD1 3.5Å; L32-Y46 HydrophobicContact CD2-CE1 4.01Å; L32-Y46 HydrophobicContact CG-CD1 4.07Å; L32-Y46 HydrophobicContact CG-CE1 4.06Å; L32-F47 HydrophobicContact CD1-CE1 4.3Å; L32-F47 HydrophobicContact CD1-CZ 4.41Å; L32-F47 HydrophobicContact CD2-CD1 4.37Å; L32-F47 HydrophobicContact CD2-CD2 3.52Å; L32-F47 HydrophobicContact CD2-CE1 4.38Å; L32-F47 HydrophobicContact CD2-CE2 3.56Å; L32-F47 HydrophobicContact CD2-CG 3.99Å; L32-F47 HydrophobicContact CD2-CZ 4Å; L32-T50 HydrophobicContact CD1-CG2 3.87Å; L32-L89 HydrophobicContact CD1-CD2 3.26Å |
| 33 | R | 78.7 | Confident | 82.8 | Confident | 196 Ų | 196 | 76.6 Ų | 76.6 | 74% | 0.74 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.5 | -35.6 | 177.1 | -173.6 | -172.2 | 65.3 | -174.2 | -3 | 111.5 | N30 G31 L35 | N30-R33 VanDerWaalsContact O-CB 3.28Å; N30-R33 WeakPolarHBondContact O-CB 3.31Å; N30-R33 PolarHBondContact O-N 3.02Å; G31-R33 PolarHBondContact O-N 3.4Å; R33-L35 VanDerWaalsContact C-N 3.34Å |
| 34 | D | 76.5 | Confident | 82.2 | Confident | 111 Ų | 111 | 74.5 Ų | 74.5 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -87.9 | -10.3 | -174.3 | -52 | -29.5 | 0 | 0 | 0 | 111.8 | G31 | G31-D34 PolarHBondContact O-N 3.38Å |
| 35 | L | 75.4 | Confident | 81.6 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -65.7 | 137.5 | 173.4 | -88.4 | 165.9 | 0 | 0 | 0 | 111.2 | G31 L32 R33 Q37 Y46 | G31-L35 PolarHBondContact O-N 2.97Å; L32-L35 HydrophobicContact CD2-CD1 3.91Å; R33-L35 VanDerWaalsContact C-N 3.34Å; L35-Q37 PolarHBondContact O-N 3.35Å; L35-Q37 VanDerWaalsContact O-N 3.17Å; L35-Y46 HydrophobicContact CD1-CD1 3.59Å; L35-Y46 HydrophobicContact CD1-CD2 4.02Å; L35-Y46 HydrophobicContact CD1-CE1 4.23Å; L35-Y46 HydrophobicContact CD1-CG 3.47Å; L35-Y46 VanDerWaalsContact CD1-CG 3.47Å |
| 36 | P | 72.7 | Confident | 81.2 | Confident | 54 Ų | 54 | 77 Ų | 77 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | trans | -51.2 | 127.4 | 168.8 | -24.1 | 33.1 | 0 | 0 | 0 | 109.9 | H38 | P36-H38 PolarHBondContact O-N 3.26Š| ||
| 37 | Q | 73.7 | Confident | 81 | Confident | 115 Ų | 115 | 72.4 Ų | 72.4 | 54% | 0.537 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -72.3 | -8.6 | 175.5 | -65.5 | -179.7 | 5.3 | 0 | 0 | 111.9 | L35 Y316 | L35-Q37 PolarHBondContact O-N 3.35Å; L35-Q37 VanDerWaalsContact O-N 3.17Å; Q37-Y316 HydrophobicContact CB-CE1 4.02Å; Q37-Y316 WeakPolarHBondContact CB-OH 3.45Å; Q37-Y316 PolarHBondContact OE1-OH 2.99Å |
| 38 | H | 73.2 | Confident | 80.8 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 30% | 0.296 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -109.5 | 146.5 | 176.6 | 58.1 | -86.2 | 0 | 0 | 0 | 111.7 | P36 Y303 Y316 T319 | P36-H38 PolarHBondContact O-N 3.26Å; H38-Y303 HydrophobicContact CB-CE1 4.24Å; H38-Y316 HydrophobicContact CB-CD1 4.1Å; H38-Y316 HydrophobicContact CB-CD2 4.32Å; H38-Y316 HydrophobicContact CB-CE1 4.31Å; H38-Y316 HydrophobicContact CB-CG 4.17Å; H38-Y316 AromaticContact ND1-CE2 3.8Å; H38-T319 HydrophobicContact CB-CG2 3.84Å; H38-T319 PolarHBondContact CD2-OG1 2.92Å |
| 39 | G | 71.2 | Confident | 80.7 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 19% | 0.186 | 35% | 0.349 | C | S | . | . | trans | 99.1 | 118.5 | 169 | 0 | 0 | 0 | 0 | 0 | 114.9 | R41 T319 D323 | G39-R41 PolarHBondContact O-N 3.26Å; G39-T319 VanDerWaalsContact N-CG2 3.26Å; G39-D323 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 40 | H | 67.4 | Low | 80.8 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 17% | 0.171 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.3 | -33.5 | -165.1 | -81.7 | -96.6 | 0 | 0 | 0 | 116.9 | E233 H301 D323 | H40-E233 IonicContact CD2-OE1 2.63Å; H40-E233 IonicContact CE1-OE1 2.97Å; H40-E233 PolarHBondContact CE1-OE1 3.06Å; H40-E233 IonicContact NE2-OE1 3.49Å; H40-E233 PolarHBondContact NE2-OE1 2.99Å; H40-E233 IonicContact NE2-OE2 3.71Å; H40-H301 AromaticContact CE1-CD2 3.58Å; H40-H301 AromaticContact CE1-CG 3.43Å; H40-H301 VanDerWaalsContact CE1-CG 3.43Å; H40-H301 AromaticContact NE2-CG 3.64Å; H40-H301 AromaticContact NE2-ND1 3.84Å; H40-D323 IonicContact CD2-OD2 3.22Å; H40-D323 PolarHBondContact CD2-OD2 3.44Å; H40-D323 VanDerWaalsContact CD2-OD2 3.26Å; H40-D323 IonicContact CG-OD2 2.68Å; H40-D323 PolarHBondContact N-OD2 2.72Å |
| 41 | R | 66.8 | Low | 80.9 | Confident | 221 Ų | 221 | 69.4 Ų | 69.4 | 83% | 0.834 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -79.4 | -33 | -162.5 | -67.6 | -173.5 | -177.8 | -173.7 | 0.3 | 114.5 | G39 | G39-R41 PolarHBondContact O-N 3.26Å |
| 42 | Q | 72.5 | Confident | 81.2 | Confident | 134 Ų | 134 | 74 Ų | 74 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -85.2 | -38.9 | -169.8 | -66.1 | -179.1 | -2.9 | 0 | 0 | 112.1 | ||
| 43 | W | 80.3 | Confident | 81.8 | Confident | 3 Ų | 3 | 74.3 Ų | 74.3 | 1% | 0.011 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.6 | -38 | -172.9 | 70.5 | -102.7 | 0 | 0 | 0 | 113.5 | V45 Y46 F47 Y93 R96 T97 | W43-V45 PolarHBondContact O-N 2.92Å; W43-Y46 PolarHBondContact O-N 3.46Å; W43-F47 HydrophobicContact CB-CD2 4.34Å; W43-F47 HydrophobicContact CE3-CB 4.45Å; W43-F47 AromaticContact CE3-CD2 3.56Å; W43-F47 HydrophobicContact CE3-CD2 3.56Å; W43-F47 AromaticContact CE3-CE2 3.99Å; W43-F47 HydrophobicContact CE3-CE2 3.99Å; W43-F47 HydrophobicContact CE3-CG 4.14Å; W43-F47 HydrophobicContact CZ3-CD2 4.29Å; W43-F47 WeakPolarHBondContact O-CB 3.41Å; W43-F47 WeakPolarHBondContact O-CD2 3.36Å; W43-F47 PolarHBondContact O-N 3.37Å; W43-Y93 HydrophobicContact CH2-CE2 4.21Å; W43-Y93 AromaticContact CZ3-CD2 3.76Å; W43-Y93 HydrophobicContact CZ3-CD2 3.76Å; W43-Y93 AromaticContact CZ3-CE2 3.56Å; W43-Y93 HydrophobicContact CZ3-CE2 3.56Å; W43-R96 VanDerWaalsContact CD1-NH1 3.3Å; W43-R96 HydrophobicContact CH2-CB 3.57Å; W43-R96 HydrophobicContact CH2-CG 4.29Å; W43-R96 HydrophobicContact CZ2-CB 3.73Å; W43-R96 HydrophobicContact CZ2-CG 4.37Å; W43-R96 HydrophobicContact CZ3-CB 4.18Å; W43-T97 HydrophobicContact CH2-CG2 4.02Å |
| 44 | K | 83.1 | Confident | 82.7 | Confident | 96 Ų | 96 | 65.3 Ų | 65.3 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | -176.4 | -73 | -175.6 | 179.6 | 178.2 | 0 | 112 | Y46 F47 G48 | K44-Y46 PolarHBondContact O-N 2.88Å; K44-F47 PolarHBondContact O-N 3.05Å; K44-G48 PolarHBondContact O-N 3.39Å |
| 45 | V | 85.5 | Confident | 83.5 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 178.4 | 179 | 0 | 0 | 0 | 0 | 111.1 | W43 G48 R49 | W43-V45 PolarHBondContact O-N 2.92Å; V45-G48 PolarHBondContact O-N 3Å; V45-R49 WeakPolarHBondContact O-CG 3.36Å; V45-R49 PolarHBondContact O-N 3.38Å; V45-R49 VanDerWaalsContact O-N 3.1Å |
| 46 | Y | 88.1 | Confident | 84.5 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -40.6 | 180 | -160.9 | -73.4 | 0 | 0 | 0 | 112 | L28 G31 L32 L35 W43 K44 R49 T50 | L28-Y46 HydrophobicContact CB-CE1 4.49Å; L28-Y46 HydrophobicContact CD2-CE1 4.21Å; L28-Y46 VanDerWaalsContact O-CE1 3.29Å; L28-Y46 WeakPolarHBondContact O-CE1 3.38Å; L28-Y46 PolarHBondContact O-OH 3.34Å; G31-Y46 WeakPolarHBondContact CA-OH 3.48Å; L32-Y46 HydrophobicContact CD2-CD1 3.5Å; L32-Y46 HydrophobicContact CD2-CE1 4.01Å; L32-Y46 HydrophobicContact CG-CD1 4.07Å; L32-Y46 HydrophobicContact CG-CE1 4.06Å; L35-Y46 HydrophobicContact CD1-CD1 3.59Å; L35-Y46 HydrophobicContact CD1-CD2 4.02Å; L35-Y46 HydrophobicContact CD1-CE1 4.23Å; L35-Y46 HydrophobicContact CD1-CG 3.47Å; L35-Y46 VanDerWaalsContact CD1-CG 3.47Å; W43-Y46 PolarHBondContact O-N 3.46Å; K44-Y46 PolarHBondContact O-N 2.88Å; Y46-R49 PolarHBondContact O-N 2.98Å; Y46-T50 WeakPolarHBondContact O-CB 3.29Å; Y46-T50 PolarHBondContact O-N 3.04Å; Y46-T50 PolarHBondContact O-OG1 3.29Å |
| 47 | F | 89.2 | Confident | 85.7 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 172.2 | -97.2 | -92.5 | 0 | 0 | 0 | 111.2 | L32 W43 K44 R49 T50 F51 H92 Y93 | L32-F47 HydrophobicContact CD1-CE1 4.3Å; L32-F47 HydrophobicContact CD1-CZ 4.41Å; L32-F47 HydrophobicContact CD2-CD1 4.37Å; L32-F47 HydrophobicContact CD2-CD2 3.52Å; L32-F47 HydrophobicContact CD2-CE1 4.38Å; L32-F47 HydrophobicContact CD2-CE2 3.56Å; L32-F47 HydrophobicContact CD2-CG 3.99Å; L32-F47 HydrophobicContact CD2-CZ 4Å; W43-F47 HydrophobicContact CB-CD2 4.34Å; W43-F47 HydrophobicContact CE3-CB 4.45Å; W43-F47 AromaticContact CE3-CD2 3.56Å; W43-F47 HydrophobicContact CE3-CD2 3.56Å; W43-F47 AromaticContact CE3-CE2 3.99Å; W43-F47 HydrophobicContact CE3-CE2 3.99Å; W43-F47 HydrophobicContact CE3-CG 4.14Å; W43-F47 HydrophobicContact CZ3-CD2 4.29Å; W43-F47 WeakPolarHBondContact O-CB 3.41Å; W43-F47 WeakPolarHBondContact O-CD2 3.36Å; W43-F47 PolarHBondContact O-N 3.37Å; K44-F47 PolarHBondContact O-N 3.05Å; F47-R49 PolarHBondContact O-N 3.5Å; F47-T50 PolarHBondContact O-N 3.36Å; F47-T50 VanDerWaalsContact O-N 3.13Å; F47-F51 HydrophobicContact CD1-CD2 4.38Å; F47-F51 HydrophobicContact CD1-CE2 4.03Å; F47-F51 WeakPolarHBondContact O-CD2 3.46Å; F47-F51 PolarHBondContact O-N 3.48Å; F47-H92 HydrophobicContact CE1-CB 3.79Å; F47-H92 HydrophobicContact CZ-CB 3.77Å; F47-Y93 HydrophobicContact CB-CD2 4.18Å; F47-Y93 HydrophobicContact CB-CE2 4.27Å; F47-Y93 AromaticContact CD1-CD2 3.82Å; F47-Y93 HydrophobicContact CD1-CD2 3.82Å; F47-Y93 HydrophobicContact CE1-CD2 4.44Å; F47-Y93 HydrophobicContact CG-CD2 4.1Å |
| 48 | G | 89.8 | Confident | 86.8 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.6 | -52.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K44 V45 T50 F51 D52 | K44-G48 PolarHBondContact O-N 3.39Å; V45-G48 PolarHBondContact O-N 3Å; G48-T50 VanDerWaalsContact C-N 3.27Å; G48-T50 PolarHBondContact O-N 2.93Å; G48-F51 PolarHBondContact O-N 3.41Å; G48-D52 VanDerWaalsContact O-CG 3.24Å; G48-D52 PolarHBondContact O-N 3.38Å |
| 49 | R | 93 | Very high | 87.9 | Confident | 156 Ų | 156 | 62 Ų | 62 | 59% | 0.589 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.9 | -39.3 | 176.3 | -68 | 177.2 | -173 | -179.3 | 2.1 | 112.9 | V45 Y46 F47 V53 | V45-R49 WeakPolarHBondContact O-CG 3.36Å; V45-R49 PolarHBondContact O-N 3.38Å; V45-R49 VanDerWaalsContact O-N 3.1Å; Y46-R49 PolarHBondContact O-N 2.98Å; F47-R49 PolarHBondContact O-N 3.5Å; R49-V53 WeakPolarHBondContact O-CG2 3.38Å; R49-V53 PolarHBondContact O-N 3.34Å |
| 50 | T | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 179.4 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | L28 L32 Y46 F47 G48 V53 Y54 L89 | L28-T50 HydrophobicContact CB-CG2 3.97Å; L32-T50 HydrophobicContact CD1-CG2 3.87Å; Y46-T50 WeakPolarHBondContact O-CB 3.29Å; Y46-T50 PolarHBondContact O-N 3.04Å; Y46-T50 PolarHBondContact O-OG1 3.29Å; F47-T50 PolarHBondContact O-N 3.36Å; F47-T50 VanDerWaalsContact O-N 3.13Å; G48-T50 VanDerWaalsContact C-N 3.27Å; G48-T50 PolarHBondContact O-N 2.93Å; T50-V53 PolarHBondContact O-N 3.04Å; T50-Y54 HydrophobicContact CG2-CD2 3.96Å; T50-Y54 HydrophobicContact CG2-CE2 4.11Å; T50-Y54 WeakPolarHBondContact O-CD2 3.25Å; T50-Y54 PolarHBondContact O-N 3.37Å; T50-L89 HydrophobicContact CG2-CD1 4.07Å; T50-L89 HydrophobicContact CG2-CD2 3.87Å |
| 51 | F | 93.8 | Very high | 90.5 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.8 | -93.6 | -70 | 0 | 0 | 0 | 112.3 | F47 G48 V53 Y54 T55 L89 Y90 Y93 | F47-F51 HydrophobicContact CD1-CD2 4.38Å; F47-F51 HydrophobicContact CD1-CE2 4.03Å; F47-F51 WeakPolarHBondContact O-CD2 3.46Å; F47-F51 PolarHBondContact O-N 3.48Å; G48-F51 PolarHBondContact O-N 3.41Å; F51-V53 PolarHBondContact O-N 3.24Å; F51-Y54 PolarHBondContact O-N 2.99Å; F51-T55 VanDerWaalsContact O-CB 3.3Å; F51-T55 WeakPolarHBondContact O-CB 3.45Å; F51-T55 PolarHBondContact O-N 2.83Å; F51-T55 PolarHBondContact O-OG1 3.11Å; F51-L89 HydrophobicContact CD1-CB 4.31Å; F51-L89 HydrophobicContact CD1-CD1 4.24Å; F51-L89 HydrophobicContact CE1-CB 3.67Å; F51-L89 HydrophobicContact CE1-CD1 4.39Å; F51-L89 HydrophobicContact CE2-CB 4.01Å; F51-L89 HydrophobicContact CG-CD1 4.49Å; F51-L89 HydrophobicContact CZ-CB 3.52Å; F51-Y90 AromaticContact CE1-CD1 3.87Å; F51-Y90 HydrophobicContact CE1-CD1 3.87Å; F51-Y90 HydrophobicContact CE1-CD2 4.07Å; F51-Y90 AromaticContact CE1-CE1 3.81Å; F51-Y90 HydrophobicContact CE1-CE1 3.81Å; F51-Y90 AromaticContact CE1-CE2 3.98Å; F51-Y90 HydrophobicContact CE1-CE2 3.98Å; F51-Y90 HydrophobicContact CE1-CG 4.01Å; F51-Y90 AromaticContact CE1-CZ 3.87Å; F51-Y90 AromaticContact CZ-CD1 3.81Å; F51-Y90 HydrophobicContact CZ-CD1 3.81Å; F51-Y90 HydrophobicContact CZ-CE1 4.1Å; F51-Y90 HydrophobicContact CZ-CG 4.08Å; F51-Y93 HydrophobicContact CE2-CD2 4.15Å; F51-Y93 HydrophobicContact CE2-CG 4.42Å |
| 52 | D | 95.1 | Very high | 91.8 | Very high | 110 Ų | 110 | 54.9 Ų | 54.9 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 179.7 | -68.4 | -24.8 | 0 | 0 | 0 | 111.5 | G48 T55 K56 | G48-D52 VanDerWaalsContact O-CG 3.24Å; G48-D52 PolarHBondContact O-N 3.38Å; D52-T55 PolarHBondContact O-N 3.45Å; D52-K56 WeakPolarHBondContact O-CB 3.45Å; D52-K56 PolarHBondContact O-N 2.92Å |
| 53 | V | 97.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 179.3 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | K24 L28 R49 T50 F51 T55 K56 L57 | K24-V53 HydrophobicContact CB-CG1 4.33Å; K24-V53 HydrophobicContact CD-CG1 4.38Å; K24-V53 HydrophobicContact CD-CG2 4.27Å; K24-V53 HydrophobicContact CG-CG1 4.17Å; K24-V53 HydrophobicContact CG-CG2 4.48Å; L28-V53 HydrophobicContact CD1-CB 4.02Å; L28-V53 HydrophobicContact CD1-CG1 4.45Å; L28-V53 HydrophobicContact CD1-CG2 3.64Å; R49-V53 WeakPolarHBondContact O-CG2 3.38Å; R49-V53 PolarHBondContact O-N 3.34Å; T50-V53 PolarHBondContact O-N 3.04Å; F51-V53 PolarHBondContact O-N 3.24Å; V53-T55 VanDerWaalsContact C-N 3.34Å; V53-T55 PolarHBondContact O-N 3.46Å; V53-K56 PolarHBondContact O-N 3.17Å; V53-L57 WeakPolarHBondContact O-CB 3.38Å; V53-L57 PolarHBondContact O-N 3.46Å |
| 54 | Y | 96.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 176 | -94.2 | -77.7 | 0 | 0 | 0 | 112.6 | S25 F29 T50 F51 L57 W58 V82 K85 I86 L89 | S25-Y54 WeakPolarHBondContact O-CE2 3.48Å; F29-Y54 HydrophobicContact CB-CE2 4.06Å; F29-Y54 AromaticContact CD2-CE2 3.84Å; F29-Y54 HydrophobicContact CD2-CE2 3.84Å; F29-Y54 HydrophobicContact CG-CE2 4.4Å; T50-Y54 HydrophobicContact CG2-CD2 3.96Å; T50-Y54 HydrophobicContact CG2-CE2 4.11Å; T50-Y54 WeakPolarHBondContact O-CD2 3.25Å; T50-Y54 PolarHBondContact O-N 3.37Å; F51-Y54 PolarHBondContact O-N 2.99Å; Y54-L57 HydrophobicContact CD1-CD2 4.4Å; Y54-L57 HydrophobicContact CE1-CD2 4.5Å; Y54-L57 PolarHBondContact O-N 3.21Å; Y54-W58 VanDerWaalsContact O-CB 3.32Å; Y54-W58 WeakPolarHBondContact O-CB 3.44Å; Y54-W58 PolarHBondContact O-N 2.92Å; Y54-V82 HydrophobicContact CD1-CG1 4.18Å; Y54-V82 HydrophobicContact CE1-CG1 4.46Å; Y54-K85 HydrophobicContact CD1-CB 4.38Å; Y54-K85 HydrophobicContact CE1-CB 3.54Å; Y54-K85 HydrophobicContact CE1-CG 4.31Å; Y54-I86 HydrophobicContact CD1-CD1 4.5Å; Y54-I86 HydrophobicContact CD1-CG1 3.87Å; Y54-I86 HydrophobicContact CG-CG1 4.2Å; Y54-L89 HydrophobicContact CD2-CD1 3.55Å; Y54-L89 HydrophobicContact CE2-CD1 4.13Å; Y54-L89 HydrophobicContact CG-CD1 3.95Å |
| 55 | T | 94.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 56.2 Ų | 56.2 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 175.7 | -59 | 0 | 0 | 0 | 0 | 110.7 | F51 D52 V53 W58 K59 | F51-T55 VanDerWaalsContact O-CB 3.3Å; F51-T55 WeakPolarHBondContact O-CB 3.45Å; F51-T55 PolarHBondContact O-N 2.83Å; F51-T55 PolarHBondContact O-OG1 3.11Å; D52-T55 PolarHBondContact O-N 3.45Å; V53-T55 VanDerWaalsContact C-N 3.34Å; V53-T55 PolarHBondContact O-N 3.46Å; T55-W58 PolarHBondContact O-N 3.41Å; T55-K59 HydrophobicContact CG2-CD 4.34Å; T55-K59 WeakPolarHBondContact O-CG 3.4Å; T55-K59 PolarHBondContact O-N 3.26Å |
| 56 | K | 96.8 | Very high | 94.6 | Very high | 110 Ų | 110 | 59.6 Ų | 59.6 | 48% | 0.478 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 173.7 | -169.7 | -179.8 | 178.9 | -152.4 | 0 | 110.5 | E17 L21 D52 V53 W58 K59 F60 | E17-K56 IonicContact OE1-NZ 3.68Å; E17-K56 PolarHBondContact OE1-NZ 3.01Å; L21-K56 HydrophobicContact CD1-CD 4.43Å; L21-K56 HydrophobicContact CD1-CG 4.22Å; L21-K56 HydrophobicContact CD2-CB 4.5Å; L21-K56 HydrophobicContact CD2-CD 3.75Å; L21-K56 HydrophobicContact CD2-CG 4.15Å; D52-K56 WeakPolarHBondContact O-CB 3.45Å; D52-K56 PolarHBondContact O-N 2.92Å; V53-K56 PolarHBondContact O-N 3.17Å; K56-W58 VanDerWaalsContact C-N 3.35Å; K56-W58 PolarHBondContact O-N 3.12Å; K56-K59 PolarHBondContact O-N 2.94Å; K56-F60 WeakPolarHBondContact O-CB 3.4Å; K56-F60 PolarHBondContact O-N 2.73Å |
| 57 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 176.4 | 177 | 62.1 | 0 | 0 | 0 | 111.8 | F18 L21 L22 V53 Y54 F60 Q61 V82 | F18-L57 HydrophobicContact CD2-CD1 3.75Å; F18-L57 HydrophobicContact CE2-CD1 3.54Å; F18-L57 HydrophobicContact CZ-CD1 4.43Å; L21-L57 HydrophobicContact CB-CB 4.27Å; L21-L57 HydrophobicContact CB-CD1 3.79Å; L22-L57 HydrophobicContact CD1-CD2 4.04Å; V53-L57 WeakPolarHBondContact O-CB 3.38Å; V53-L57 PolarHBondContact O-N 3.46Å; Y54-L57 HydrophobicContact CD1-CD2 4.4Å; Y54-L57 HydrophobicContact CE1-CD2 4.5Å; Y54-L57 PolarHBondContact O-N 3.21Å; L57-F60 PolarHBondContact O-N 3.28Å; L57-Q61 VanDerWaalsContact O-CG 3.31Å; L57-Q61 WeakPolarHBondContact O-CG 3.49Å; L57-Q61 PolarHBondContact O-N 2.76Å; L57-V82 HydrophobicContact CD2-CG1 3.97Å; L57-V82 HydrophobicContact CD2-CG2 3.99Å; L57-V82 HydrophobicContact CG-CG1 4.22Å |
| 58 | W | 96.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | -179.9 | -173.7 | -105.4 | 0 | 0 | 0 | 112.5 | Y54 T55 K56 Q61 Q62 I79 V82 A83 I86 F109 | Y54-W58 VanDerWaalsContact O-CB 3.32Å; Y54-W58 WeakPolarHBondContact O-CB 3.44Å; Y54-W58 PolarHBondContact O-N 2.92Å; T55-W58 PolarHBondContact O-N 3.41Å; K56-W58 VanDerWaalsContact C-N 3.35Å; K56-W58 PolarHBondContact O-N 3.12Å; W58-Q61 WeakPolarHBondContact O-CG 3.2Å; W58-Q61 PolarHBondContact O-NE2 3.4Å; W58-Q62 WeakPolarHBondContact O-CG 3.48Å; W58-Q62 PolarHBondContact O-N 2.99Å; W58-I79 HydrophobicContact CH2-CG2 4.03Å; W58-I79 HydrophobicContact CZ3-CG2 3.9Å; W58-V82 HydrophobicContact CE3-CB 4.26Å; W58-V82 HydrophobicContact CE3-CG1 3.77Å; W58-V82 HydrophobicContact CZ3-CB 4.41Å; W58-V82 HydrophobicContact CZ3-CG1 4.39Å; W58-A83 HydrophobicContact CH2-CB 3.76Å; W58-A83 HydrophobicContact CZ3-CB 3.69Å; W58-I86 HydrophobicContact CB-CD1 3.78Å; W58-I86 HydrophobicContact CD2-CD1 3.98Å; W58-I86 HydrophobicContact CE3-CD1 3.94Å; W58-I86 HydrophobicContact CG-CD1 3.94Å; W58-F109 HydrophobicContact CD2-CE1 4.49Å; W58-F109 HydrophobicContact CZ2-CE1 4.3Å |
| 59 | K | 96.3 | Very high | 95.3 | Very high | 101 Ų | 101 | 62.6 Ų | 62.6 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 175.6 | -71.1 | 179.3 | 179.3 | -179.1 | 0 | 111.4 | T55 K56 Q61 Q62 Q63 | T55-K59 HydrophobicContact CG2-CD 4.34Å; T55-K59 WeakPolarHBondContact O-CG 3.4Å; T55-K59 PolarHBondContact O-N 3.26Å; K56-K59 PolarHBondContact O-N 2.94Å; K59-Q61 PolarHBondContact O-N 3.19Å; K59-Q62 PolarHBondContact O-N 3.29Å; K59-Q62 VanDerWaalsContact O-N 3.1Å; K59-Q63 WeakPolarHBondContact O-CG 3.23Å; K59-Q63 PolarHBondContact O-N 2.78Å |
| 60 | F | 96.8 | Very high | 95.3 | Very high | 26 Ų | 26 | 62.8 Ų | 62.8 | 11% | 0.114 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | -178.8 | -164.8 | -90.8 | 0 | 0 | 0 | 111.8 | I14 E17 F18 L21 K56 L57 Q62 Q63 H64 | I14-F60 HydrophobicContact CG2-CE1 4.01Å; I14-F60 HydrophobicContact CG2-CZ 4.17Å; I14-F60 WeakPolarHBondContact O-CE1 3.4Å; E17-F60 HydrophobicContact CB-CE1 4.39Å; E17-F60 HydrophobicContact CB-CE2 4.35Å; E17-F60 HydrophobicContact CB-CZ 3.84Å; E17-F60 HydrophobicContact CG-CD2 4.39Å; E17-F60 HydrophobicContact CG-CE1 4.36Å; E17-F60 HydrophobicContact CG-CE2 3.73Å; E17-F60 HydrophobicContact CG-CZ 3.71Å; F18-F60 HydrophobicContact CB-CD1 4.12Å; F18-F60 HydrophobicContact CB-CE1 3.91Å; F18-F60 HydrophobicContact CD2-CD1 4.29Å; L21-F60 HydrophobicContact CD1-CB 3.99Å; L21-F60 HydrophobicContact CD1-CD1 4.38Å; L21-F60 HydrophobicContact CD1-CD2 4.28Å; L21-F60 HydrophobicContact CD1-CG 3.96Å; K56-F60 WeakPolarHBondContact O-CB 3.4Å; K56-F60 PolarHBondContact O-N 2.73Å; L57-F60 PolarHBondContact O-N 3.28Å; F60-Q62 VanDerWaalsContact C-N 3.28Å; F60-Q62 PolarHBondContact O-N 3.21Å; F60-Q63 PolarHBondContact O-N 3.06Å; F60-H64 AromaticContact CD2-CD2 3.81Å; F60-H64 AromaticContact CE1-CD2 3.8Å; F60-H64 AromaticContact CE2-CD2 3.6Å; F60-H64 AromaticContact CE2-NE2 3.76Å; F60-H64 AromaticContact CZ-CD2 3.6Å; F60-H64 PolarHBondContact O-CD2 2.98Å; F60-H64 PolarHBondContact O-N 3.48Å |
| 61 | Q | 96 | Very high | 95.2 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -28.6 | 176.8 | 62 | 74.9 | 6.3 | 0 | 0 | 113.7 | F18 L57 W58 K59 R65 L68 | F18-Q61 HydrophobicContact CD2-CB 4.45Å; F18-Q61 HydrophobicContact CE2-CB 3.95Å; L57-Q61 VanDerWaalsContact O-CG 3.31Å; L57-Q61 WeakPolarHBondContact O-CG 3.49Å; L57-Q61 PolarHBondContact O-N 2.76Å; W58-Q61 WeakPolarHBondContact O-CG 3.2Å; W58-Q61 PolarHBondContact O-NE2 3.4Å; K59-Q61 PolarHBondContact O-N 3.19Å; Q61-R65 WeakPolarHBondContact O-CA 3.44Å; Q61-R65 WeakPolarHBondContact O-CB 3.45Å; Q61-R65 PolarHBondContact O-N 3.18Å; Q61-R65 PolarHBondContact O-NH2 3.15Å; Q61-L68 HydrophobicContact CB-CD1 4.21Å |
| 62 | Q | 95.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 69.3 Ų | 69.3 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.2 | -44.6 | 177.3 | -72.8 | 179.1 | -21.1 | 0 | 0 | 110.9 | W58 K59 F60 | W58-Q62 WeakPolarHBondContact O-CG 3.48Å; W58-Q62 PolarHBondContact O-N 2.99Å; K59-Q62 PolarHBondContact O-N 3.29Å; K59-Q62 VanDerWaalsContact O-N 3.1Å; F60-Q62 VanDerWaalsContact C-N 3.28Å; F60-Q62 PolarHBondContact O-N 3.21Å |
| 63 | Q | 96.2 | Very high | 95.1 | Very high | 144 Ų | 144 | 66.1 Ų | 66.1 | 67% | 0.673 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.4 | -35.9 | -178.1 | -70.7 | 173.4 | -20.1 | 0 | 0 | 112.7 | K59 F60 | K59-Q63 WeakPolarHBondContact O-CG 3.23Å; K59-Q63 PolarHBondContact O-N 2.78Å; F60-Q63 PolarHBondContact O-N 3.06Å |
| 64 | H | 95.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 25% | 0.25 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 21.4 | -176.1 | -59 | -66 | 0 | 0 | 0 | 113.6 | I14 F60 Q66 K67 L68 | I14-H64 HydrophobicContact CG2-CB 3.69Å; F60-H64 AromaticContact CD2-CD2 3.81Å; F60-H64 AromaticContact CE1-CD2 3.8Å; F60-H64 AromaticContact CE2-CD2 3.6Å; F60-H64 AromaticContact CE2-NE2 3.76Å; F60-H64 AromaticContact CZ-CD2 3.6Å; F60-H64 PolarHBondContact O-CD2 2.98Å; F60-H64 PolarHBondContact O-N 3.48Å; H64-Q66 PolarHBondContact O-N 2.95Å; H64-K67 PolarHBondContact O-N 3Å; H64-L68 HydrophobicContact CB-CD1 4.32Å; H64-L68 HydrophobicContact CB-CG 4.35Å; H64-L68 WeakPolarHBondContact O-CG 3.44Å; H64-L68 PolarHBondContact O-N 3.02Å |
| 65 | R | 94.3 | Very high | 94.7 | Very high | 64 Ų | 64 | 70 Ų | 70 | 24% | 0.242 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -48.4 | -56.3 | -174.3 | 169.7 | 128.9 | -74 | 120.3 | 16.2 | 113.2 | Q61 K67 L68 D69 I79 | Q61-R65 WeakPolarHBondContact O-CA 3.44Å; Q61-R65 WeakPolarHBondContact O-CB 3.45Å; Q61-R65 PolarHBondContact O-N 3.18Å; Q61-R65 PolarHBondContact O-NH2 3.15Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3.31Å; R65-L68 PolarHBondContact O-N 3.48Å; R65-L68 VanDerWaalsContact O-N 3.15Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 3.17Å; R65-I79 VanDerWaalsContact NH2-CG1 3.33Å |
| 66 | Q | 93.1 | Very high | 94.7 | Very high | 155 Ų | 155 | 74.1 Ų | 74.1 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56.9 | -47.1 | -175.7 | -73.8 | 175.3 | -18.3 | 0 | 0 | 111.7 | H64 L68 D69 E70 | H64-Q66 PolarHBondContact O-N 2.95Å; Q66-L68 PolarHBondContact O-N 3.3Å; Q66-D69 PolarHBondContact O-N 2.81Å; Q66-E70 WeakPolarHBondContact O-CG 3.36Å; Q66-E70 PolarHBondContact O-N 3.28Å |
| 67 | K | 93.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 71.4 Ų | 71.4 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 178.5 | -64.9 | -174 | 173.3 | -159.9 | 0 | 112.7 | D11 I14 H64 R65 L71 | D11-K67 WeakPolarHBondContact OD1-CD 3.44Å; D11-K67 VanDerWaalsContact OD1-CE 3.31Å; D11-K67 WeakPolarHBondContact OD1-CE 3.3Å; D11-K67 IonicContact OD1-NZ 2.73Å; D11-K67 PolarHBondContact OD1-NZ 3.4Å; I14-K67 HydrophobicContact CD1-CD 3.48Å; I14-K67 VanDerWaalsContact CD1-CD 3.48Å; H64-K67 PolarHBondContact O-N 3Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3.31Å; K67-L71 HydrophobicContact CB-CD1 4.32Å; K67-L71 VanDerWaalsContact O-CB 3.25Å; K67-L71 WeakPolarHBondContact O-CB 3.38Å; K67-L71 WeakPolarHBondContact O-CG 3.28Å; K67-L71 PolarHBondContact O-N 2.82Å |
| 68 | L | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -69.7 | -35.3 | 177 | -67.9 | 172.1 | 0 | 0 | 0 | 112.1 | I14 F18 Q61 H64 R65 Q66 Y72 G73 L74 | I14-L68 HydrophobicContact CG2-CD2 4.16Å; I14-L68 HydrophobicContact CG2-CG 4.46Å; F18-L68 HydrophobicContact CB-CD1 4.47Å; F18-L68 HydrophobicContact CB-CD2 3.68Å; F18-L68 HydrophobicContact CD1-CD2 4.02Å; F18-L68 HydrophobicContact CD2-CD1 3.83Å; F18-L68 HydrophobicContact CD2-CD2 4.38Å; F18-L68 HydrophobicContact CE2-CD1 4.24Å; F18-L68 HydrophobicContact CG-CD1 4.06Å; F18-L68 HydrophobicContact CG-CD2 3.76Å; Q61-L68 HydrophobicContact CB-CD1 4.21Å; H64-L68 HydrophobicContact CB-CD1 4.32Å; H64-L68 HydrophobicContact CB-CG 4.35Å; H64-L68 WeakPolarHBondContact O-CG 3.44Å; H64-L68 PolarHBondContact O-N 3.02Å; R65-L68 PolarHBondContact O-N 3.48Å; R65-L68 VanDerWaalsContact O-N 3.15Å; Q66-L68 PolarHBondContact O-N 3.3Å; L68-Y72 CarbonylContact O-C 3.56Å; L68-Y72 WeakPolarHBondContact O-CA 3.47Å; L68-Y72 VanDerWaalsContact O-CB 3.29Å; L68-Y72 WeakPolarHBondContact O-CB 3.48Å; L68-Y72 PolarHBondContact O-N 3.19Å; L68-Y72 VanDerWaalsContact O-N 3.17Å; L68-G73 PolarHBondContact O-N 3.08Å; L68-L74 HydrophobicContact CB-CB 4.06Å; L68-L74 HydrophobicContact CB-CD2 3.94Å; L68-L74 HydrophobicContact CD1-CD2 4.25Å; L68-L74 WeakPolarHBondContact O-CB 3.34Å; L68-L74 PolarHBondContact O-N 3.36Å |
| 69 | D | 93.4 | Very high | 94.4 | Very high | 72 Ų | 72 | 71.8 Ų | 71.8 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | I | π-helix | trans | -66.1 | -43.7 | 175.8 | -68.7 | -5.4 | 0 | 0 | 0 | 110.3 | R65 Q66 G73 | R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 3.17Å; Q66-D69 PolarHBondContact O-N 2.81Å; D69-G73 WeakPolarHBondContact O-CA 3.34Å; D69-G73 PolarHBondContact O-N 3.39Å |
| 70 | E | 93.2 | Very high | 94.4 | Very high | 159 Ų | 159 | 67 Ų | 67 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | -75.3 | -47.5 | -178.1 | -71.3 | 173 | -174.1 | 0 | 0 | 113.8 | Q66 | Q66-E70 WeakPolarHBondContact O-CG 3.36Å; Q66-E70 PolarHBondContact O-N 3.28Å |
| 71 | L | 92.4 | Very high | 94.4 | Very high | 92 Ų | 92 | 67.7 Ų | 67.7 | 48% | 0.482 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -95.4 | -37.6 | -168.8 | -58.4 | 168.8 | 0 | 0 | 0 | 113.2 | D11 V15 K67 | D11-L71 HydrophobicContact CB-CD1 3.55Å; V15-L71 HydrophobicContact CG2-CB 3.85Å; V15-L71 HydrophobicContact CG2-CD1 4.46Å; K67-L71 HydrophobicContact CB-CD1 4.32Å; K67-L71 VanDerWaalsContact O-CB 3.25Å; K67-L71 WeakPolarHBondContact O-CB 3.38Å; K67-L71 WeakPolarHBondContact O-CG 3.28Å; K67-L71 PolarHBondContact O-N 2.82Å |
| 72 | Y | 92.3 | Very high | 94.4 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -93.2 | -20.6 | 179.2 | 174.3 | -98.3 | 0 | 0 | 0 | 112 | V15 F18 C19 L68 L74 Q78 | V15-Y72 HydrophobicContact CG1-CD2 3.8Å; V15-Y72 HydrophobicContact CG1-CG 4.34Å; F18-Y72 HydrophobicContact CD1-CD1 4.3Å; F18-Y72 HydrophobicContact CD1-CE1 4.2Å; F18-Y72 HydrophobicContact CD1-CG 4.5Å; F18-Y72 HydrophobicContact CE1-CD1 4.03Å; F18-Y72 AromaticContact CE1-CE1 3.63Å; F18-Y72 HydrophobicContact CE1-CE1 3.63Å; F18-Y72 AromaticContact CE1-CZ 3.94Å; C19-Y72 VanDerWaalsContact SG-CE2 3.53Å; L68-Y72 CarbonylContact O-C 3.56Å; L68-Y72 WeakPolarHBondContact O-CA 3.47Å; L68-Y72 VanDerWaalsContact O-CB 3.29Å; L68-Y72 WeakPolarHBondContact O-CB 3.48Å; L68-Y72 PolarHBondContact O-N 3.19Å; L68-Y72 VanDerWaalsContact O-N 3.17Å; Y72-L74 HydrophobicContact CD1-CB 3.94Å; Y72-L74 HydrophobicContact CD1-CD1 4.2Å; Y72-L74 HydrophobicContact CE1-CD1 4.04Å; Y72-Q78 PolarHBondContact OH-NE2 2.97Å |
| 73 | G | 94.2 | Very high | 94.5 | Very high | 44 Ų | 44 | 63.4 Ų | 63.4 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | trans | 72.6 | 37.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L68 D69 K75 | L68-G73 PolarHBondContact O-N 3.08Å; D69-G73 WeakPolarHBondContact O-CA 3.34Å; D69-G73 PolarHBondContact O-N 3.39Å; G73-K75 PolarHBondContact O-N 2.98Å | ||
| 74 | L | 94 | Very high | 94.5 | Very high | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | trans | -58.1 | 112.6 | -177.6 | -176.3 | 65.5 | 0 | 0 | 0 | 111.1 | F18 L68 Y72 Q78 I79 | F18-L74 HydrophobicContact CE1-CD1 4.05Å; F18-L74 HydrophobicContact CZ-CD1 3.79Å; L68-L74 HydrophobicContact CB-CB 4.06Å; L68-L74 HydrophobicContact CB-CD2 3.94Å; L68-L74 HydrophobicContact CD1-CD2 4.25Å; L68-L74 WeakPolarHBondContact O-CB 3.34Å; L68-L74 PolarHBondContact O-N 3.36Å; Y72-L74 HydrophobicContact CD1-CB 3.94Å; Y72-L74 HydrophobicContact CD1-CD1 4.2Å; Y72-L74 HydrophobicContact CE1-CD1 4.04Å; L74-Q78 HydrophobicContact CD1-CB 3.89Å; L74-I79 HydrophobicContact CD2-CD1 4.45Å; L74-I79 HydrophobicContact CD2-CG1 4.15Å; L74-I79 HydrophobicContact CG-CG1 4.34Å | ||
| 75 | K | 93.2 | Very high | 94.5 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | trans | -82.5 | 147.7 | 177.8 | -66.3 | -173.9 | 173.6 | -174.1 | 0 | 110.9 | G73 W77 Q78 E125 | G73-K75 PolarHBondContact O-N 2.98Å; K75-W77 HydrophobicContact CB-CG 4.36Å; K75-W77 HydrophobicContact CD-CZ2 4.33Å; K75-W77 PolarHBondContact O-N 3.14Å; K75-Q78 HydrophobicContact CB-CG 4.37Å; K75-Q78 WeakPolarHBondContact O-CB 3.47Å; K75-Q78 PolarHBondContact O-N 3.49Å; K75-E125 IonicContact NZ-OE1 3.71Å; K75-E125 PolarHBondContact NZ-OE1 2.74Å; K75-E125 IonicContact NZ-OE2 2.9Å; K75-E125 PolarHBondContact NZ-OE2 3.34Å | ||
| 76 | R | 93.9 | Very high | 94.7 | Very high | 143 Ų | 143 | 54.1 Ų | 54.1 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -52.8 | -39.8 | 177 | -70.9 | -176 | 71.9 | 108.2 | -4.9 | 113.4 | Q78 I79 G80 R116 Y118 | R76-Q78 VanDerWaalsContact C-N 3.27Å; R76-Q78 PolarHBondContact O-N 3.36Å; R76-I79 WeakPolarHBondContact O-CB 3.37Å; R76-I79 PolarHBondContact O-N 2.87Å; R76-G80 PolarHBondContact O-N 3.21Å; R76-G80 VanDerWaalsContact O-N 3.14Å; R76-R116 PolarHBondContact NH2-O 2.94Å; R76-Y118 HydrophobicContact CB-CD1 4.31Å; R76-Y118 WeakPolarHBondContact O-CD1 3.13Å |
| 77 | W | 94.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 20% | 0.197 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -26.5 | -179.4 | 67.3 | -106.3 | 0 | 0 | 0 | 112.9 | K75 I79 G80 E81 Y118 Y119 L130 | K75-W77 HydrophobicContact CB-CG 4.36Å; K75-W77 HydrophobicContact CD-CZ2 4.33Å; K75-W77 PolarHBondContact O-N 3.14Å; W77-I79 VanDerWaalsContact C-N 3.31Å; W77-G80 CarbonylContact O-C 3.54Å; W77-G80 WeakPolarHBondContact O-CA 3.2Å; W77-G80 PolarHBondContact O-N 2.81Å; W77-E81 WeakPolarHBondContact CZ3-OE2 3.08Å; W77-E81 PolarHBondContact O-N 3.15Å; W77-Y118 WeakPolarHBondContact CA-O 3.16Å; W77-Y118 WeakPolarHBondContact CB-O 3.46Å; W77-Y118 PolarHBondContact N-O 2.82Å; W77-Y119 HydrophobicContact CB-CD1 4.18Å; W77-Y119 HydrophobicContact CB-CE1 4.34Å; W77-L130 HydrophobicContact CB-CD1 3.95Å; W77-L130 HydrophobicContact CB-CD2 4.12Å; W77-L130 HydrophobicContact CD2-CD1 3.61Å; W77-L130 HydrophobicContact CD2-CD2 3.97Å; W77-L130 HydrophobicContact CD2-CG 4.48Å; W77-L130 HydrophobicContact CE3-CD1 3.6Å; W77-L130 HydrophobicContact CG-CD1 3.78Å; W77-L130 HydrophobicContact CG-CD2 3.64Å; W77-L130 HydrophobicContact CG-CG 4.4Å; W77-L130 HydrophobicContact CZ3-CD1 4.34Å |
| 78 | Q | 95 | Very high | 94.9 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 175 | -66.3 | 174.3 | -75.5 | 0 | 0 | 110.6 | Y72 L74 K75 R76 G80 E81 V82 | Y72-Q78 PolarHBondContact OH-NE2 2.97Å; L74-Q78 HydrophobicContact CD1-CB 3.89Å; K75-Q78 HydrophobicContact CB-CG 4.37Å; K75-Q78 WeakPolarHBondContact O-CB 3.47Å; K75-Q78 PolarHBondContact O-N 3.49Å; R76-Q78 VanDerWaalsContact C-N 3.27Å; R76-Q78 PolarHBondContact O-N 3.36Å; Q78-G80 VanDerWaalsContact C-N 3.35Å; Q78-E81 PolarHBondContact O-N 2.98Å; Q78-V82 WeakPolarHBondContact O-CG2 3.37Å; Q78-V82 PolarHBondContact O-N 2.87Å; Q78-V82 VanDerWaalsContact O-N 3.08Å |
| 79 | I | 95.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 172 | -50.4 | 167.5 | 0 | 0 | 0 | 109.8 | W58 R65 L74 R76 W77 E81 V82 A83 Y118 | W58-I79 HydrophobicContact CH2-CG2 4.03Å; W58-I79 HydrophobicContact CZ3-CG2 3.9Å; R65-I79 VanDerWaalsContact NH2-CG1 3.33Å; L74-I79 HydrophobicContact CD2-CD1 4.45Å; L74-I79 HydrophobicContact CD2-CG1 4.15Å; L74-I79 HydrophobicContact CG-CG1 4.34Å; R76-I79 WeakPolarHBondContact O-CB 3.37Å; R76-I79 PolarHBondContact O-N 2.87Å; W77-I79 VanDerWaalsContact C-N 3.31Å; I79-E81 VanDerWaalsContact C-N 3.28Å; I79-E81 PolarHBondContact O-N 3.45Å; I79-V82 PolarHBondContact O-N 3.27Å; I79-A83 PolarHBondContact O-N 3.35Å; I79-Y118 HydrophobicContact CB-CD1 4.16Å; I79-Y118 HydrophobicContact CB-CE1 3.83Å; I79-Y118 HydrophobicContact CD1-CE1 4.31Å; I79-Y118 HydrophobicContact CG2-CD1 4.48Å; I79-Y118 HydrophobicContact CG2-CE1 3.72Å |
| 80 | G | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -36.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R76 W77 Q78 S84 | R76-G80 PolarHBondContact O-N 3.21Å; R76-G80 VanDerWaalsContact O-N 3.14Å; W77-G80 CarbonylContact O-C 3.54Å; W77-G80 WeakPolarHBondContact O-CA 3.2Å; W77-G80 PolarHBondContact O-N 2.81Å; Q78-G80 VanDerWaalsContact C-N 3.35Å; G80-S84 VanDerWaalsContact O-CB 3.27Å; G80-S84 WeakPolarHBondContact O-CB 3.38Å; G80-S84 PolarHBondContact O-N 3.37Å |
| 81 | E | 95 | Very high | 95.1 | Very high | 40 Ų | 40 | 35.7 Ų | 35.7 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 175.7 | -175.9 | 171.1 | -166 | 0 | 0 | 111.5 | W77 Q78 I79 S84 K85 K133 | W77-E81 WeakPolarHBondContact CZ3-OE2 3.08Å; W77-E81 PolarHBondContact O-N 3.15Å; Q78-E81 PolarHBondContact O-N 2.98Å; I79-E81 VanDerWaalsContact C-N 3.28Å; I79-E81 PolarHBondContact O-N 3.45Å; E81-S84 PolarHBondContact O-N 3Å; E81-K85 WeakPolarHBondContact O-CG 3.48Å; E81-K85 PolarHBondContact O-N 3.39Å; E81-K133 WeakPolarHBondContact OE1-CE 3.28Å; E81-K133 IonicContact OE1-NZ 2.86Å; E81-K133 PolarHBondContact OE1-NZ 3.1Å; E81-K133 IonicContact OE2-NZ 3.49Å; E81-K133 PolarHBondContact OE2-NZ 3.35Å |
| 82 | V | 96.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | L22 Y54 L57 W58 Q78 I79 S84 K85 I86 | L22-V82 HydrophobicContact CD1-CG2 4.37Å; Y54-V82 HydrophobicContact CD1-CG1 4.18Å; Y54-V82 HydrophobicContact CE1-CG1 4.46Å; L57-V82 HydrophobicContact CD2-CG1 3.97Å; L57-V82 HydrophobicContact CD2-CG2 3.99Å; L57-V82 HydrophobicContact CG-CG1 4.22Å; W58-V82 HydrophobicContact CE3-CB 4.26Å; W58-V82 HydrophobicContact CE3-CG1 3.77Å; W58-V82 HydrophobicContact CZ3-CB 4.41Å; W58-V82 HydrophobicContact CZ3-CG1 4.39Å; Q78-V82 WeakPolarHBondContact O-CG2 3.37Å; Q78-V82 PolarHBondContact O-N 2.87Å; Q78-V82 VanDerWaalsContact O-N 3.08Å; I79-V82 PolarHBondContact O-N 3.27Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 3.26Å; V82-K85 PolarHBondContact O-N 3.33Å; V82-I86 HydrophobicContact CG1-CD1 4.02Å; V82-I86 WeakPolarHBondContact O-CG1 3.49Å; V82-I86 PolarHBondContact O-N 3.13Å |
| 83 | A | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W58 I79 K85 I86 G87 F109 I113 | W58-A83 HydrophobicContact CH2-CB 3.76Å; W58-A83 HydrophobicContact CZ3-CB 3.69Å; I79-A83 PolarHBondContact O-N 3.35Å; A83-K85 VanDerWaalsContact C-N 3.29Å; A83-K85 PolarHBondContact O-N 3.23Å; A83-I86 PolarHBondContact O-N 3.4Å; A83-G87 PolarHBondContact O-N 3.11Å; A83-F109 HydrophobicContact CB-CD1 3.98Å; A83-I113 HydrophobicContact CB-CD1 3.82Å; A83-I113 HydrophobicContact CB-CG1 3.73Å |
| 84 | S | 97 | Very high | 94.9 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 179.4 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | G80 E81 V82 G87 Q88 | G80-S84 VanDerWaalsContact O-CB 3.27Å; G80-S84 WeakPolarHBondContact O-CB 3.38Å; G80-S84 PolarHBondContact O-N 3.37Å; E81-S84 PolarHBondContact O-N 3Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 3.26Å; S84-G87 PolarHBondContact O-N 2.91Å; S84-Q88 WeakPolarHBondContact O-CB 3.45Å; S84-Q88 PolarHBondContact O-N 3.33Å |
| 85 | K | 96.2 | Very high | 94.7 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 22% | 0.222 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.2 | -40.6 | 176.3 | -70 | -69.2 | 175.6 | -175.1 | 0 | 112.7 | F29 Y54 E81 V82 A83 Q88 L89 | F29-K85 HydrophobicContact CD1-CD 4.18Å; F29-K85 HydrophobicContact CD2-CD 3.99Å; F29-K85 HydrophobicContact CE1-CD 3.98Å; F29-K85 HydrophobicContact CE2-CB 4.41Å; F29-K85 HydrophobicContact CE2-CD 3.76Å; F29-K85 HydrophobicContact CG-CD 4.21Å; F29-K85 HydrophobicContact CZ-CD 3.79Å; Y54-K85 HydrophobicContact CD1-CB 4.38Å; Y54-K85 HydrophobicContact CE1-CB 3.54Å; Y54-K85 HydrophobicContact CE1-CG 4.31Å; E81-K85 WeakPolarHBondContact O-CG 3.48Å; E81-K85 PolarHBondContact O-N 3.39Å; V82-K85 PolarHBondContact O-N 3.33Å; A83-K85 VanDerWaalsContact C-N 3.29Å; A83-K85 PolarHBondContact O-N 3.23Å; K85-Q88 WeakPolarHBondContact O-CB 3.4Å; K85-Q88 PolarHBondContact O-N 2.86Å; K85-L89 WeakPolarHBondContact O-CG 3.37Å; K85-L89 PolarHBondContact O-N 3.49Å |
| 86 | I | 96.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.036 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 174.1 | -65.2 | 165.9 | 0 | 0 | 0 | 110.4 | Y54 W58 V82 A83 Q88 L89 Y90 F109 | Y54-I86 HydrophobicContact CD1-CD1 4.5Å; Y54-I86 HydrophobicContact CD1-CG1 3.87Å; Y54-I86 HydrophobicContact CG-CG1 4.2Å; W58-I86 HydrophobicContact CB-CD1 3.78Å; W58-I86 HydrophobicContact CD2-CD1 3.98Å; W58-I86 HydrophobicContact CE3-CD1 3.94Å; W58-I86 HydrophobicContact CG-CD1 3.94Å; V82-I86 HydrophobicContact CG1-CD1 4.02Å; V82-I86 WeakPolarHBondContact O-CG1 3.49Å; V82-I86 PolarHBondContact O-N 3.13Å; A83-I86 PolarHBondContact O-N 3.4Å; I86-Q88 PolarHBondContact O-N 3.17Å; I86-L89 WeakPolarHBondContact O-CB 3.49Å; I86-L89 PolarHBondContact O-N 2.74Å; I86-L89 VanDerWaalsContact O-N 3.08Å; I86-Y90 HydrophobicContact CG2-CD2 3.77Å; I86-Y90 HydrophobicContact CG2-CE2 3.54Å; I86-Y90 VanDerWaalsContact O-CD2 3.3Å; I86-Y90 WeakPolarHBondContact O-CD2 3.02Å; I86-Y90 PolarHBondContact O-N 3.45Å; I86-F109 HydrophobicContact CB-CD1 4.1Å; I86-F109 HydrophobicContact CB-CE1 3.94Å; I86-F109 HydrophobicContact CB-CG 4.46Å; I86-F109 HydrophobicContact CB-CZ 4.18Å; I86-F109 HydrophobicContact CD1-CE1 4Å; I86-F109 HydrophobicContact CD1-CZ 4.38Å; I86-F109 HydrophobicContact CG2-CD1 4.07Å; I86-F109 HydrophobicContact CG2-CD2 3.9Å; I86-F109 HydrophobicContact CG2-CE1 3.68Å; I86-F109 HydrophobicContact CG2-CE2 3.52Å; I86-F109 HydrophobicContact CG2-CG 4.18Å; I86-F109 HydrophobicContact CG2-CZ 3.39Å |
| 87 | G | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.1 | -39 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A83 S84 Y90 H91 S106 | A83-G87 PolarHBondContact O-N 3.11Å; S84-G87 PolarHBondContact O-N 2.91Å; G87-Y90 PolarHBondContact O-N 2.9Å; G87-H91 PolarHBondContact O-N 3.28Å; G87-S106 WeakPolarHBondContact O-CB 3.46Å; G87-S106 PolarHBondContact O-OG 3.22Å |
| 88 | Q | 95.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 21.4 Ų | 21.4 | 8% | 0.084 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.4 | -38.9 | 175.2 | -170.1 | 176.1 | 7.9 | 0 | 0 | 112.8 | F29 S84 K85 I86 H91 H92 | F29-Q88 HydrophobicContact CE2-CB 4.5Å; F29-Q88 HydrophobicContact CZ-CB 4.31Å; F29-Q88 VanDerWaalsContact CZ-CD 3.45Å; F29-Q88 HydrophobicContact CZ-CG 3.95Å; S84-Q88 WeakPolarHBondContact O-CB 3.45Å; S84-Q88 PolarHBondContact O-N 3.33Å; K85-Q88 WeakPolarHBondContact O-CB 3.4Å; K85-Q88 PolarHBondContact O-N 2.86Å; I86-Q88 PolarHBondContact O-N 3.17Å; Q88-H91 PolarHBondContact O-N 3.34Å; Q88-H92 PolarHBondContact NE2-CE1 3.28Å; Q88-H92 PolarHBondContact NE2-NE2 3.14Å; Q88-H92 WeakPolarHBondContact O-CB 3.28Å; Q88-H92 PolarHBondContact O-CD2 2.67Å; Q88-H92 PolarHBondContact O-N 3.42Å |
| 89 | L | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.4 | -70.7 | 173.9 | 0 | 0 | 0 | 111.3 | F29 L32 T50 F51 Y54 K85 I86 H91 H92 Y93 | F29-L89 HydrophobicContact CD2-CD2 3.83Å; F29-L89 HydrophobicContact CD2-CG 4.2Å; F29-L89 HydrophobicContact CE2-CD2 3.69Å; F29-L89 HydrophobicContact CE2-CG 3.92Å; L32-L89 HydrophobicContact CD1-CD2 3.26Å; T50-L89 HydrophobicContact CG2-CD1 4.07Å; T50-L89 HydrophobicContact CG2-CD2 3.87Å; F51-L89 HydrophobicContact CD1-CB 4.31Å; F51-L89 HydrophobicContact CD1-CD1 4.24Å; F51-L89 HydrophobicContact CE1-CB 3.67Å; F51-L89 HydrophobicContact CE1-CD1 4.39Å; F51-L89 HydrophobicContact CE2-CB 4.01Å; F51-L89 HydrophobicContact CG-CD1 4.49Å; F51-L89 HydrophobicContact CZ-CB 3.52Å; Y54-L89 HydrophobicContact CD2-CD1 3.55Å; Y54-L89 HydrophobicContact CE2-CD1 4.13Å; Y54-L89 HydrophobicContact CG-CD1 3.95Å; K85-L89 WeakPolarHBondContact O-CG 3.37Å; K85-L89 PolarHBondContact O-N 3.49Å; I86-L89 WeakPolarHBondContact O-CB 3.49Å; I86-L89 PolarHBondContact O-N 2.74Å; I86-L89 VanDerWaalsContact O-N 3.08Å; L89-H91 PolarHBondContact O-N 3.47Å; L89-H92 PolarHBondContact O-N 2.99Å; L89-Y93 WeakPolarHBondContact O-CB 3.22Å; L89-Y93 PolarHBondContact O-N 3.3Å |
| 90 | Y | 96.1 | Very high | 93.1 | Very high | 47 Ų | 47 | 22.3 Ų | 22.3 | 18% | 0.184 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 175.4 | -82.4 | -60.4 | 0 | 0 | 0 | 112.3 | F51 I86 G87 Y93 Y94 Y102 E105 F109 | F51-Y90 AromaticContact CE1-CD1 3.87Å; F51-Y90 HydrophobicContact CE1-CD1 3.87Å; F51-Y90 HydrophobicContact CE1-CD2 4.07Å; F51-Y90 AromaticContact CE1-CE1 3.81Å; F51-Y90 HydrophobicContact CE1-CE1 3.81Å; F51-Y90 AromaticContact CE1-CE2 3.98Å; F51-Y90 HydrophobicContact CE1-CE2 3.98Å; F51-Y90 HydrophobicContact CE1-CG 4.01Å; F51-Y90 AromaticContact CE1-CZ 3.87Å; F51-Y90 AromaticContact CZ-CD1 3.81Å; F51-Y90 HydrophobicContact CZ-CD1 3.81Å; F51-Y90 HydrophobicContact CZ-CE1 4.1Å; F51-Y90 HydrophobicContact CZ-CG 4.08Å; I86-Y90 HydrophobicContact CG2-CD2 3.77Å; I86-Y90 HydrophobicContact CG2-CE2 3.54Å; I86-Y90 VanDerWaalsContact O-CD2 3.3Å; I86-Y90 WeakPolarHBondContact O-CD2 3.02Å; I86-Y90 PolarHBondContact O-N 3.45Å; G87-Y90 PolarHBondContact O-N 2.9Å; Y90-Y93 PolarHBondContact O-N 3.45Å; Y90-Y94 PolarHBondContact O-N 3.23Å; Y90-Y102 WeakPolarHBondContact CB-O 3.35Å; Y90-Y102 AromaticContact CD1-CD1 3.75Å; Y90-Y102 HydrophobicContact CD1-CD1 3.75Å; Y90-Y102 HydrophobicContact CD1-CG 4.47Å; Y90-Y102 AromaticContact CE1-CD1 3.96Å; Y90-Y102 HydrophobicContact CE1-CD1 3.96Å; Y90-E105 HydrophobicContact CD1-CB 3.64Å; Y90-E105 HydrophobicContact CD1-CG 4.26Å; Y90-E105 HydrophobicContact CD2-CB 3.85Å; Y90-E105 HydrophobicContact CE1-CB 3.78Å; Y90-E105 HydrophobicContact CE1-CG 3.98Å; Y90-E105 HydrophobicContact CE2-CB 3.99Å; Y90-E105 HydrophobicContact CG-CB 3.68Å; Y90-F109 HydrophobicContact CD2-CD2 4.02Å; Y90-F109 HydrophobicContact CD2-CE2 4.1Å; Y90-F109 AromaticContact CE2-CD2 4Å; Y90-F109 HydrophobicContact CE2-CD2 4Å; Y90-F109 AromaticContact CE2-CE2 3.59Å; Y90-F109 HydrophobicContact CE2-CE2 3.59Å |
| 91 | H | 94.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 7% | 0.065 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 175.3 | 178.8 | -112.9 | 0 | 0 | 0 | 112.3 | G87 Q88 L89 Y93 Y94 L95 L147 | G87-H91 PolarHBondContact O-N 3.28Å; Q88-H91 PolarHBondContact O-N 3.34Å; L89-H91 PolarHBondContact O-N 3.47Å; H91-Y93 VanDerWaalsContact C-N 3.27Å; H91-Y93 PolarHBondContact O-N 3.28Å; H91-Y94 WeakPolarHBondContact O-CB 3.45Å; H91-Y94 PolarHBondContact O-N 3.05Å; H91-L95 WeakPolarHBondContact O-CG 3.47Å; H91-L95 PolarHBondContact O-N 2.89Å; H91-L147 WeakPolarHBondContact NE2-CD1 3.46Å |
| 92 | H | 91.3 | Very high | 92.9 | Very high | 56 Ų | 56 | 28.1 Ų | 28.1 | 26% | 0.259 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63 | -34.6 | 178.2 | -74.9 | -171.1 | 0 | 0 | 0 | 112.6 | F47 Q88 L89 | F47-H92 HydrophobicContact CE1-CB 3.79Å; F47-H92 HydrophobicContact CZ-CB 3.77Å; Q88-H92 PolarHBondContact NE2-CE1 3.28Å; Q88-H92 PolarHBondContact NE2-NE2 3.14Å; Q88-H92 WeakPolarHBondContact O-CB 3.28Å; Q88-H92 PolarHBondContact O-CD2 2.67Å; Q88-H92 PolarHBondContact O-N 3.42Å; L89-H92 PolarHBondContact O-N 2.99Å |
| 93 | Y | 90.7 | Very high | 92.8 | Very high | 42 Ų | 42 | 27.7 Ų | 27.7 | 17% | 0.165 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.8 | -44.6 | 175.8 | -158.7 | -90.1 | 0 | 0 | 0 | 110.8 | W43 F47 F51 L89 Y90 H91 L95 R96 T97 Y102 | W43-Y93 HydrophobicContact CH2-CE2 4.21Å; W43-Y93 AromaticContact CZ3-CD2 3.76Å; W43-Y93 HydrophobicContact CZ3-CD2 3.76Å; W43-Y93 AromaticContact CZ3-CE2 3.56Å; W43-Y93 HydrophobicContact CZ3-CE2 3.56Å; F47-Y93 HydrophobicContact CB-CD2 4.18Å; F47-Y93 HydrophobicContact CB-CE2 4.27Å; F47-Y93 AromaticContact CD1-CD2 3.82Å; F47-Y93 HydrophobicContact CD1-CD2 3.82Å; F47-Y93 HydrophobicContact CE1-CD2 4.44Å; F47-Y93 HydrophobicContact CG-CD2 4.1Å; F51-Y93 HydrophobicContact CE2-CD2 4.15Å; F51-Y93 HydrophobicContact CE2-CG 4.42Å; L89-Y93 WeakPolarHBondContact O-CB 3.22Å; L89-Y93 PolarHBondContact O-N 3.3Å; Y90-Y93 PolarHBondContact O-N 3.45Å; H91-Y93 VanDerWaalsContact C-N 3.27Å; H91-Y93 PolarHBondContact O-N 3.28Å; Y93-L95 VanDerWaalsContact C-N 3.33Å; Y93-L95 PolarHBondContact O-N 2.92Å; Y93-R96 PolarHBondContact O-N 3.43Å; Y93-R96 VanDerWaalsContact O-N 3.1Å; Y93-T97 HydrophobicContact CD1-CG2 3.72Å; Y93-T97 HydrophobicContact CE1-CG2 3.38Å; Y93-T97 PolarHBondContact O-N 2.88Å; Y93-T97 PolarHBondContact O-OG1 3.09Å; Y93-Y102 HydrophobicContact CD1-CD1 4.11Å; Y93-Y102 AromaticContact CD1-CD2 3.5Å; Y93-Y102 HydrophobicContact CD1-CD2 3.5Å; Y93-Y102 HydrophobicContact CD1-CE1 4Å; Y93-Y102 AromaticContact CD1-CE2 3.41Å; Y93-Y102 HydrophobicContact CD1-CE2 3.41Å; Y93-Y102 VanDerWaalsContact CD1-CE2 3.41Å; Y93-Y102 AromaticContact CD1-CG 3.84Å; Y93-Y102 HydrophobicContact CD1-CG 3.84Å; Y93-Y102 AromaticContact CD1-CZ 3.64Å; Y93-Y102 AromaticContact CE1-CD2 3.98Å; Y93-Y102 HydrophobicContact CE1-CD2 3.98Å; Y93-Y102 HydrophobicContact CE1-CE1 4.12Å; Y93-Y102 AromaticContact CE1-CE2 3.36Å; Y93-Y102 HydrophobicContact CE1-CE2 3.36Å; Y93-Y102 AromaticContact CE1-CZ 3.42Å; Y93-Y102 VanDerWaalsContact CE1-CZ 3.42Å |
| 94 | Y | 92.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.3 | -44.8 | 172.5 | 159 | -102.1 | 0 | 0 | 0 | 112.5 | Y90 H91 R96 T97 S98 D99 L100 L103 L147 E261 | Y90-Y94 PolarHBondContact O-N 3.23Å; H91-Y94 WeakPolarHBondContact O-CB 3.45Å; H91-Y94 PolarHBondContact O-N 3.05Å; Y94-R96 PolarHBondContact O-N 3.4Å; Y94-T97 PolarHBondContact O-N 2.94Å; Y94-S98 VanDerWaalsContact O-CA 3.27Å; Y94-S98 WeakPolarHBondContact O-CA 3.37Å; Y94-S98 PolarHBondContact O-N 3.37Å; Y94-D99 WeakPolarHBondContact CD2-O 3.29Å; Y94-L100 HydrophobicContact CE2-CD2 3.78Å; Y94-L103 HydrophobicContact CD1-CB 4.25Å; Y94-L103 HydrophobicContact CD1-CD1 3.78Å; Y94-L103 HydrophobicContact CD1-CD2 4.35Å; Y94-L103 HydrophobicContact CD1-CG 4.34Å; Y94-L103 HydrophobicContact CD2-CB 3.83Å; Y94-L103 HydrophobicContact CD2-CD2 4.44Å; Y94-L103 HydrophobicContact CE1-CD1 4.02Å; Y94-L103 HydrophobicContact CE1-CD2 3.95Å; Y94-L103 HydrophobicContact CE1-CG 4.42Å; Y94-L103 HydrophobicContact CE2-CB 4.25Å; Y94-L103 HydrophobicContact CE2-CD2 4.07Å; Y94-L103 HydrophobicContact CG-CB 3.81Å; Y94-L103 HydrophobicContact CG-CD1 4.19Å; Y94-L103 HydrophobicContact CG-CG 4.4Å; Y94-L147 HydrophobicContact CE1-CD1 3.97Å; Y94-E261 WeakPolarHBondContact CE2-OE1 3.44Å; Y94-E261 VanDerWaalsContact CZ-OE1 3.28Å; Y94-E261 PolarHBondContact OH-OE1 3.41Å |
| 95 | L | 89 | Confident | 92.7 | Very high | 49 Ų | 49 | 33.2 Ų | 33.2 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58 | -23.8 | -179.4 | -71.5 | 177.3 | 0 | 0 | 0 | 113.4 | H91 Y93 L304 | H91-L95 WeakPolarHBondContact O-CG 3.47Å; H91-L95 PolarHBondContact O-N 2.89Å; Y93-L95 VanDerWaalsContact C-N 3.33Å; Y93-L95 PolarHBondContact O-N 2.92Å; L95-L304 HydrophobicContact CD2-CD1 3.99Å |
| 96 | R | 82.2 | Confident | 92.8 | Very high | 32 Ų | 32 | 30.8 Ų | 30.8 | 12% | 0.121 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -94.4 | -45 | 178.6 | -60.6 | -178 | -172.6 | -142.5 | 1 | 111.9 | W43 Y93 Y94 H301 K302 | W43-R96 VanDerWaalsContact CD1-NH1 3.3Å; W43-R96 HydrophobicContact CH2-CB 3.57Å; W43-R96 HydrophobicContact CH2-CG 4.29Å; W43-R96 HydrophobicContact CZ2-CB 3.73Å; W43-R96 HydrophobicContact CZ2-CG 4.37Å; W43-R96 HydrophobicContact CZ3-CB 4.18Å; Y93-R96 PolarHBondContact O-N 3.43Å; Y93-R96 VanDerWaalsContact O-N 3.1Å; Y94-R96 PolarHBondContact O-N 3.4Å; R96-H301 PolarHBondContact O-CD2 2.9Å; R96-K302 PolarHBondContact O-N 3.34Å |
| 97 | T | 87.4 | Confident | 92.8 | Very high | 29 Ų | 29 | 31.9 Ų | 31.9 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -88.3 | -17.6 | -174.9 | 61.2 | 0 | 0 | 0 | 0 | 114.2 | W43 Y93 Y94 D99 | W43-T97 HydrophobicContact CH2-CG2 4.02Å; Y93-T97 HydrophobicContact CD1-CG2 3.72Å; Y93-T97 HydrophobicContact CE1-CG2 3.38Å; Y93-T97 PolarHBondContact O-N 2.88Å; Y93-T97 PolarHBondContact O-OG1 3.09Å; Y94-T97 PolarHBondContact O-N 2.94Å; T97-D99 PolarHBondContact O-N 2.92Å; T97-D99 VanDerWaalsContact O-N 3.15Å; T97-D99 PolarHBondContact OG1-N 3.14Å |
| 98 | S | 89.5 | Confident | 92.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | 57.4 | 21.7 | -172.8 | -55.1 | 0 | 0 | 0 | 0 | 114 | Y94 N299 K302 | Y94-S98 VanDerWaalsContact O-CA 3.27Å; Y94-S98 WeakPolarHBondContact O-CA 3.37Å; Y94-S98 PolarHBondContact O-N 3.37Å; S98-N299 PolarHBondContact O-ND2 3.14Å; S98-K302 VanDerWaalsContact CB-CE 3.48Å; S98-K302 WeakPolarHBondContact OG-CD 3.47Å; S98-K302 WeakPolarHBondContact OG-CE 3.24Å; S98-K302 VanDerWaalsContact OG-CG 3.3Å; S98-K302 WeakPolarHBondContact OG-CG 3.38Å; S98-K302 PolarHBondContact OG-NZ 2.84Å | ||
| 99 | D | 89 | Confident | 93 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 31% | 0.31 | 17% | 0.17 | S | C | . | . | trans | -91.8 | 114.9 | -179.5 | 177.5 | -0.1 | 0 | 0 | 0 | 110.5 | Y94 T97 H101 Y102 | Y94-D99 WeakPolarHBondContact CD2-O 3.29Å; T97-D99 PolarHBondContact O-N 2.92Å; T97-D99 VanDerWaalsContact O-N 3.15Å; T97-D99 PolarHBondContact OG1-N 3.14Å; D99-H101 PolarHBondContact O-N 3.41Å; D99-H101 WeakPolarHBondContact OD1-CB 3.37Å; D99-H101 PolarHBondContact OD1-N 3.12Å; D99-Y102 HydrophobicContact CB-CD2 3.79Å; D99-Y102 HydrophobicContact CB-CE2 3.99Å; D99-Y102 PolarHBondContact O-N 3.07Å; D99-Y102 WeakPolarHBondContact OD2-CE2 3.46Å | ||
| 100 | L | 90.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -17.5 | -177.5 | -64.5 | -178.9 | 0 | 0 | 0 | 113.7 | Y94 Y102 L103 N104 P264 | Y94-L100 HydrophobicContact CE2-CD2 3.78Å; L100-Y102 VanDerWaalsContact C-N 3.32Å; L100-Y102 PolarHBondContact O-N 3.05Å; L100-L103 HydrophobicContact CD2-CB 4.48Å; L100-L103 HydrophobicContact CD2-CD2 3.89Å; L100-L103 PolarHBondContact O-N 3.2Å; L100-N104 PolarHBondContact O-N 2.76Å; L100-N104 PolarHBondContact O-ND2 3.2Å; L100-P264 HydrophobicContact CB-CG 3.73Å; L100-P264 HydrophobicContact CD1-CG 3.69Å; L100-P264 HydrophobicContact CG-CG 4.23Å |
| 101 | H | 92 | Very high | 93.3 | Very high | 101 Ų | 101 | 34.3 Ų | 34.3 | 47% | 0.468 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.1 | -49.7 | 172.6 | 177.2 | 63.6 | 0 | 0 | 0 | 110.2 | D99 L103 N104 E105 | D99-H101 PolarHBondContact O-N 3.41Å; D99-H101 WeakPolarHBondContact OD1-CB 3.37Å; D99-H101 PolarHBondContact OD1-N 3.12Å; H101-L103 VanDerWaalsContact C-N 3.31Å; H101-L103 PolarHBondContact O-N 3.08Å; H101-N104 WeakPolarHBondContact O-CB 3.4Å; H101-N104 PolarHBondContact O-N 2.87Å; H101-N104 VanDerWaalsContact O-N 3.11Å; H101-E105 IonicContact CE1-OE1 3.86Å; H101-E105 PolarHBondContact O-N 3.49Å |
| 102 | Y | 94.2 | Very high | 93.4 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -33.6 | 177.5 | -56.5 | -65.4 | 0 | 0 | 0 | 112.7 | Y90 Y93 D99 L100 N104 E105 S106 | Y90-Y102 WeakPolarHBondContact CB-O 3.35Å; Y90-Y102 AromaticContact CD1-CD1 3.75Å; Y90-Y102 HydrophobicContact CD1-CD1 3.75Å; Y90-Y102 HydrophobicContact CD1-CG 4.47Å; Y90-Y102 AromaticContact CE1-CD1 3.96Å; Y90-Y102 HydrophobicContact CE1-CD1 3.96Å; Y93-Y102 HydrophobicContact CD1-CD1 4.11Å; Y93-Y102 AromaticContact CD1-CD2 3.5Å; Y93-Y102 HydrophobicContact CD1-CD2 3.5Å; Y93-Y102 HydrophobicContact CD1-CE1 4Å; Y93-Y102 AromaticContact CD1-CE2 3.41Å; Y93-Y102 HydrophobicContact CD1-CE2 3.41Å; Y93-Y102 VanDerWaalsContact CD1-CE2 3.41Å; Y93-Y102 AromaticContact CD1-CG 3.84Å; Y93-Y102 HydrophobicContact CD1-CG 3.84Å; Y93-Y102 AromaticContact CD1-CZ 3.64Å; Y93-Y102 AromaticContact CE1-CD2 3.98Å; Y93-Y102 HydrophobicContact CE1-CD2 3.98Å; Y93-Y102 HydrophobicContact CE1-CE1 4.12Å; Y93-Y102 AromaticContact CE1-CE2 3.36Å; Y93-Y102 HydrophobicContact CE1-CE2 3.36Å; Y93-Y102 AromaticContact CE1-CZ 3.42Å; Y93-Y102 VanDerWaalsContact CE1-CZ 3.42Å; D99-Y102 HydrophobicContact CB-CD2 3.79Å; D99-Y102 HydrophobicContact CB-CE2 3.99Å; D99-Y102 PolarHBondContact O-N 3.07Å; D99-Y102 WeakPolarHBondContact OD2-CE2 3.46Å; L100-Y102 VanDerWaalsContact C-N 3.32Å; L100-Y102 PolarHBondContact O-N 3.05Å; Y102-N104 VanDerWaalsContact C-N 3.33Å; Y102-E105 PolarHBondContact O-N 2.86Å; Y102-S106 PolarHBondContact O-N 2.79Å |
| 103 | L | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -37.4 | 174.3 | -171.4 | 62.7 | 0 | 0 | 0 | 111.9 | Y94 L100 H101 S106 F107 V144 L147 L148 | Y94-L103 HydrophobicContact CD1-CB 4.25Å; Y94-L103 HydrophobicContact CD1-CD1 3.78Å; Y94-L103 HydrophobicContact CD1-CD2 4.35Å; Y94-L103 HydrophobicContact CD1-CG 4.34Å; Y94-L103 HydrophobicContact CD2-CB 3.83Å; Y94-L103 HydrophobicContact CD2-CD2 4.44Å; Y94-L103 HydrophobicContact CE1-CD1 4.02Å; Y94-L103 HydrophobicContact CE1-CD2 3.95Å; Y94-L103 HydrophobicContact CE1-CG 4.42Å; Y94-L103 HydrophobicContact CE2-CB 4.25Å; Y94-L103 HydrophobicContact CE2-CD2 4.07Å; Y94-L103 HydrophobicContact CG-CB 3.81Å; Y94-L103 HydrophobicContact CG-CD1 4.19Å; Y94-L103 HydrophobicContact CG-CG 4.4Å; L100-L103 HydrophobicContact CD2-CB 4.48Å; L100-L103 HydrophobicContact CD2-CD2 3.89Å; L100-L103 PolarHBondContact O-N 3.2Å; H101-L103 VanDerWaalsContact C-N 3.31Å; H101-L103 PolarHBondContact O-N 3.08Å; L103-S106 WeakPolarHBondContact O-CB 3.43Å; L103-S106 PolarHBondContact O-N 3.45Å; L103-F107 PolarHBondContact O-N 3.41Å; L103-V144 HydrophobicContact CD1-CB 4.28Å; L103-V144 HydrophobicContact CD1-CG1 3.88Å; L103-V144 HydrophobicContact CD1-CG2 3.95Å; L103-V144 HydrophobicContact CG-CG1 4.34Å; L103-L147 HydrophobicContact CD1-CB 4.31Å; L103-L147 HydrophobicContact CD1-CD1 4.19Å; L103-L147 HydrophobicContact CD2-CB 3.62Å; L103-L148 HydrophobicContact CB-CD2 4.27Å; L103-L148 HydrophobicContact CD2-CD2 3.58Å; L103-L148 HydrophobicContact CD2-CG 3.67Å; L103-L148 HydrophobicContact CG-CD1 4.31Å; L103-L148 HydrophobicContact CG-CD2 3.79Å; L103-L148 HydrophobicContact CG-CG 3.77Å |
| 104 | N | 95.4 | Very high | 94 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 35% | 0.348 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.2 | -37.4 | 173.9 | -77.8 | -68.5 | 0 | 0 | 0 | 112.3 | L100 H101 Y102 F107 A108 | L100-N104 PolarHBondContact O-N 2.76Å; L100-N104 PolarHBondContact O-ND2 3.2Å; H101-N104 WeakPolarHBondContact O-CB 3.4Å; H101-N104 PolarHBondContact O-N 2.87Å; H101-N104 VanDerWaalsContact O-N 3.11Å; Y102-N104 VanDerWaalsContact C-N 3.33Å; N104-F107 WeakPolarHBondContact O-CB 3.23Å; N104-F107 PolarHBondContact O-N 2.72Å; N104-A108 PolarHBondContact O-N 3.37Å |
| 105 | E | 96.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 29% | 0.285 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 172.2 | -70.7 | -54.5 | 126.6 | 0 | 0 | 111.3 | Y90 H101 Y102 F107 A108 F109 | Y90-E105 HydrophobicContact CD1-CB 3.64Å; Y90-E105 HydrophobicContact CD1-CG 4.26Å; Y90-E105 HydrophobicContact CD2-CB 3.85Å; Y90-E105 HydrophobicContact CE1-CB 3.78Å; Y90-E105 HydrophobicContact CE1-CG 3.98Å; Y90-E105 HydrophobicContact CE2-CB 3.99Å; Y90-E105 HydrophobicContact CG-CB 3.68Å; H101-E105 IonicContact CE1-OE1 3.86Å; H101-E105 PolarHBondContact O-N 3.49Å; Y102-E105 PolarHBondContact O-N 2.86Å; E105-F107 VanDerWaalsContact C-N 3.28Å; E105-F107 PolarHBondContact O-N 3.27Å; E105-A108 WeakPolarHBondContact O-CB 3.31Å; E105-A108 PolarHBondContact O-N 3.3Å; E105-A108 VanDerWaalsContact O-N 3.09Å; E105-F109 WeakPolarHBondContact O-CD2 3.42Å; E105-F109 PolarHBondContact O-N 3.29Å |
| 106 | S | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.9 | -45.6 | 173.4 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | G87 Y102 L103 A108 F109 F110 | G87-S106 WeakPolarHBondContact O-CB 3.46Å; G87-S106 PolarHBondContact O-OG 3.22Å; Y102-S106 PolarHBondContact O-N 2.79Å; L103-S106 WeakPolarHBondContact O-CB 3.43Å; L103-S106 PolarHBondContact O-N 3.45Å; S106-A108 PolarHBondContact O-N 2.78Å; S106-F109 PolarHBondContact O-N 3.23Å; S106-F110 VanDerWaalsContact O-CD2 3.29Å; S106-F110 WeakPolarHBondContact O-CD2 3.42Å; S106-F110 WeakPolarHBondContact O-CG 3.29Å; S106-F110 PolarHBondContact O-N 3.03Å; S106-F110 VanDerWaalsContact OG-CE2 3.23Å; S106-F110 WeakPolarHBondContact OG-CE2 3.4Å |
| 107 | F | 98.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 13% | 0.132 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 174.4 | 174.4 | -86.8 | 0 | 0 | 0 | 112.2 | L103 N104 E105 F109 F110 S111 F141 V144 L148 K150 L153 | L103-F107 PolarHBondContact O-N 3.41Å; N104-F107 WeakPolarHBondContact O-CB 3.23Å; N104-F107 PolarHBondContact O-N 2.72Å; E105-F107 VanDerWaalsContact C-N 3.28Å; E105-F107 PolarHBondContact O-N 3.27Å; F107-F109 PolarHBondContact O-N 3.06Å; F107-F110 PolarHBondContact O-N 2.81Å; F107-S111 WeakPolarHBondContact O-CB 3.47Å; F107-S111 PolarHBondContact O-N 3.11Å; F107-F141 AromaticContact CD2-CE2 3.72Å; F107-F141 HydrophobicContact CD2-CE2 3.72Å; F107-F141 AromaticContact CE2-CE2 3.68Å; F107-F141 HydrophobicContact CE2-CE2 3.68Å; F107-F141 HydrophobicContact CE2-CZ 4.15Å; F107-F141 HydrophobicContact CZ-CE2 4.48Å; F107-V144 HydrophobicContact CB-CG1 3.71Å; F107-V144 HydrophobicContact CD2-CG1 4.38Å; F107-L148 HydrophobicContact CB-CD1 3.54Å; F107-L148 HydrophobicContact CD2-CD1 3.89Å; F107-L148 HydrophobicContact CG-CD1 3.83Å; F107-K150 VanDerWaalsContact CD1-NZ 3.31Å; F107-K150 HydrophobicContact CD2-CD 3.97Å; F107-K150 HydrophobicContact CE2-CD 3.48Å; F107-K150 VanDerWaalsContact CE2-CD 3.48Å; F107-K150 HydrophobicContact CZ-CD 3.87Å; F107-L153 HydrophobicContact CE2-CD2 3.51Å; F107-L153 HydrophobicContact CZ-CD2 3.73Å |
| 108 | A | 97.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 39% | 0.388 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.1 | -44.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N104 E105 S106 A112 | N104-A108 PolarHBondContact O-N 3.37Å; E105-A108 WeakPolarHBondContact O-CB 3.31Å; E105-A108 PolarHBondContact O-N 3.3Å; E105-A108 VanDerWaalsContact O-N 3.09Å; S106-A108 PolarHBondContact O-N 2.78Å; A108-A112 VanDerWaalsContact O-CB 3.32Å; A108-A112 WeakPolarHBondContact O-CB 3.4Å; A108-A112 PolarHBondContact O-N 3.11Å |
| 109 | F | 98.1 | Very high | 95.8 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.7 | -86.8 | -83.7 | 0 | 0 | 0 | 112.2 | W58 A83 I86 Y90 E105 S106 F107 A112 I113 | W58-F109 HydrophobicContact CD2-CE1 4.49Å; W58-F109 HydrophobicContact CZ2-CE1 4.3Å; A83-F109 HydrophobicContact CB-CD1 3.98Å; I86-F109 HydrophobicContact CB-CD1 4.1Å; I86-F109 HydrophobicContact CB-CE1 3.94Å; I86-F109 HydrophobicContact CB-CG 4.46Å; I86-F109 HydrophobicContact CB-CZ 4.18Å; I86-F109 HydrophobicContact CD1-CE1 4Å; I86-F109 HydrophobicContact CD1-CZ 4.38Å; I86-F109 HydrophobicContact CG2-CD1 4.07Å; I86-F109 HydrophobicContact CG2-CD2 3.9Å; I86-F109 HydrophobicContact CG2-CE1 3.68Å; I86-F109 HydrophobicContact CG2-CE2 3.52Å; I86-F109 HydrophobicContact CG2-CG 4.18Å; I86-F109 HydrophobicContact CG2-CZ 3.39Å; Y90-F109 HydrophobicContact CD2-CD2 4.02Å; Y90-F109 HydrophobicContact CD2-CE2 4.1Å; Y90-F109 AromaticContact CE2-CD2 4Å; Y90-F109 HydrophobicContact CE2-CD2 4Å; Y90-F109 AromaticContact CE2-CE2 3.59Å; Y90-F109 HydrophobicContact CE2-CE2 3.59Å; E105-F109 WeakPolarHBondContact O-CD2 3.42Å; E105-F109 PolarHBondContact O-N 3.29Å; S106-F109 PolarHBondContact O-N 3.23Å; F107-F109 PolarHBondContact O-N 3.06Å; F109-A112 PolarHBondContact O-N 3.31Å; F109-I113 VanDerWaalsContact O-CG1 3.31Å; F109-I113 WeakPolarHBondContact O-CG1 3.45Å; F109-I113 PolarHBondContact O-N 2.82Å; F109-I113 VanDerWaalsContact O-N 3.08Å |
| 110 | F | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -42.9 | 179.2 | -66.5 | -36.3 | 0 | 0 | 0 | 112.4 | S106 F107 A112 I113 R114 Y137 R140 F141 V144 | S106-F110 VanDerWaalsContact O-CD2 3.29Å; S106-F110 WeakPolarHBondContact O-CD2 3.42Å; S106-F110 WeakPolarHBondContact O-CG 3.29Å; S106-F110 PolarHBondContact O-N 3.03Å; S106-F110 VanDerWaalsContact OG-CE2 3.23Å; S106-F110 WeakPolarHBondContact OG-CE2 3.4Å; F107-F110 PolarHBondContact O-N 2.81Å; F110-A112 VanDerWaalsContact C-N 3.31Å; F110-A112 PolarHBondContact O-N 3.17Å; F110-I113 HydrophobicContact CD1-CD1 4.17Å; F110-I113 WeakPolarHBondContact O-CB 3.45Å; F110-I113 PolarHBondContact O-N 2.94Å; F110-I113 VanDerWaalsContact O-N 3.07Å; F110-R114 PolarHBondContact O-N 3.29Å; F110-R114 VanDerWaalsContact O-N 3.14Å; F110-Y137 HydrophobicContact CB-CE2 3.84Å; F110-Y137 AromaticContact CD1-CD2 3.67Å; F110-Y137 HydrophobicContact CD1-CD2 3.67Å; F110-Y137 AromaticContact CD1-CE2 3.71Å; F110-Y137 HydrophobicContact CD1-CE2 3.71Å; F110-Y137 HydrophobicContact CE1-CD2 4.23Å; F110-Y137 HydrophobicContact CG-CD2 4.41Å; F110-Y137 HydrophobicContact CG-CE2 4.09Å; F110-Y137 PolarHBondContact O-OH 3.34Å; F110-R140 HydrophobicContact CE1-CB 4.49Å; F110-R140 HydrophobicContact CE2-CB 3.98Å; F110-R140 HydrophobicContact CZ-CB 3.78Å; F110-F141 HydrophobicContact CB-CB 3.89Å; F110-F141 HydrophobicContact CB-CD1 4.08Å; F110-F141 HydrophobicContact CB-CD2 3.33Å; F110-F141 HydrophobicContact CB-CE1 4.45Å; F110-F141 HydrophobicContact CB-CE2 3.77Å; F110-F141 HydrophobicContact CB-CG 3.52Å; F110-F141 HydrophobicContact CB-CZ 4.32Å; F110-F141 HydrophobicContact CD2-CB 4.19Å; F110-F141 HydrophobicContact CD2-CD2 4.12Å; F110-F141 HydrophobicContact CD2-CG 4.47Å; F110-F141 HydrophobicContact CG-CB 4.1Å; F110-F141 HydrophobicContact CG-CD2 4.14Å; F110-F141 HydrophobicContact CG-CG 4.25Å; F110-V144 HydrophobicContact CD2-CB 4.37Å; F110-V144 HydrophobicContact CD2-CG2 4.05Å; F110-V144 HydrophobicContact CE2-CG2 3.78Å |
| 111 | S | 98.2 | Very high | 95.9 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 173.5 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | F107 I113 R114 T115 | F107-S111 WeakPolarHBondContact O-CB 3.47Å; F107-S111 PolarHBondContact O-N 3.11Å; S111-I113 VanDerWaalsContact C-N 3.27Å; S111-I113 PolarHBondContact O-N 3.13Å; S111-R114 WeakPolarHBondContact O-CB 3.16Å; S111-R114 PolarHBondContact O-N 3.35Å; S111-R114 VanDerWaalsContact O-N 3.17Å; S111-T115 PolarHBondContact O-N 3.1Å; S111-T115 PolarHBondContact O-OG1 3.41Å; S111-T115 VanDerWaalsContact O-OG1 3.06Å |
| 112 | A | 97.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 47 Ų | 47 | 25% | 0.248 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -32.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | A108 F109 F110 R116 | A108-A112 VanDerWaalsContact O-CB 3.32Å; A108-A112 WeakPolarHBondContact O-CB 3.4Å; A108-A112 PolarHBondContact O-N 3.11Å; F109-A112 PolarHBondContact O-N 3.31Å; F110-A112 VanDerWaalsContact C-N 3.31Å; F110-A112 PolarHBondContact O-N 3.17Å; A112-R116 VanDerWaalsContact O-CB 3.29Å; A112-R116 WeakPolarHBondContact O-CB 3.45Å; A112-R116 VanDerWaalsContact O-CG 3.29Å; A112-R116 WeakPolarHBondContact O-CG 3.19Å; A112-R116 PolarHBondContact O-N 2.87Å; A112-R116 VanDerWaalsContact O-N 3.12Å |
| 113 | I | 97.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 175.3 | -66.9 | 164.3 | 0 | 0 | 0 | 111.3 | A83 F109 F110 S111 D117 Y118 Y119 Y137 | A83-I113 HydrophobicContact CB-CD1 3.82Å; A83-I113 HydrophobicContact CB-CG1 3.73Å; F109-I113 VanDerWaalsContact O-CG1 3.31Å; F109-I113 WeakPolarHBondContact O-CG1 3.45Å; F109-I113 PolarHBondContact O-N 2.82Å; F109-I113 VanDerWaalsContact O-N 3.08Å; F110-I113 HydrophobicContact CD1-CD1 4.17Å; F110-I113 WeakPolarHBondContact O-CB 3.45Å; F110-I113 PolarHBondContact O-N 2.94Å; F110-I113 VanDerWaalsContact O-N 3.07Å; S111-I113 VanDerWaalsContact C-N 3.27Å; S111-I113 PolarHBondContact O-N 3.13Å; I113-D117 PolarHBondContact O-N 3.32Å; I113-Y118 HydrophobicContact CB-CD2 4.22Å; I113-Y118 HydrophobicContact CG1-CD2 4.06Å; I113-Y118 HydrophobicContact CG2-CD2 4.29Å; I113-Y119 HydrophobicContact CG2-CD2 3.82Å; I113-Y119 HydrophobicContact CG2-CE2 3.75Å; I113-Y137 HydrophobicContact CB-CD2 4.47Å; I113-Y137 HydrophobicContact CB-CE2 3.78Å; I113-Y137 HydrophobicContact CD1-CD2 3.93Å; I113-Y137 HydrophobicContact CD1-CE2 3.89Å; I113-Y137 HydrophobicContact CG1-CE2 4.47Å; I113-Y137 HydrophobicContact CG2-CD1 4.29Å; I113-Y137 HydrophobicContact CG2-CD2 4.13Å; I113-Y137 HydrophobicContact CG2-CE1 3.92Å; I113-Y137 HydrophobicContact CG2-CE2 3.74Å; I113-Y137 HydrophobicContact CG2-CG 4.39Å |
| 114 | R | 96.9 | Very high | 95.3 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -56.6 | 174.7 | -173.5 | 172.5 | 174.5 | -130.5 | -11.1 | 110.4 | F110 S111 R116 D117 Y137 F141 E156 E160 | F110-R114 PolarHBondContact O-N 3.29Å; F110-R114 VanDerWaalsContact O-N 3.14Å; S111-R114 WeakPolarHBondContact O-CB 3.16Å; S111-R114 PolarHBondContact O-N 3.35Å; S111-R114 VanDerWaalsContact O-N 3.17Å; R114-R116 PolarHBondContact O-N 3.06Å; R114-R116 VanDerWaalsContact O-N 3.16Å; R114-D117 PolarHBondContact O-N 3.4Å; R114-D117 VanDerWaalsContact O-N 3.11Å; R114-Y137 WeakPolarHBondContact CB-OH 3.29Å; R114-Y137 PolarHBondContact N-OH 2.83Å; R114-F141 HydrophobicContact CB-CE1 4.24Å; R114-E156 IonicContact CZ-OE1 3.65Å; R114-E156 IonicContact CZ-OE2 3.05Å; R114-E156 IonicContact NH1-OE1 2.75Å; R114-E156 IonicContact NH1-OE2 3.54Å; R114-E156 PolarHBondContact NH1-OE2 3.19Å; R114-E156 IonicContact NH2-OE1 3.05Å; R114-E156 PolarHBondContact NH2-OE1 2.92Å; R114-E156 IonicContact NH2-OE2 2.76Å; R114-E160 IonicContact CZ-OE1 3.26Å; R114-E160 VanDerWaalsContact CZ-OE1 3.26Å; R114-E160 IonicContact NE-OE1 3.97Å; R114-E160 PolarHBondContact NE-OE1 2.88Å; R114-E160 IonicContact NE-OE2 3.93Å; R114-E160 PolarHBondContact NE-OE2 3.29Å; R114-E160 IonicContact NH2-OE1 3.93Å; R114-E160 PolarHBondContact NH2-OE1 2.7Å |
| 115 | T | 96.6 | Very high | 94.9 | Very high | 108 Ų | 108 | 54.8 Ų | 54.8 | 66% | 0.663 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.1 | -26.8 | -173.9 | -50.9 | 0 | 0 | 0 | 0 | 113.7 | S111 | S111-T115 PolarHBondContact O-N 3.1Å; S111-T115 PolarHBondContact O-OG1 3.41Å; S111-T115 VanDerWaalsContact O-OG1 3.06Å |
| 116 | R | 96.1 | Very high | 94.4 | Very high | 119 Ų | 119 | 60.7 Ų | 60.7 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 2.1 | -179.4 | -64.1 | 178.6 | 178.3 | 172.5 | 1 | 113.8 | R76 A112 R114 Y118 | R76-R116 PolarHBondContact NH2-O 2.94Å; A112-R116 VanDerWaalsContact O-CB 3.29Å; A112-R116 WeakPolarHBondContact O-CB 3.45Å; A112-R116 VanDerWaalsContact O-CG 3.29Å; A112-R116 WeakPolarHBondContact O-CG 3.19Å; A112-R116 PolarHBondContact O-N 2.87Å; A112-R116 VanDerWaalsContact O-N 3.12Å; R114-R116 PolarHBondContact O-N 3.06Å; R114-R116 VanDerWaalsContact O-N 3.16Å; R116-Y118 VanDerWaalsContact C-N 3.25Å; R116-Y118 HydrophobicContact CB-CD2 4.2Å; R116-Y118 HydrophobicContact CB-CE1 4.35Å; R116-Y118 HydrophobicContact CB-CE2 3.87Å; R116-Y118 WeakPolarHBondContact CD-OH 3.3Å; R116-Y118 HydrophobicContact CG-CE2 4.48Å; R116-Y118 PolarHBondContact NH1-OH 3.18Å; R116-Y118 VanDerWaalsContact NH1-OH 3.1Å; R116-Y118 PolarHBondContact O-N 2.93Å; R116-Y118 VanDerWaalsContact O-N 3.17Å |
| 117 | D | 94.7 | Very high | 93.9 | Very high | 104 Ų | 104 | 67.5 Ų | 67.5 | 56% | 0.556 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 42.3 | 176.3 | -70.8 | -50.5 | 0 | 0 | 0 | 113.7 | I113 R114 Y119 S120 | I113-D117 PolarHBondContact O-N 3.32Å; R114-D117 PolarHBondContact O-N 3.4Å; R114-D117 VanDerWaalsContact O-N 3.11Å; D117-Y119 PolarHBondContact O-N 2.77Å; D117-Y119 VanDerWaalsContact O-N 3.11Å; D117-S120 WeakPolarHBondContact O-CB 3.42Å; D117-S120 PolarHBondContact O-N 3.48Å; D117-S120 PolarHBondContact O-OG 2.85Å |
| 118 | Y | 95.9 | Very high | 93.7 | Very high | 17 Ų | 17 | 68.2 Ų | 68.2 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.5 | -177 | -73.8 | -56.4 | 0 | 0 | 0 | 112.8 | R76 W77 I79 I113 R116 | R76-Y118 HydrophobicContact CB-CD1 4.31Å; R76-Y118 WeakPolarHBondContact O-CD1 3.13Å; W77-Y118 WeakPolarHBondContact CA-O 3.16Å; W77-Y118 WeakPolarHBondContact CB-O 3.46Å; W77-Y118 PolarHBondContact N-O 2.82Å; I79-Y118 HydrophobicContact CB-CD1 4.16Å; I79-Y118 HydrophobicContact CB-CE1 3.83Å; I79-Y118 HydrophobicContact CD1-CE1 4.31Å; I79-Y118 HydrophobicContact CG2-CD1 4.48Å; I79-Y118 HydrophobicContact CG2-CE1 3.72Å; I113-Y118 HydrophobicContact CB-CD2 4.22Å; I113-Y118 HydrophobicContact CG1-CD2 4.06Å; I113-Y118 HydrophobicContact CG2-CD2 4.29Å; R116-Y118 VanDerWaalsContact C-N 3.25Å; R116-Y118 HydrophobicContact CB-CD2 4.2Å; R116-Y118 HydrophobicContact CB-CE1 4.35Å; R116-Y118 HydrophobicContact CB-CE2 3.87Å; R116-Y118 WeakPolarHBondContact CD-OH 3.3Å; R116-Y118 HydrophobicContact CG-CE2 4.48Å; R116-Y118 PolarHBondContact NH1-OH 3.18Å; R116-Y118 VanDerWaalsContact NH1-OH 3.1Å; R116-Y118 PolarHBondContact O-N 2.93Å; R116-Y118 VanDerWaalsContact O-N 3.17Å |
| 119 | Y | 95 | Very high | 93.4 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 19.3 | 178.5 | -65.1 | -80.1 | 0 | 0 | 0 | 113.8 | W77 I113 D117 K121 A122 L130 K133 K134 Y137 | W77-Y119 HydrophobicContact CB-CD1 4.18Å; W77-Y119 HydrophobicContact CB-CE1 4.34Å; I113-Y119 HydrophobicContact CG2-CD2 3.82Å; I113-Y119 HydrophobicContact CG2-CE2 3.75Å; D117-Y119 PolarHBondContact O-N 2.77Å; D117-Y119 VanDerWaalsContact O-N 3.11Å; Y119-K121 PolarHBondContact O-N 2.9Å; Y119-A122 VanDerWaalsContact O-CB 3.28Å; Y119-A122 WeakPolarHBondContact O-CB 3.37Å; Y119-A122 PolarHBondContact O-N 3.41Å; Y119-A122 VanDerWaalsContact O-N 3.13Å; Y119-L130 HydrophobicContact CD1-CD1 3.85Å; Y119-L130 HydrophobicContact CD1-CG 4.37Å; Y119-L130 HydrophobicContact CE1-CD1 3.72Å; Y119-K133 HydrophobicContact CE1-CB 4.34Å; Y119-K134 HydrophobicContact CD1-CB 4.02Å; Y119-K134 HydrophobicContact CD1-CG 4.4Å; Y119-K134 HydrophobicContact CD2-CG 4.37Å; Y119-K134 HydrophobicContact CG-CB 4.06Å; Y119-K134 HydrophobicContact CG-CD 4.43Å; Y119-K134 HydrophobicContact CG-CG 3.94Å; Y119-K134 PolarHBondContact O-NZ 3.33Å; Y119-Y137 HydrophobicContact CD2-CD1 4.43Å; Y119-Y137 HydrophobicContact CE2-CD1 4.4Å; Y119-Y137 HydrophobicContact CE2-CG 4.41Å |
| 120 | S | 92.2 | Very high | 93.2 | Very high | 61 Ų | 61 | 69.5 Ų | 69.5 | 43% | 0.427 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.8 | 179.7 | 41.8 | 0 | 0 | 0 | 0 | 114.5 | D117 | D117-S120 WeakPolarHBondContact O-CB 3.42Å; D117-S120 PolarHBondContact O-N 3.48Å; D117-S120 PolarHBondContact O-OG 2.85Å |
| 121 | K | 89.8 | Confident | 93 | Very high | 140 Ų | 140 | 69.4 Ų | 69.4 | 61% | 0.609 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 10.9 | -179.8 | -60.6 | -175.1 | -179.9 | -177.6 | 0 | 113.6 | Y119 N123 K124 | Y119-K121 PolarHBondContact O-N 2.9Å; K121-N123 VanDerWaalsContact C-N 3.31Å; K121-N123 PolarHBondContact O-N 3.26Å; K121-K124 PolarHBondContact O-N 2.97Å; K121-K124 VanDerWaalsContact O-N 3.11Å |
| 122 | A | 90.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -61.7 | -38.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y119 K124 E125 L130 M131 K134 | Y119-A122 VanDerWaalsContact O-CB 3.28Å; Y119-A122 WeakPolarHBondContact O-CB 3.37Å; Y119-A122 PolarHBondContact O-N 3.41Å; Y119-A122 VanDerWaalsContact O-N 3.13Å; A122-K124 PolarHBondContact O-N 3.26Å; A122-E125 PolarHBondContact O-N 3.42Å; A122-L130 HydrophobicContact CB-CD2 4.09Å; A122-L130 HydrophobicContact CB-CG 3.87Å; A122-M131 HydrophobicContact CB-CG 4.32Å; A122-M131 HydrophobicContact CB-SD 3.58Å; A122-M131 VanDerWaalsContact CB-SD 3.58Å; A122-K134 HydrophobicContact CB-CD 4.07Å |
| 123 | N | 88.3 | Confident | 92.6 | Very high | 54 Ų | 54 | 71.3 Ų | 71.3 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -74.3 | -1.5 | 178.5 | 63.8 | -13.6 | 0 | 0 | 0 | 114.4 | K121 M131 I171 | K121-N123 VanDerWaalsContact C-N 3.31Å; K121-N123 PolarHBondContact O-N 3.26Å; N123-M131 HydrophobicContact CB-SD 4.13Å; N123-I171 HydrophobicContact CB-CD1 3.73Å |
| 124 | K | 89.4 | Confident | 92.5 | Very high | 167 Ų | 167 | 72.2 Ų | 72.2 | 73% | 0.726 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -100.8 | -7 | 179 | -59.7 | -171 | 177.6 | -172.2 | 0 | 113.3 | K121 A122 | K121-K124 PolarHBondContact O-N 2.97Å; K121-K124 VanDerWaalsContact O-N 3.11Å; A122-K124 PolarHBondContact O-N 3.26Å |
| 125 | E | 88.4 | Confident | 92.5 | Very high | 68 Ų | 68 | 69.3 Ų | 69.3 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -82.2 | 142.1 | 177.1 | -62 | -76.3 | 169.3 | 0 | 0 | 109 | K75 A122 K127 L130 Y172 | K75-E125 IonicContact NZ-OE1 3.71Å; K75-E125 PolarHBondContact NZ-OE1 2.74Å; K75-E125 IonicContact NZ-OE2 2.9Å; K75-E125 PolarHBondContact NZ-OE2 3.34Å; A122-E125 PolarHBondContact O-N 3.42Å; E125-K127 PolarHBondContact O-N 2.8Å; E125-L130 HydrophobicContact CG-CD2 3.76Å; E125-Y172 PolarHBondContact O-OH 3.12Å |
| 126 | E | 84.3 | Confident | 92.4 | Very high | 186 Ų | 186 | 70.8 Ų | 70.8 | 87% | 0.869 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -62.4 | -27.5 | -179.6 | -72.5 | -179.7 | 160.9 | 0 | 0 | 113.1 | Y172 | E126-Y172 WeakPolarHBondContact O-CE1 3.31Š|
| 127 | K | 88.4 | Confident | 92.4 | Very high | 142 Ų | 142 | 65.3 Ų | 65.3 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -100.9 | 139.8 | -176.7 | -64.8 | -171.8 | 179.3 | -176.3 | 0 | 112 | E125 D129 | E125-K127 PolarHBondContact O-N 2.8Å; K127-D129 PolarHBondContact O-N 3.21Å; K127-D129 VanDerWaalsContact O-N 3.17Å |
| 128 | P | 92.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 61.4 Ų | 61.4 | 29% | 0.292 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.5 | -179.4 | 23.5 | -32.2 | 0 | 0 | 0 | 114.2 | L130 M131 I132 Y168 Y172 | P128-L130 PolarHBondContact O-N 2.91Å; P128-M131 WeakPolarHBondContact O-CB 3.16Å; P128-M131 PolarHBondContact O-N 2.79Å; P128-I132 HydrophobicContact CB-CD1 4.34Å; P128-I132 PolarHBondContact O-N 2.86Å; P128-Y168 HydrophobicContact CB-CE2 3.71Å; P128-Y172 HydrophobicContact CB-CD1 3.87Å; P128-Y172 HydrophobicContact CB-CD2 4.22Å; P128-Y172 HydrophobicContact CB-CE1 4.28Å; P128-Y172 HydrophobicContact CB-CG 3.83Å; P128-Y172 HydrophobicContact CG-CD1 4.32Å |
| 129 | D | 92.5 | Very high | 92.6 | Very high | 96 Ų | 96 | 61.5 Ų | 61.5 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -49.5 | -41.1 | -173.3 | -66.1 | -64.5 | 0 | 0 | 0 | 113.4 | K127 I132 K133 | K127-D129 PolarHBondContact O-N 3.21Å; K127-D129 VanDerWaalsContact O-N 3.17Å; D129-I132 PolarHBondContact O-N 3.24Å; D129-K133 WeakPolarHBondContact O-CG 3.44Å; D129-K133 PolarHBondContact O-N 2.97Å |
| 130 | L | 93 | Very high | 92.7 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.4 | -36 | -177.9 | -172.5 | 56.8 | 0 | 0 | 0 | 112.3 | W77 Y119 A122 E125 P128 K133 K134 | W77-L130 HydrophobicContact CB-CD1 3.95Å; W77-L130 HydrophobicContact CB-CD2 4.12Å; W77-L130 HydrophobicContact CD2-CD1 3.61Å; W77-L130 HydrophobicContact CD2-CD2 3.97Å; W77-L130 HydrophobicContact CD2-CG 4.48Å; W77-L130 HydrophobicContact CE3-CD1 3.6Å; W77-L130 HydrophobicContact CG-CD1 3.78Å; W77-L130 HydrophobicContact CG-CD2 3.64Å; W77-L130 HydrophobicContact CG-CG 4.4Å; W77-L130 HydrophobicContact CZ3-CD1 4.34Å; Y119-L130 HydrophobicContact CD1-CD1 3.85Å; Y119-L130 HydrophobicContact CD1-CG 4.37Å; Y119-L130 HydrophobicContact CE1-CD1 3.72Å; A122-L130 HydrophobicContact CB-CD2 4.09Å; A122-L130 HydrophobicContact CB-CG 3.87Å; E125-L130 HydrophobicContact CG-CD2 3.76Å; P128-L130 PolarHBondContact O-N 2.91Å; L130-K133 HydrophobicContact CD1-CD 4.43Å; L130-K133 PolarHBondContact O-N 3.01Å; L130-K134 PolarHBondContact O-N 3.44Å |
| 131 | M | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 172.4 | -77.5 | -63 | -72.1 | 0 | 0 | 110.8 | A122 N123 P128 K133 K134 L135 E167 Y168 Y172 | A122-M131 HydrophobicContact CB-CG 4.32Å; A122-M131 HydrophobicContact CB-SD 3.58Å; A122-M131 VanDerWaalsContact CB-SD 3.58Å; N123-M131 HydrophobicContact CB-SD 4.13Å; P128-M131 WeakPolarHBondContact O-CB 3.16Å; P128-M131 PolarHBondContact O-N 2.79Å; M131-K133 VanDerWaalsContact C-N 3.29Å; M131-K133 PolarHBondContact O-N 3.39Å; M131-K134 CarbonylContact O-C 3.57Å; M131-K134 WeakPolarHBondContact O-CA 3.38Å; M131-K134 VanDerWaalsContact O-CB 3.31Å; M131-K134 WeakPolarHBondContact O-CB 3.35Å; M131-K134 PolarHBondContact O-N 2.91Å; M131-K134 HydrophobicContact SD-CD 4.12Å; M131-L135 WeakPolarHBondContact O-CG 3.29Å; M131-L135 PolarHBondContact O-N 3.21Å; M131-E167 HydrophobicContact CE-CB 4.47Å; M131-Y168 HydrophobicContact CB-CD2 3.76Å; M131-Y168 HydrophobicContact CB-CE2 4.48Å; M131-Y172 HydrophobicContact CB-CE2 4.27Å; M131-Y172 HydrophobicContact CG-CE2 3.78Å |
| 132 | I | 94 | Very high | 93.4 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 174.6 | -64.9 | 169.1 | 0 | 0 | 0 | 110.9 | P128 D129 K134 L135 R136 Y168 | P128-I132 HydrophobicContact CB-CD1 4.34Å; P128-I132 PolarHBondContact O-N 2.86Å; D129-I132 PolarHBondContact O-N 3.24Å; I132-K134 VanDerWaalsContact C-N 3.35Å; I132-K134 PolarHBondContact O-N 3.03Å; I132-L135 PolarHBondContact O-N 3.32Å; I132-R136 HydrophobicContact CG2-CG 4.41Å; I132-R136 WeakPolarHBondContact O-CB 3.11Å; I132-R136 VanDerWaalsContact O-CG 3.28Å; I132-R136 WeakPolarHBondContact O-CG 3.27Å; I132-R136 PolarHBondContact O-N 3.46Å; I132-Y168 HydrophobicContact CD1-CE2 4.43Å; I132-Y168 HydrophobicContact CG1-CE2 3.87Å |
| 133 | K | 94.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 55 Ų | 55 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 173.8 | -73.9 | 178.4 | -176.4 | -171.2 | 0 | 112 | E81 Y119 D129 L130 M131 R136 Y137 | E81-K133 WeakPolarHBondContact OE1-CE 3.28Å; E81-K133 IonicContact OE1-NZ 2.86Å; E81-K133 PolarHBondContact OE1-NZ 3.1Å; E81-K133 IonicContact OE2-NZ 3.49Å; E81-K133 PolarHBondContact OE2-NZ 3.35Å; Y119-K133 HydrophobicContact CE1-CB 4.34Å; D129-K133 WeakPolarHBondContact O-CG 3.44Å; D129-K133 PolarHBondContact O-N 2.97Å; L130-K133 HydrophobicContact CD1-CD 4.43Å; L130-K133 PolarHBondContact O-N 3.01Å; M131-K133 VanDerWaalsContact C-N 3.29Å; M131-K133 PolarHBondContact O-N 3.39Å; K133-R136 PolarHBondContact O-N 2.93Å; K133-Y137 PolarHBondContact O-N 2.73Å |
| 134 | K | 95.6 | Very high | 94.2 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 10% | 0.096 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.2 | -171.6 | -175.8 | -170.4 | 175.7 | 0 | 111.5 | Y119 A122 L130 M131 I132 Y137 Y138 | Y119-K134 HydrophobicContact CD1-CB 4.02Å; Y119-K134 HydrophobicContact CD1-CG 4.4Å; Y119-K134 HydrophobicContact CD2-CG 4.37Å; Y119-K134 HydrophobicContact CG-CB 4.06Å; Y119-K134 HydrophobicContact CG-CD 4.43Å; Y119-K134 HydrophobicContact CG-CG 3.94Å; Y119-K134 PolarHBondContact O-NZ 3.33Å; A122-K134 HydrophobicContact CB-CD 4.07Å; L130-K134 PolarHBondContact O-N 3.44Å; M131-K134 CarbonylContact O-C 3.57Å; M131-K134 WeakPolarHBondContact O-CA 3.38Å; M131-K134 VanDerWaalsContact O-CB 3.31Å; M131-K134 WeakPolarHBondContact O-CB 3.35Å; M131-K134 PolarHBondContact O-N 2.91Å; M131-K134 HydrophobicContact SD-CD 4.12Å; I132-K134 VanDerWaalsContact C-N 3.35Å; I132-K134 PolarHBondContact O-N 3.03Å; K134-Y137 WeakPolarHBondContact O-CB 3.21Å; K134-Y137 WeakPolarHBondContact O-CD1 3.32Å; K134-Y137 PolarHBondContact O-N 3.34Å; K134-Y137 VanDerWaalsContact O-N 3.15Å; K134-Y138 HydrophobicContact CG-CD2 4.23Å; K134-Y138 HydrophobicContact CG-CE2 4.25Å; K134-Y138 PolarHBondContact O-N 3.24Å |
| 135 | L | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 178 | -66.3 | -178.8 | 0 | 0 | 0 | 111.7 | M131 I132 Y137 Y138 A139 F161 Q164 V165 Y168 W180 | M131-L135 WeakPolarHBondContact O-CG 3.29Å; M131-L135 PolarHBondContact O-N 3.21Å; I132-L135 PolarHBondContact O-N 3.32Å; L135-Y137 VanDerWaalsContact C-N 3.25Å; L135-Y137 PolarHBondContact O-N 3.26Å; L135-Y138 PolarHBondContact O-N 2.85Å; L135-A139 PolarHBondContact O-N 3.32Å; L135-F161 HydrophobicContact CB-CE2 4Å; L135-F161 HydrophobicContact CD2-CD2 4.08Å; L135-F161 HydrophobicContact CD2-CE2 3.83Å; L135-F161 HydrophobicContact CG-CE2 4.49Å; L135-F161 WeakPolarHBondContact O-CE2 3.19Å; L135-Q164 HydrophobicContact CD2-CB 3.74Å; L135-V165 HydrophobicContact CD1-CG2 4.24Å; L135-V165 HydrophobicContact CD2-CG2 3.75Å; L135-Y168 HydrophobicContact CD1-CD1 3.93Å; L135-Y168 HydrophobicContact CD1-CE1 4.49Å; L135-Y168 HydrophobicContact CD1-CG 3.95Å; L135-W180 HydrophobicContact CB-CE3 4.38Å; L135-W180 HydrophobicContact CB-CH2 3.52Å; L135-W180 HydrophobicContact CB-CZ2 4.01Å; L135-W180 HydrophobicContact CB-CZ3 3.74Å; L135-W180 HydrophobicContact CD1-CD2 3.94Å; L135-W180 HydrophobicContact CD1-CE3 4.22Å; L135-W180 HydrophobicContact CD1-CG 4.5Å; L135-W180 HydrophobicContact CD1-CH2 4.17Å; L135-W180 HydrophobicContact CD1-CZ2 3.89Å; L135-W180 HydrophobicContact CD1-CZ3 4.34Å |
| 136 | R | 95.4 | Very high | 94.7 | Very high | 139 Ų | 139 | 41.3 Ų | 41.3 | 53% | 0.525 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.5 | -31.2 | 175.9 | -68.5 | 178.9 | -174.6 | -124.1 | 6.8 | 112.6 | I132 K133 R140 W180 | I132-R136 HydrophobicContact CG2-CG 4.41Å; I132-R136 WeakPolarHBondContact O-CB 3.11Å; I132-R136 VanDerWaalsContact O-CG 3.28Å; I132-R136 WeakPolarHBondContact O-CG 3.27Å; I132-R136 PolarHBondContact O-N 3.46Å; K133-R136 PolarHBondContact O-N 2.93Å; R136-R140 VanDerWaalsContact C-NH1 3.33Å; R136-R140 WeakPolarHBondContact O-CG 3.39Å; R136-R140 PolarHBondContact O-N 3.42Å; R136-R140 PolarHBondContact O-NH1 3.11Å; R136-W180 HydrophobicContact CG-CH2 4.18Å |
| 137 | Y | 96.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.5 | -49.8 | 172.3 | 147.3 | -101.8 | 0 | 0 | 0 | 110.9 | F110 I113 R114 Y119 K133 K134 L135 A139 R140 F141 | F110-Y137 HydrophobicContact CB-CE2 3.84Å; F110-Y137 AromaticContact CD1-CD2 3.67Å; F110-Y137 HydrophobicContact CD1-CD2 3.67Å; F110-Y137 AromaticContact CD1-CE2 3.71Å; F110-Y137 HydrophobicContact CD1-CE2 3.71Å; F110-Y137 HydrophobicContact CE1-CD2 4.23Å; F110-Y137 HydrophobicContact CG-CD2 4.41Å; F110-Y137 HydrophobicContact CG-CE2 4.09Å; F110-Y137 PolarHBondContact O-OH 3.34Å; I113-Y137 HydrophobicContact CB-CD2 4.47Å; I113-Y137 HydrophobicContact CB-CE2 3.78Å; I113-Y137 HydrophobicContact CD1-CD2 3.93Å; I113-Y137 HydrophobicContact CD1-CE2 3.89Å; I113-Y137 HydrophobicContact CG1-CE2 4.47Å; I113-Y137 HydrophobicContact CG2-CD1 4.29Å; I113-Y137 HydrophobicContact CG2-CD2 4.13Å; I113-Y137 HydrophobicContact CG2-CE1 3.92Å; I113-Y137 HydrophobicContact CG2-CE2 3.74Å; I113-Y137 HydrophobicContact CG2-CG 4.39Å; R114-Y137 WeakPolarHBondContact CB-OH 3.29Å; R114-Y137 PolarHBondContact N-OH 2.83Å; Y119-Y137 HydrophobicContact CD2-CD1 4.43Å; Y119-Y137 HydrophobicContact CE2-CD1 4.4Å; Y119-Y137 HydrophobicContact CE2-CG 4.41Å; K133-Y137 PolarHBondContact O-N 2.73Å; K134-Y137 WeakPolarHBondContact O-CB 3.21Å; K134-Y137 WeakPolarHBondContact O-CD1 3.32Å; K134-Y137 PolarHBondContact O-N 3.34Å; K134-Y137 VanDerWaalsContact O-N 3.15Å; L135-Y137 VanDerWaalsContact C-N 3.25Å; L135-Y137 PolarHBondContact O-N 3.26Å; Y137-A139 VanDerWaalsContact C-N 3.35Å; Y137-A139 PolarHBondContact O-N 2.87Å; Y137-R140 PolarHBondContact O-N 3.4Å; Y137-F141 HydrophobicContact CE2-CB 4.23Å; Y137-F141 HydrophobicContact CE2-CD1 4.33Å; Y137-F141 PolarHBondContact O-N 3.07Å; Y137-F141 WeakPolarHBondContact OH-CD1 3.24Å |
| 138 | Y | 97.4 | Very high | 95.3 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.7 | -47.3 | 177.7 | -95.4 | -80 | 0 | 0 | 0 | 112 | K134 L135 R140 F141 I142 L157 E160 F161 Q164 | K134-Y138 HydrophobicContact CG-CD2 4.23Å; K134-Y138 HydrophobicContact CG-CE2 4.25Å; K134-Y138 PolarHBondContact O-N 3.24Å; L135-Y138 PolarHBondContact O-N 2.85Å; Y138-R140 VanDerWaalsContact C-N 3.29Å; Y138-R140 PolarHBondContact O-N 3.48Å; Y138-F141 PolarHBondContact O-N 3.44Å; Y138-I142 VanDerWaalsContact O-CG1 3.31Å; Y138-I142 WeakPolarHBondContact O-CG1 3.46Å; Y138-I142 PolarHBondContact O-N 3.4Å; Y138-L157 HydrophobicContact CD1-CD2 4.22Å; Y138-L157 HydrophobicContact CE1-CD2 3.86Å; Y138-E160 HydrophobicContact CE1-CB 3.76Å; Y138-E160 VanDerWaalsContact CE1-OE2 3.29Å; Y138-E160 WeakPolarHBondContact CE1-OE2 3.49Å; Y138-E160 PolarHBondContact OH-OE2 2.98Å; Y138-F161 VanDerWaalsContact CB-CD2 3.43Å; Y138-F161 HydrophobicContact CD1-CB 4.25Å; Y138-F161 HydrophobicContact CG-CB 4.42Å; Y138-F161 HydrophobicContact CG-CD2 4.14Å; Y138-Q164 HydrophobicContact CE2-CG 4.09Å |
| 139 | A | 97.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 25.1 Ų | 25.1 | 17% | 0.165 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.7 | -42.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L135 Y137 L143 M187 | L135-A139 PolarHBondContact O-N 3.32Å; Y137-A139 VanDerWaalsContact C-N 3.35Å; Y137-A139 PolarHBondContact O-N 2.87Å; A139-L143 PolarHBondContact O-N 3.03Å; A139-L143 VanDerWaalsContact O-N 3.1Å; A139-M187 HydrophobicContact CB-CE 3.85Å |
| 140 | R | 97.2 | Very high | 95.1 | Very high | 59 Ų | 59 | 24 Ų | 24 | 22% | 0.223 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.5 | -38.7 | 175.6 | -68.7 | -179 | -169 | 96.2 | 0.3 | 112.4 | F110 R136 Y137 Y138 L143 V144 | F110-R140 HydrophobicContact CE1-CB 4.49Å; F110-R140 HydrophobicContact CE2-CB 3.98Å; F110-R140 HydrophobicContact CZ-CB 3.78Å; R136-R140 VanDerWaalsContact C-NH1 3.33Å; R136-R140 WeakPolarHBondContact O-CG 3.39Å; R136-R140 PolarHBondContact O-N 3.42Å; R136-R140 PolarHBondContact O-NH1 3.11Å; Y137-R140 PolarHBondContact O-N 3.4Å; Y138-R140 VanDerWaalsContact C-N 3.29Å; Y138-R140 PolarHBondContact O-N 3.48Å; R140-L143 PolarHBondContact O-N 3.17Å; R140-V144 WeakPolarHBondContact O-CG2 3.47Å; R140-V144 PolarHBondContact O-N 3.45Å |
| 141 | F | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 179.5 | -171.1 | -164.1 | 0 | 0 | 0 | 111.7 | F107 F110 R114 Y137 Y138 V144 C145 L153 L157 | F107-F141 AromaticContact CD2-CE2 3.72Å; F107-F141 HydrophobicContact CD2-CE2 3.72Å; F107-F141 AromaticContact CE2-CE2 3.68Å; F107-F141 HydrophobicContact CE2-CE2 3.68Å; F107-F141 HydrophobicContact CE2-CZ 4.15Å; F107-F141 HydrophobicContact CZ-CE2 4.48Å; F110-F141 HydrophobicContact CB-CB 3.89Å; F110-F141 HydrophobicContact CB-CD1 4.08Å; F110-F141 HydrophobicContact CB-CD2 3.33Å; F110-F141 HydrophobicContact CB-CE1 4.45Å; F110-F141 HydrophobicContact CB-CE2 3.77Å; F110-F141 HydrophobicContact CB-CG 3.52Å; F110-F141 HydrophobicContact CB-CZ 4.32Å; F110-F141 HydrophobicContact CD2-CB 4.19Å; F110-F141 HydrophobicContact CD2-CD2 4.12Å; F110-F141 HydrophobicContact CD2-CG 4.47Å; F110-F141 HydrophobicContact CG-CB 4.1Å; F110-F141 HydrophobicContact CG-CD2 4.14Å; F110-F141 HydrophobicContact CG-CG 4.25Å; R114-F141 HydrophobicContact CB-CE1 4.24Å; Y137-F141 HydrophobicContact CE2-CB 4.23Å; Y137-F141 HydrophobicContact CE2-CD1 4.33Å; Y137-F141 PolarHBondContact O-N 3.07Å; Y137-F141 WeakPolarHBondContact OH-CD1 3.24Å; Y138-F141 PolarHBondContact O-N 3.44Å; F141-V144 PolarHBondContact O-N 3.17Å; F141-C145 VanDerWaalsContact CE2-SG 3.59Å; F141-C145 PolarHBondContact O-N 3.07Å; F141-C145 PolarHBondContact O-SG 3.12Å; F141-L153 HydrophobicContact CZ-CD2 4.34Å; F141-L157 HydrophobicContact CB-CD1 4.45Å; F141-L157 HydrophobicContact CD1-CD1 3.5Å; F141-L157 HydrophobicContact CD1-CD2 3.69Å; F141-L157 HydrophobicContact CD1-CG 4.27Å; F141-L157 HydrophobicContact CD2-CD1 4.16Å; F141-L157 HydrophobicContact CE1-CD1 3.68Å; F141-L157 HydrophobicContact CE1-CD2 3.74Å; F141-L157 HydrophobicContact CE1-CG 4.35Å; F141-L157 HydrophobicContact CE2-CD1 4.31Å; F141-L157 HydrophobicContact CG-CD1 3.75Å; F141-L157 HydrophobicContact CZ-CD1 4.08Å |
| 142 | I | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 173.7 | -68.2 | 163.3 | 0 | 0 | 0 | 109.8 | Y138 V144 C145 L146 L157 I158 F161 M187 F246 | Y138-I142 VanDerWaalsContact O-CG1 3.31Å; Y138-I142 WeakPolarHBondContact O-CG1 3.46Å; Y138-I142 PolarHBondContact O-N 3.4Å; I142-V144 PolarHBondContact O-N 3.07Å; I142-C145 WeakPolarHBondContact O-CB 3.23Å; I142-C145 PolarHBondContact O-N 3.01Å; I142-C145 VanDerWaalsContact O-N 3.1Å; I142-L146 HydrophobicContact CG2-CD1 4.09Å; I142-L146 HydrophobicContact CG2-CG 4.41Å; I142-L146 WeakPolarHBondContact O-CG 3.37Å; I142-L146 PolarHBondContact O-N 3.47Å; I142-L157 HydrophobicContact CD1-CB 4.19Å; I142-L157 HydrophobicContact CG1-CB 3.56Å; I142-L157 HydrophobicContact CG1-CD1 4.33Å; I142-I158 HydrophobicContact CD1-CG1 3.99Å; I142-I158 HydrophobicContact CG1-CG1 4.37Å; I142-I158 HydrophobicContact CG2-CD1 4.27Å; I142-I158 HydrophobicContact CG2-CG1 3.95Å; I142-F161 HydrophobicContact CD1-CB 3.88Å; I142-F161 HydrophobicContact CD1-CD1 4.47Å; I142-F161 HydrophobicContact CD1-CG 4.16Å; I142-M187 HydrophobicContact CD1-CE 3.81Å; I142-M187 HydrophobicContact CD1-SD 3.65Å; I142-M187 HydrophobicContact CG2-SD 4.34Å; I142-F246 HydrophobicContact CG2-CE1 4.24Å |
| 143 | L | 97 | Very high | 94.9 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56 | -47.2 | 176.9 | -179.6 | 61.7 | 0 | 0 | 0 | 112.3 | A139 R140 C145 L146 L147 F246 | A139-L143 PolarHBondContact O-N 3.03Å; A139-L143 VanDerWaalsContact O-N 3.1Å; R140-L143 PolarHBondContact O-N 3.17Å; L143-C145 VanDerWaalsContact C-N 3.31Å; L143-C145 PolarHBondContact O-N 3.18Å; L143-L146 WeakPolarHBondContact O-CB 3.39Å; L143-L146 PolarHBondContact O-N 2.83Å; L143-L147 HydrophobicContact CD1-CD1 4.21Å; L143-L147 HydrophobicContact CD1-CG 4.33Å; L143-L147 HydrophobicContact CG-CD1 3.98Å; L143-L147 VanDerWaalsContact O-CG 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.2Å; L143-L147 PolarHBondContact O-N 3.16Å; L143-F246 HydrophobicContact CB-CE1 3.96Å; L143-F246 HydrophobicContact CD1-CD1 4.27Å; L143-F246 HydrophobicContact CD1-CE1 4.2Å |
| 144 | V | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 177 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | L103 F107 F110 R140 F141 I142 L147 L148 | L103-V144 HydrophobicContact CD1-CB 4.28Å; L103-V144 HydrophobicContact CD1-CG1 3.88Å; L103-V144 HydrophobicContact CD1-CG2 3.95Å; L103-V144 HydrophobicContact CG-CG1 4.34Å; F107-V144 HydrophobicContact CB-CG1 3.71Å; F107-V144 HydrophobicContact CD2-CG1 4.38Å; F110-V144 HydrophobicContact CD2-CB 4.37Å; F110-V144 HydrophobicContact CD2-CG2 4.05Å; F110-V144 HydrophobicContact CE2-CG2 3.78Å; R140-V144 WeakPolarHBondContact O-CG2 3.47Å; R140-V144 PolarHBondContact O-N 3.45Å; F141-V144 PolarHBondContact O-N 3.17Å; I142-V144 PolarHBondContact O-N 3.07Å; V144-L147 PolarHBondContact O-N 3.1Å; V144-L148 HydrophobicContact CG1-CD1 3.96Å; V144-L148 WeakPolarHBondContact O-CB 3.33Å; V144-L148 WeakPolarHBondContact O-CG 3.41Å; V144-L148 PolarHBondContact O-N 2.78Å |
| 145 | C | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | F141 I142 L143 L148 G149 K150 A154 | F141-C145 VanDerWaalsContact CE2-SG 3.59Å; F141-C145 PolarHBondContact O-N 3.07Å; F141-C145 PolarHBondContact O-SG 3.12Å; I142-C145 WeakPolarHBondContact O-CB 3.23Å; I142-C145 PolarHBondContact O-N 3.01Å; I142-C145 VanDerWaalsContact O-N 3.1Å; L143-C145 VanDerWaalsContact C-N 3.31Å; L143-C145 PolarHBondContact O-N 3.18Å; C145-L148 PolarHBondContact O-N 3.37Å; C145-G149 PolarHBondContact O-N 2.76Å; C145-G149 VanDerWaalsContact O-N 3.09Å; C145-K150 HydrophobicContact CB-CB 4.28Å; C145-K150 PolarHBondContact O-N 3.3Å; C145-A154 HydrophobicContact CB-CB 3.97Å |
| 146 | L | 94.2 | Very high | 95 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.8 | -67.3 | 171.1 | 0 | 0 | 0 | 111.4 | I142 L143 L148 G149 M151 A154 F190 V191 F246 Y254 | I142-L146 HydrophobicContact CG2-CD1 4.09Å; I142-L146 HydrophobicContact CG2-CG 4.41Å; I142-L146 WeakPolarHBondContact O-CG 3.37Å; I142-L146 PolarHBondContact O-N 3.47Å; L143-L146 WeakPolarHBondContact O-CB 3.39Å; L143-L146 PolarHBondContact O-N 2.83Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 3.17Å; L146-G149 PolarHBondContact O-N 2.73Å; L146-M151 HydrophobicContact CD2-CE 3.98Å; L146-M151 HydrophobicContact CD2-SD 4.02Å; L146-A154 HydrophobicContact CD2-CB 3.9Å; L146-A154 HydrophobicContact CG-CB 4.29Å; L146-F190 HydrophobicContact CD1-CD1 3.96Å; L146-F190 HydrophobicContact CD1-CE1 4.2Å; L146-V191 HydrophobicContact CD2-CG2 3.76Å; L146-F246 HydrophobicContact CD1-CD1 3.72Å; L146-F246 HydrophobicContact CD1-CE1 3.98Å; L146-Y254 HydrophobicContact CB-CE2 4.46Å; L146-Y254 WeakPolarHBondContact O-CE2 3.25Å; L146-Y254 PolarHBondContact O-OH 3.09Å |
| 147 | L | 93.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.9 | -34.7 | 178.5 | -68.2 | 167.4 | 0 | 0 | 0 | 112.6 | H91 Y94 L103 L143 V144 G149 R212 L249 Y254 L257 | H91-L147 WeakPolarHBondContact NE2-CD1 3.46Å; Y94-L147 HydrophobicContact CE1-CD1 3.97Å; L103-L147 HydrophobicContact CD1-CB 4.31Å; L103-L147 HydrophobicContact CD1-CD1 4.19Å; L103-L147 HydrophobicContact CD2-CB 3.62Å; L143-L147 HydrophobicContact CD1-CD1 4.21Å; L143-L147 HydrophobicContact CD1-CG 4.33Å; L143-L147 HydrophobicContact CG-CD1 3.98Å; L143-L147 VanDerWaalsContact O-CG 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.2Å; L143-L147 PolarHBondContact O-N 3.16Å; V144-L147 PolarHBondContact O-N 3.1Å; L147-G149 VanDerWaalsContact C-N 3.28Å; L147-G149 PolarHBondContact O-N 3.45Å; L147-R212 PolarHBondContact O-NH2 3.26Å; L147-L249 HydrophobicContact CD2-CD2 4.27Å; L147-Y254 HydrophobicContact CD2-CD2 4.14Å; L147-Y254 HydrophobicContact CD2-CE2 4.24Å; L147-L257 HydrophobicContact CD2-CD2 3.49Å; L147-L257 VanDerWaalsContact CD2-CD2 3.49Å |
| 148 | L | 92 | Very high | 95.2 | Very high | 21 Ų | 21 | 25.9 Ų | 25.9 | 11% | 0.11 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5.2 | 173.6 | -71.9 | 172.6 | 0 | 0 | 0 | 113.8 | L103 F107 V144 C145 L146 K150 | L103-L148 HydrophobicContact CB-CD2 4.27Å; L103-L148 HydrophobicContact CD2-CD2 3.58Å; L103-L148 HydrophobicContact CD2-CG 3.67Å; L103-L148 HydrophobicContact CG-CD1 4.31Å; L103-L148 HydrophobicContact CG-CD2 3.79Å; L103-L148 HydrophobicContact CG-CG 3.77Å; F107-L148 HydrophobicContact CB-CD1 3.54Å; F107-L148 HydrophobicContact CD2-CD1 3.89Å; F107-L148 HydrophobicContact CG-CD1 3.83Å; V144-L148 HydrophobicContact CG1-CD1 3.96Å; V144-L148 WeakPolarHBondContact O-CB 3.33Å; V144-L148 WeakPolarHBondContact O-CG 3.41Å; V144-L148 PolarHBondContact O-N 2.78Å; C145-L148 PolarHBondContact O-N 3.37Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 3.17Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 HydrophobicContact CB-CD 4.4Å; L148-K150 HydrophobicContact CB-CG 4.09Å; L148-K150 PolarHBondContact O-N 2.94Å |
| 149 | G | 89.1 | Confident | 95.2 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 17.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | C145 L146 L147 M151 Y208 | C145-G149 PolarHBondContact O-N 2.76Å; C145-G149 VanDerWaalsContact O-N 3.09Å; L146-G149 PolarHBondContact O-N 2.73Å; L147-G149 VanDerWaalsContact C-N 3.28Å; L147-G149 PolarHBondContact O-N 3.45Å; G149-M151 PolarHBondContact O-N 2.92Å; G149-Y208 VanDerWaalsContact CA-CE2 3.45Å |
| 150 | K | 91.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 34.7 Ų | 34.7 | 31% | 0.309 | 16% | 0.156 | S | C | . | . | trans | -81.2 | 61.2 | 178.6 | -64.4 | -173.9 | -179 | -176 | 0 | 111 | F107 C145 L148 K152 L153 A154 | F107-K150 VanDerWaalsContact CD1-NZ 3.31Å; F107-K150 HydrophobicContact CD2-CD 3.97Å; F107-K150 HydrophobicContact CE2-CD 3.48Å; F107-K150 VanDerWaalsContact CE2-CD 3.48Å; F107-K150 HydrophobicContact CZ-CD 3.87Å; C145-K150 HydrophobicContact CB-CB 4.28Å; C145-K150 PolarHBondContact O-N 3.3Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 HydrophobicContact CB-CD 4.4Å; L148-K150 HydrophobicContact CB-CG 4.09Å; L148-K150 PolarHBondContact O-N 2.94Å; K150-K152 PolarHBondContact O-N 3.46Å; K150-L153 HydrophobicContact CB-CB 4.38Å; K150-L153 PolarHBondContact O-N 2.88Å; K150-A154 PolarHBondContact O-N 3.26Å | ||
| 151 | M | 90.1 | Very high | 95.2 | Very high | 38 Ų | 38 | 31.9 Ų | 31.9 | 19% | 0.187 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.6 | -38.4 | -169.2 | -61.8 | -54.2 | -65.3 | 0 | 0 | 114.1 | L146 G149 L153 A154 N155 V191 | L146-M151 HydrophobicContact CD2-CE 3.98Å; L146-M151 HydrophobicContact CD2-SD 4.02Å; G149-M151 PolarHBondContact O-N 2.92Å; M151-L153 PolarHBondContact O-N 3.44Å; M151-A154 PolarHBondContact O-N 2.88Å; M151-N155 PolarHBondContact O-N 3.47Å; M151-N155 PolarHBondContact O-ND2 2.63Å; M151-N155 VanDerWaalsContact O-ND2 3.11Å; M151-V191 HydrophobicContact CE-CB 4.3Å; M151-V191 HydrophobicContact CE-CG1 3.78Å; M151-V191 HydrophobicContact CE-CG2 4.11Å |
| 152 | K | 90.5 | Very high | 95.2 | Very high | 110 Ų | 110 | 32.7 Ų | 32.7 | 48% | 0.478 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.2 | -47 | 176.8 | -69.2 | 175 | -177.5 | 154.2 | 0 | 112 | K150 N155 E156 P205 | K150-K152 PolarHBondContact O-N 3.46Å; K152-N155 PolarHBondContact O-N 3.27Å; K152-E156 PolarHBondContact O-N 3.22Å; K152-P205 PolarHBondContact NZ-O 3.07Å |
| 153 | L | 95.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.5 | -38.2 | 178.5 | 177.8 | 57.9 | 0 | 0 | 0 | 111 | F107 F141 K150 M151 N155 E156 L157 | F107-L153 HydrophobicContact CE2-CD2 3.51Å; F107-L153 HydrophobicContact CZ-CD2 3.73Å; F141-L153 HydrophobicContact CZ-CD2 4.34Å; K150-L153 HydrophobicContact CB-CB 4.38Å; K150-L153 PolarHBondContact O-N 2.88Å; M151-L153 PolarHBondContact O-N 3.44Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-N155 PolarHBondContact O-N 3.01Å; L153-E156 WeakPolarHBondContact CD1-OE2 3.19Å; L153-E156 PolarHBondContact O-N 2.71Å; L153-L157 HydrophobicContact CD1-CD1 4.13Å; L153-L157 HydrophobicContact CD1-CD2 4.48Å; L153-L157 HydrophobicContact CD1-CG 3.99Å; L153-L157 HydrophobicContact CG-CD1 3.97Å; L153-L157 HydrophobicContact CG-CG 4.31Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 VanDerWaalsContact O-CG 3.22Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.86Å |
| 154 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C145 L146 K150 M151 E156 L157 I158 | C145-A154 HydrophobicContact CB-CB 3.97Å; L146-A154 HydrophobicContact CD2-CB 3.9Å; L146-A154 HydrophobicContact CG-CB 4.29Å; K150-A154 PolarHBondContact O-N 3.26Å; M151-A154 PolarHBondContact O-N 2.88Å; A154-E156 PolarHBondContact O-N 3.37Å; A154-L157 PolarHBondContact O-N 3.35Å; A154-I158 VanDerWaalsContact O-CG1 3.24Å; A154-I158 WeakPolarHBondContact O-CG1 3.34Å; A154-I158 PolarHBondContact O-N 3.1Å |
| 155 | N | 95.6 | Very high | 95 | Very high | 64 Ų | 64 | 39 Ų | 39 | 34% | 0.342 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.9 | -83.1 | -52 | 0 | 0 | 0 | 113.2 | M151 K152 L153 I158 R159 V191 | M151-N155 PolarHBondContact O-N 3.47Å; M151-N155 PolarHBondContact O-ND2 2.63Å; M151-N155 VanDerWaalsContact O-ND2 3.11Å; K152-N155 PolarHBondContact O-N 3.27Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-N155 PolarHBondContact O-N 3.01Å; N155-I158 PolarHBondContact O-N 3.38Å; N155-R159 PolarHBondContact O-N 3.16Å; N155-V191 WeakPolarHBondContact OD1-CG1 3.35Å |
| 156 | E | 97.5 | Very high | 94.9 | Very high | 73 Ų | 73 | 43 Ų | 43 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 173.7 | -171.3 | -173.5 | -172.1 | 0 | 0 | 111.4 | R114 K152 L153 A154 I158 R159 E160 | R114-E156 IonicContact CZ-OE1 3.65Å; R114-E156 IonicContact CZ-OE2 3.05Å; R114-E156 IonicContact NH1-OE1 2.75Å; R114-E156 IonicContact NH1-OE2 3.54Å; R114-E156 PolarHBondContact NH1-OE2 3.19Å; R114-E156 IonicContact NH2-OE1 3.05Å; R114-E156 PolarHBondContact NH2-OE1 2.92Å; R114-E156 IonicContact NH2-OE2 2.76Å; K152-E156 PolarHBondContact O-N 3.22Å; L153-E156 WeakPolarHBondContact CD1-OE2 3.19Å; L153-E156 PolarHBondContact O-N 2.71Å; A154-E156 PolarHBondContact O-N 3.37Å; E156-I158 PolarHBondContact O-N 2.9Å; E156-R159 PolarHBondContact O-N 3.12Å; E156-E160 PolarHBondContact O-N 3.29Å |
| 157 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -33.7 | 179.4 | -68.7 | 171.2 | 0 | 0 | 0 | 112.9 | Y138 F141 I142 L153 A154 R159 E160 F161 | Y138-L157 HydrophobicContact CD1-CD2 4.22Å; Y138-L157 HydrophobicContact CE1-CD2 3.86Å; F141-L157 HydrophobicContact CB-CD1 4.45Å; F141-L157 HydrophobicContact CD1-CD1 3.5Å; F141-L157 HydrophobicContact CD1-CD2 3.69Å; F141-L157 HydrophobicContact CD1-CG 4.27Å; F141-L157 HydrophobicContact CD2-CD1 4.16Å; F141-L157 HydrophobicContact CE1-CD1 3.68Å; F141-L157 HydrophobicContact CE1-CD2 3.74Å; F141-L157 HydrophobicContact CE1-CG 4.35Å; F141-L157 HydrophobicContact CE2-CD1 4.31Å; F141-L157 HydrophobicContact CG-CD1 3.75Å; F141-L157 HydrophobicContact CZ-CD1 4.08Å; I142-L157 HydrophobicContact CD1-CB 4.19Å; I142-L157 HydrophobicContact CG1-CB 3.56Å; I142-L157 HydrophobicContact CG1-CD1 4.33Å; L153-L157 HydrophobicContact CD1-CD1 4.13Å; L153-L157 HydrophobicContact CD1-CD2 4.48Å; L153-L157 HydrophobicContact CD1-CG 3.99Å; L153-L157 HydrophobicContact CG-CD1 3.97Å; L153-L157 HydrophobicContact CG-CG 4.31Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 VanDerWaalsContact O-CG 3.22Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.86Å; A154-L157 PolarHBondContact O-N 3.35Å; L157-R159 VanDerWaalsContact C-N 3.34Å; L157-E160 PolarHBondContact O-N 3.11Å; L157-F161 WeakPolarHBondContact O-CB 3.34Å; L157-F161 PolarHBondContact O-N 3.03Å |
| 158 | I | 98 | Very high | 94.9 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 175 | -71.6 | 164.8 | 0 | 0 | 0 | 110.8 | I142 A154 N155 E156 F161 S162 M187 K188 V191 | I142-I158 HydrophobicContact CD1-CG1 3.99Å; I142-I158 HydrophobicContact CG1-CG1 4.37Å; I142-I158 HydrophobicContact CG2-CD1 4.27Å; I142-I158 HydrophobicContact CG2-CG1 3.95Å; A154-I158 VanDerWaalsContact O-CG1 3.24Å; A154-I158 WeakPolarHBondContact O-CG1 3.34Å; A154-I158 PolarHBondContact O-N 3.1Å; N155-I158 PolarHBondContact O-N 3.38Å; E156-I158 PolarHBondContact O-N 2.9Å; I158-F161 PolarHBondContact O-N 3.35Å; I158-S162 PolarHBondContact O-N 3Å; I158-S162 PolarHBondContact O-OG 3.26Å; I158-M187 HydrophobicContact CD1-CB 4.05Å; I158-M187 HydrophobicContact CG1-CB 4.11Å; I158-M187 HydrophobicContact CG1-SD 4.25Å; I158-K188 HydrophobicContact CG2-CG 4.03Å; I158-V191 HydrophobicContact CD1-CG2 3.62Å |
| 159 | R | 98 | Very high | 95 | Very high | 177 Ų | 177 | 46.3 Ų | 46.3 | 67% | 0.668 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.4 | -45 | 174.9 | -69.3 | -176.3 | -66 | -148.8 | 1.8 | 111.5 | N155 E156 L157 S162 K163 | N155-R159 PolarHBondContact O-N 3.16Å; E156-R159 PolarHBondContact O-N 3.12Å; L157-R159 VanDerWaalsContact C-N 3.34Å; R159-S162 PolarHBondContact O-N 2.94Å; R159-K163 PolarHBondContact O-N 2.9Å |
| 160 | E | 97.3 | Very high | 95.1 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174 | -71.7 | -177.6 | -168.6 | 0 | 0 | 111.8 | R114 Y138 E156 L157 S162 K163 Q164 | R114-E160 IonicContact CZ-OE1 3.26Å; R114-E160 VanDerWaalsContact CZ-OE1 3.26Å; R114-E160 IonicContact NE-OE1 3.97Å; R114-E160 PolarHBondContact NE-OE1 2.88Å; R114-E160 IonicContact NE-OE2 3.93Å; R114-E160 PolarHBondContact NE-OE2 3.29Å; R114-E160 IonicContact NH2-OE1 3.93Å; R114-E160 PolarHBondContact NH2-OE1 2.7Å; Y138-E160 HydrophobicContact CE1-CB 3.76Å; Y138-E160 VanDerWaalsContact CE1-OE2 3.29Å; Y138-E160 WeakPolarHBondContact CE1-OE2 3.49Å; Y138-E160 PolarHBondContact OH-OE2 2.98Å; E156-E160 PolarHBondContact O-N 3.29Å; L157-E160 PolarHBondContact O-N 3.11Å; E160-S162 VanDerWaalsContact C-N 3.31Å; E160-S162 PolarHBondContact O-N 3.37Å; E160-K163 WeakPolarHBondContact O-CB 3.44Å; E160-K163 PolarHBondContact O-N 2.89Å; E160-Q164 VanDerWaalsContact O-CG 3.3Å; E160-Q164 WeakPolarHBondContact O-CG 3.21Å; E160-Q164 PolarHBondContact O-N 3.14Å |
| 161 | F | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 179.3 | 178 | -110.7 | 0 | 0 | 0 | 111.8 | L135 Y138 I142 L157 I158 K163 Q164 V165 W180 V183 I184 M187 | L135-F161 HydrophobicContact CB-CE2 4Å; L135-F161 HydrophobicContact CD2-CD2 4.08Å; L135-F161 HydrophobicContact CD2-CE2 3.83Å; L135-F161 HydrophobicContact CG-CE2 4.49Å; L135-F161 WeakPolarHBondContact O-CE2 3.19Å; Y138-F161 VanDerWaalsContact CB-CD2 3.43Å; Y138-F161 HydrophobicContact CD1-CB 4.25Å; Y138-F161 HydrophobicContact CG-CB 4.42Å; Y138-F161 HydrophobicContact CG-CD2 4.14Å; I142-F161 HydrophobicContact CD1-CB 3.88Å; I142-F161 HydrophobicContact CD1-CD1 4.47Å; I142-F161 HydrophobicContact CD1-CG 4.16Å; L157-F161 WeakPolarHBondContact O-CB 3.34Å; L157-F161 PolarHBondContact O-N 3.03Å; I158-F161 PolarHBondContact O-N 3.35Å; F161-K163 PolarHBondContact O-N 3.17Å; F161-Q164 PolarHBondContact O-N 3.31Å; F161-Q164 VanDerWaalsContact O-N 3.12Å; F161-V165 HydrophobicContact CD1-CG2 4.43Å; F161-V165 HydrophobicContact CD2-CG2 4.45Å; F161-V165 HydrophobicContact CE1-CG2 4.05Å; F161-V165 HydrophobicContact CE2-CG2 4.1Å; F161-V165 HydrophobicContact CZ-CG2 3.89Å; F161-V165 WeakPolarHBondContact O-CG2 3.48Å; F161-V165 PolarHBondContact O-N 3.3Å; F161-W180 HydrophobicContact CE2-CE3 4.33Å; F161-W180 HydrophobicContact CE2-CZ3 4.1Å; F161-W180 AromaticContact CZ-CE3 3.69Å; F161-W180 HydrophobicContact CZ-CE3 3.69Å; F161-W180 AromaticContact CZ-CZ3 3.74Å; F161-W180 HydrophobicContact CZ-CZ3 3.74Å; F161-V183 HydrophobicContact CE1-CG1 4.03Å; F161-V183 HydrophobicContact CZ-CG1 4.16Å; F161-I184 HydrophobicContact CD1-CG1 3.78Å; F161-I184 HydrophobicContact CE1-CG1 3.64Å; F161-M187 HydrophobicContact CD1-CE 3.94Å; F161-M187 HydrophobicContact CD1-SD 3.64Å; F161-M187 HydrophobicContact CE1-CE 3.67Å; F161-M187 HydrophobicContact CE1-SD 3.79Å; F161-M187 HydrophobicContact CZ-CE 4.08Å |
| 162 | S | 97.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 53 Ų | 53 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.3 | -49.8 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | I158 R159 E160 Q164 V165 D166 I184 | I158-S162 PolarHBondContact O-N 3Å; I158-S162 PolarHBondContact O-OG 3.26Å; R159-S162 PolarHBondContact O-N 2.94Å; E160-S162 VanDerWaalsContact C-N 3.31Å; E160-S162 PolarHBondContact O-N 3.37Å; S162-Q164 VanDerWaalsContact C-N 3.27Å; S162-Q164 PolarHBondContact O-N 2.93Å; S162-V165 PolarHBondContact O-N 3.07Å; S162-V165 VanDerWaalsContact O-N 3.11Å; S162-D166 VanDerWaalsContact O-CG 3.27Å; S162-D166 PolarHBondContact O-N 3.36Å; S162-I184 WeakPolarHBondContact OG-CG2 3.22Å |
| 163 | K | 96.6 | Very high | 95 | Very high | 129 Ų | 129 | 54.6 Ų | 54.6 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.8 | -38.6 | 175.9 | -177.1 | -178.8 | 177.7 | -173.5 | 0 | 112.6 | R159 E160 F161 V165 D166 E167 | R159-K163 PolarHBondContact O-N 2.9Å; E160-K163 WeakPolarHBondContact O-CB 3.44Å; E160-K163 PolarHBondContact O-N 2.89Å; F161-K163 PolarHBondContact O-N 3.17Å; K163-V165 VanDerWaalsContact C-N 3.34Å; K163-D166 PolarHBondContact O-N 2.91Å; K163-E167 WeakPolarHBondContact CE-OE1 3.21Å; K163-E167 WeakPolarHBondContact O-CG 3.44Å; K163-E167 PolarHBondContact O-N 3.33Å |
| 164 | Q | 95.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70 | -31.3 | 178.7 | -68.5 | -58.5 | -67.4 | 0 | 0 | 113.1 | L135 Y138 E160 F161 S162 E167 Y168 | L135-Q164 HydrophobicContact CD2-CB 3.74Å; Y138-Q164 HydrophobicContact CE2-CG 4.09Å; E160-Q164 VanDerWaalsContact O-CG 3.3Å; E160-Q164 WeakPolarHBondContact O-CG 3.21Å; E160-Q164 PolarHBondContact O-N 3.14Å; F161-Q164 PolarHBondContact O-N 3.31Å; F161-Q164 VanDerWaalsContact O-N 3.12Å; S162-Q164 VanDerWaalsContact C-N 3.27Å; S162-Q164 PolarHBondContact O-N 2.93Å; Q164-E167 PolarHBondContact NE2-OE2 3.05Å; Q164-Y168 WeakPolarHBondContact O-CB 3.36Å; Q164-Y168 PolarHBondContact O-N 3.38Å; Q164-Y168 VanDerWaalsContact O-N 3.12Å |
| 165 | V | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.3 | -45 | 172.7 | 168.1 | 0 | 0 | 0 | 0 | 110.1 | L135 F161 S162 K163 E167 Y168 I169 W180 I184 | L135-V165 HydrophobicContact CD1-CG2 4.24Å; L135-V165 HydrophobicContact CD2-CG2 3.75Å; F161-V165 HydrophobicContact CD1-CG2 4.43Å; F161-V165 HydrophobicContact CD2-CG2 4.45Å; F161-V165 HydrophobicContact CE1-CG2 4.05Å; F161-V165 HydrophobicContact CE2-CG2 4.1Å; F161-V165 HydrophobicContact CZ-CG2 3.89Å; F161-V165 WeakPolarHBondContact O-CG2 3.48Å; F161-V165 PolarHBondContact O-N 3.3Å; S162-V165 PolarHBondContact O-N 3.07Å; S162-V165 VanDerWaalsContact O-N 3.11Å; K163-V165 VanDerWaalsContact C-N 3.34Å; V165-E167 VanDerWaalsContact C-N 3.35Å; V165-E167 PolarHBondContact O-N 3.08Å; V165-Y168 WeakPolarHBondContact O-CB 3.47Å; V165-Y168 PolarHBondContact O-N 3.38Å; V165-I169 HydrophobicContact CG1-CD1 3.64Å; V165-I169 HydrophobicContact CG1-CG1 4.29Å; V165-I169 VanDerWaalsContact O-CG1 3.31Å; V165-I169 WeakPolarHBondContact O-CG1 3.22Å; V165-I169 PolarHBondContact O-N 3.48Å; V165-W180 HydrophobicContact CG1-CB 3.59Å; V165-W180 HydrophobicContact CG1-CG 4.46Å; V165-W180 HydrophobicContact CG2-CB 4.1Å; V165-W180 HydrophobicContact CG2-CE3 4.38Å; V165-I184 HydrophobicContact CB-CD1 3.79Å; V165-I184 HydrophobicContact CG1-CD1 3.83Å; V165-I184 HydrophobicContact CG2-CD1 3.92Å; V165-I184 HydrophobicContact CG2-CG1 4.44Å |
| 166 | D | 94.5 | Very high | 93.4 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.4 | -49 | 176.5 | -59.2 | -26.2 | 0 | 0 | 0 | 110.5 | S162 K163 Y168 I169 D170 | S162-D166 VanDerWaalsContact O-CG 3.27Å; S162-D166 PolarHBondContact O-N 3.36Å; K163-D166 PolarHBondContact O-N 2.91Å; D166-Y168 VanDerWaalsContact C-N 3.27Å; D166-Y168 PolarHBondContact O-N 2.81Å; D166-I169 PolarHBondContact O-N 3.1Å; D166-D170 WeakPolarHBondContact O-CB 3.34Å; D166-D170 VanDerWaalsContact O-CG 3.27Å; D166-D170 PolarHBondContact O-N 3.27Å |
| 167 | E | 93.7 | Very high | 92.9 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.3 | -36.4 | 174.9 | -76 | 174.2 | -169.2 | 0 | 0 | 112.9 | M131 K163 Q164 V165 I171 | M131-E167 HydrophobicContact CE-CB 4.47Å; K163-E167 WeakPolarHBondContact CE-OE1 3.21Å; K163-E167 WeakPolarHBondContact O-CG 3.44Å; K163-E167 PolarHBondContact O-N 3.33Å; Q164-E167 PolarHBondContact NE2-OE2 3.05Å; V165-E167 VanDerWaalsContact C-N 3.35Å; V165-E167 PolarHBondContact O-N 3.08Å; E167-I171 WeakPolarHBondContact O-CB 3.47Å; E167-I171 WeakPolarHBondContact O-CD1 3.48Å; E167-I171 WeakPolarHBondContact O-CG1 3.29Å; E167-I171 PolarHBondContact O-N 2.86Å |
| 168 | Y | 94.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.7 | -42.9 | 178 | 164.9 | -105.8 | 0 | 0 | 0 | 112 | P128 M131 I132 L135 Q164 V165 D166 Y172 A174 D176 W180 | P128-Y168 HydrophobicContact CB-CE2 3.71Å; M131-Y168 HydrophobicContact CB-CD2 3.76Å; M131-Y168 HydrophobicContact CB-CE2 4.48Å; I132-Y168 HydrophobicContact CD1-CE2 4.43Å; I132-Y168 HydrophobicContact CG1-CE2 3.87Å; L135-Y168 HydrophobicContact CD1-CD1 3.93Å; L135-Y168 HydrophobicContact CD1-CE1 4.49Å; L135-Y168 HydrophobicContact CD1-CG 3.95Å; Q164-Y168 WeakPolarHBondContact O-CB 3.36Å; Q164-Y168 PolarHBondContact O-N 3.38Å; Q164-Y168 VanDerWaalsContact O-N 3.12Å; V165-Y168 WeakPolarHBondContact O-CB 3.47Å; V165-Y168 PolarHBondContact O-N 3.38Å; D166-Y168 VanDerWaalsContact C-N 3.27Å; D166-Y168 PolarHBondContact O-N 2.81Å; Y168-Y172 AromaticContact CD2-CD2 3.74Å; Y168-Y172 HydrophobicContact CD2-CD2 3.74Å; Y168-Y172 HydrophobicContact CD2-CE2 4.36Å; Y168-Y172 HydrophobicContact CE2-CD2 4.21Å; Y168-Y172 WeakPolarHBondContact O-CD2 3.48Å; Y168-Y172 PolarHBondContact O-N 2.86Å; Y168-A174 HydrophobicContact CD1-CB 4.24Å; Y168-A174 HydrophobicContact CE1-CB 3.4Å; Y168-A174 VanDerWaalsContact CE1-CB 3.4Å; Y168-A174 HydrophobicContact CE2-CB 4.25Å; Y168-A174 VanDerWaalsContact CZ-CB 3.41Å; Y168-A174 WeakPolarHBondContact OH-CB 3.49Å; Y168-D176 VanDerWaalsContact CE1-OD1 3.27Å; Y168-D176 WeakPolarHBondContact CE1-OD1 3.39Å; Y168-D176 PolarHBondContact OH-OD1 3.29Å; Y168-D176 PolarHBondContact OH-OD2 2.89Å; Y168-W180 AromaticContact CE1-CD1 3.74Å; Y168-W180 AromaticContact CE1-NE1 3.7Å |
| 169 | I | 93.1 | Very high | 92.4 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 178.5 | -65 | 166.5 | 0 | 0 | 0 | 109.7 | V165 D166 I171 D173 H177 V181 | V165-I169 HydrophobicContact CG1-CD1 3.64Å; V165-I169 HydrophobicContact CG1-CG1 4.29Å; V165-I169 VanDerWaalsContact O-CG1 3.31Å; V165-I169 WeakPolarHBondContact O-CG1 3.22Å; V165-I169 PolarHBondContact O-N 3.48Å; D166-I169 PolarHBondContact O-N 3.1Å; I169-I171 PolarHBondContact O-N 2.85Å; I169-D173 WeakPolarHBondContact O-CA 3.24Å; I169-D173 PolarHBondContact O-N 2.76Å; I169-H177 HydrophobicContact CD1-CB 3.69Å; I169-H177 HydrophobicContact CG1-CB 3.64Å; I169-H177 HydrophobicContact CG2-CB 4.16Å; I169-V181 HydrophobicContact CD1-CG2 4.45Å |
| 170 | D | 92 | Very high | 92.2 | Very high | 136 Ų | 136 | 61.7 Ų | 61.7 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.4 | -36.8 | -176.5 | -71.2 | -14.2 | 0 | 0 | 0 | 113 | D166 | D166-D170 WeakPolarHBondContact O-CB 3.34Å; D166-D170 VanDerWaalsContact O-CG 3.27Å; D166-D170 PolarHBondContact O-N 3.27Å |
| 171 | I | 92.9 | Very high | 92.1 | Very high | 83 Ų | 83 | 62.9 Ų | 62.9 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -82.4 | -38.2 | -175.3 | -66.4 | 170.6 | 0 | 0 | 0 | 112.2 | N123 E167 I169 | N123-I171 HydrophobicContact CB-CD1 3.73Å; E167-I171 WeakPolarHBondContact O-CB 3.47Å; E167-I171 WeakPolarHBondContact O-CD1 3.48Å; E167-I171 WeakPolarHBondContact O-CG1 3.29Å; E167-I171 PolarHBondContact O-N 2.86Å; I169-I171 PolarHBondContact O-N 2.85Å |
| 172 | Y | 92.3 | Very high | 92 | Very high | 40 Ų | 40 | 66.3 Ų | 66.3 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -112.2 | -3.6 | -167.6 | -60.3 | -78.4 | 0 | 0 | 0 | 114.6 | E125 E126 P128 M131 Y168 A174 | E125-Y172 PolarHBondContact O-OH 3.12Å; E126-Y172 WeakPolarHBondContact O-CE1 3.31Å; P128-Y172 HydrophobicContact CB-CD1 3.87Å; P128-Y172 HydrophobicContact CB-CD2 4.22Å; P128-Y172 HydrophobicContact CB-CE1 4.28Å; P128-Y172 HydrophobicContact CB-CG 3.83Å; P128-Y172 HydrophobicContact CG-CD1 4.32Å; M131-Y172 HydrophobicContact CB-CE2 4.27Å; M131-Y172 HydrophobicContact CG-CE2 3.78Å; Y168-Y172 AromaticContact CD2-CD2 3.74Å; Y168-Y172 HydrophobicContact CD2-CD2 3.74Å; Y168-Y172 HydrophobicContact CD2-CE2 4.36Å; Y168-Y172 HydrophobicContact CE2-CD2 4.21Å; Y168-Y172 WeakPolarHBondContact O-CD2 3.48Å; Y168-Y172 PolarHBondContact O-N 2.86Å; Y172-A174 VanDerWaalsContact C-N 3.32Å; Y172-A174 PolarHBondContact O-N 3Å |
| 173 | D | 83.6 | Confident | 91.9 | Very high | 144 Ų | 144 | 67.3 Ų | 67.3 | 77% | 0.77 | 36% | 0.36 | S | S | * | . | trans | 47.2 | 55.6 | -175.9 | -167 | 24.1 | 0 | 0 | 0 | 111.7 | I169 | I169-D173 WeakPolarHBondContact O-CA 3.24Å; I169-D173 PolarHBondContact O-N 2.76Å | ||
| 174 | A | 80 | Confident | 91.9 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | trans | -79.1 | 127.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y168 Y172 D176 H177 | Y168-A174 HydrophobicContact CD1-CB 4.24Å; Y168-A174 HydrophobicContact CE1-CB 3.4Å; Y168-A174 VanDerWaalsContact CE1-CB 3.4Å; Y168-A174 HydrophobicContact CE2-CB 4.25Å; Y168-A174 VanDerWaalsContact CZ-CB 3.41Å; Y168-A174 WeakPolarHBondContact OH-CB 3.49Å; Y172-A174 VanDerWaalsContact C-N 3.32Å; Y172-A174 PolarHBondContact O-N 3Å; A174-D176 VanDerWaalsContact CB-OD1 3.32Å; A174-D176 WeakPolarHBondContact CB-OD1 3.48Å; A174-D176 PolarHBondContact O-N 2.67Å; A174-D176 VanDerWaalsContact O-N 3.08Å; A174-H177 WeakPolarHBondContact O-CB 3.31Å; A174-H177 PolarHBondContact O-N 2.9Å; A174-H177 VanDerWaalsContact O-N 3.17Å; A174-H177 PolarHBondContact O-ND1 2.94Å | ||
| 175 | D | 83.6 | Confident | 91.9 | Very high | 165 Ų | 165 | 65.5 Ų | 65.5 | 88% | 0.882 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -24.4 | 176.4 | -65.5 | -36.5 | 0 | 0 | 0 | 113.4 | ||
| 176 | D | 89 | Confident | 92 | Very high | 65 Ų | 65 | 67 Ų | 67 | 35% | 0.348 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 9.5 | -177.2 | 70.5 | -20.8 | 0 | 0 | 0 | 114.4 | Y168 A174 L178 G179 W180 | Y168-D176 VanDerWaalsContact CE1-OD1 3.27Å; Y168-D176 WeakPolarHBondContact CE1-OD1 3.39Å; Y168-D176 PolarHBondContact OH-OD1 3.29Å; Y168-D176 PolarHBondContact OH-OD2 2.89Å; A174-D176 VanDerWaalsContact CB-OD1 3.32Å; A174-D176 WeakPolarHBondContact CB-OD1 3.48Å; A174-D176 PolarHBondContact O-N 2.67Å; A174-D176 VanDerWaalsContact O-N 3.08Å; D176-L178 VanDerWaalsContact C-N 3.33Å; D176-L178 PolarHBondContact O-N 2.88Å; D176-G179 WeakPolarHBondContact O-CA 3.35Å; D176-G179 PolarHBondContact O-N 3.29Å; D176-W180 PolarHBondContact O-N 3.41Å; D176-W180 PolarHBondContact OD2-NE1 2.86Å |
| 177 | H | 87.7 | Confident | 92.1 | Very high | 74 Ų | 74 | 63 Ų | 63 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.7 | -42.3 | -176.9 | 65.8 | -85.6 | 0 | 0 | 0 | 113.6 | I169 A174 G179 W180 V181 | I169-H177 HydrophobicContact CD1-CB 3.69Å; I169-H177 HydrophobicContact CG1-CB 3.64Å; I169-H177 HydrophobicContact CG2-CB 4.16Å; A174-H177 WeakPolarHBondContact O-CB 3.31Å; A174-H177 PolarHBondContact O-N 2.9Å; A174-H177 VanDerWaalsContact O-N 3.17Å; A174-H177 PolarHBondContact O-ND1 2.94Å; H177-G179 PolarHBondContact O-N 3.41Å; H177-W180 PolarHBondContact O-N 3.1Å; H177-W180 VanDerWaalsContact O-N 3.11Å; H177-V181 WeakPolarHBondContact O-CG2 3.48Å; H177-V181 PolarHBondContact O-N 2.88Å |
| 178 | L | 91.9 | Very high | 92.2 | Very high | 118 Ų | 118 | 64.9 Ų | 64.9 | 62% | 0.618 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.6 | -36.2 | 177.2 | -68 | 176.5 | 0 | 0 | 0 | 112.2 | D176 T182 | D176-L178 VanDerWaalsContact C-N 3.33Å; D176-L178 PolarHBondContact O-N 2.88Å; L178-T182 WeakPolarHBondContact O-CB 3.44Å; L178-T182 PolarHBondContact O-N 3.3Å; L178-T182 PolarHBondContact O-OG1 3.46Å |
| 179 | G | 93.3 | Very high | 92.3 | Very high | 41 Ų | 41 | 67.4 Ų | 67.4 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D176 H177 T182 V183 | D176-G179 WeakPolarHBondContact O-CA 3.35Å; D176-G179 PolarHBondContact O-N 3.29Å; H177-G179 PolarHBondContact O-N 3.41Å; G179-T182 WeakPolarHBondContact O-CB 3.4Å; G179-T182 PolarHBondContact O-N 3.36Å; G179-V183 WeakPolarHBondContact O-CG2 3.4Å; G179-V183 PolarHBondContact O-N 3.04Å |
| 180 | W | 94.3 | Very high | 92.5 | Very high | 29 Ų | 29 | 65.7 Ų | 65.7 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.5 | -40 | 178.5 | -69.3 | 109.4 | 0 | 0 | 0 | 113.3 | L135 R136 F161 V165 Y168 D176 H177 T182 V183 I184 | L135-W180 HydrophobicContact CB-CE3 4.38Å; L135-W180 HydrophobicContact CB-CH2 3.52Å; L135-W180 HydrophobicContact CB-CZ2 4.01Å; L135-W180 HydrophobicContact CB-CZ3 3.74Å; L135-W180 HydrophobicContact CD1-CD2 3.94Å; L135-W180 HydrophobicContact CD1-CE3 4.22Å; L135-W180 HydrophobicContact CD1-CG 4.5Å; L135-W180 HydrophobicContact CD1-CH2 4.17Å; L135-W180 HydrophobicContact CD1-CZ2 3.89Å; L135-W180 HydrophobicContact CD1-CZ3 4.34Å; R136-W180 HydrophobicContact CG-CH2 4.18Å; F161-W180 HydrophobicContact CE2-CE3 4.33Å; F161-W180 HydrophobicContact CE2-CZ3 4.1Å; F161-W180 AromaticContact CZ-CE3 3.69Å; F161-W180 HydrophobicContact CZ-CE3 3.69Å; F161-W180 AromaticContact CZ-CZ3 3.74Å; F161-W180 HydrophobicContact CZ-CZ3 3.74Å; V165-W180 HydrophobicContact CG1-CB 3.59Å; V165-W180 HydrophobicContact CG1-CG 4.46Å; V165-W180 HydrophobicContact CG2-CB 4.1Å; V165-W180 HydrophobicContact CG2-CE3 4.38Å; Y168-W180 AromaticContact CE1-CD1 3.74Å; Y168-W180 AromaticContact CE1-NE1 3.7Å; D176-W180 PolarHBondContact O-N 3.41Å; D176-W180 PolarHBondContact OD2-NE1 2.86Å; H177-W180 PolarHBondContact O-N 3.1Å; H177-W180 VanDerWaalsContact O-N 3.11Å; W180-T182 VanDerWaalsContact C-N 3.3Å; W180-T182 PolarHBondContact O-N 3.49Å; W180-V183 PolarHBondContact O-N 3.06Å; W180-I184 WeakPolarHBondContact O-CG1 3.36Å; W180-I184 PolarHBondContact O-N 3.08Å |
| 181 | V | 94.5 | Very high | 92.6 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I169 H177 V183 I184 Q185 | I169-V181 HydrophobicContact CD1-CG2 4.45Å; H177-V181 WeakPolarHBondContact O-CG2 3.48Å; H177-V181 PolarHBondContact O-N 2.88Å; V181-V183 PolarHBondContact O-N 3.45Å; V181-I184 PolarHBondContact O-N 2.89Å; V181-Q185 PolarHBondContact O-N 3.4Å |
| 182 | T | 95.1 | Very high | 92.6 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | L178 G179 W180 I184 Q185 E186 | L178-T182 WeakPolarHBondContact O-CB 3.44Å; L178-T182 PolarHBondContact O-N 3.3Å; L178-T182 PolarHBondContact O-OG1 3.46Å; G179-T182 WeakPolarHBondContact O-CB 3.4Å; G179-T182 PolarHBondContact O-N 3.36Å; W180-T182 VanDerWaalsContact C-N 3.3Å; W180-T182 PolarHBondContact O-N 3.49Å; T182-I184 VanDerWaalsContact C-N 3.33Å; T182-I184 PolarHBondContact O-N 3.04Å; T182-Q185 PolarHBondContact O-N 3.01Å; T182-E186 HydrophobicContact CG2-CG 4.37Å; T182-E186 WeakPolarHBondContact O-CG 3.26Å; T182-E186 PolarHBondContact O-N 3.19Å |
| 183 | V | 95.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | F161 G179 W180 V181 E186 M187 F246 | F161-V183 HydrophobicContact CE1-CG1 4.03Å; F161-V183 HydrophobicContact CZ-CG1 4.16Å; G179-V183 WeakPolarHBondContact O-CG2 3.4Å; G179-V183 PolarHBondContact O-N 3.04Å; W180-V183 PolarHBondContact O-N 3.06Å; V181-V183 PolarHBondContact O-N 3.45Å; V183-E186 PolarHBondContact O-N 2.82Å; V183-M187 HydrophobicContact CG1-CE 3.75Å; V183-M187 HydrophobicContact CG1-SD 4.47Å; V183-M187 VanDerWaalsContact O-CG 3.3Å; V183-M187 WeakPolarHBondContact O-CG 3.44Å; V183-M187 PolarHBondContact O-N 3.43Å; V183-F246 HydrophobicContact CG1-CE2 4.33Å |
| 184 | I | 96.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 175 | -68.2 | 163.8 | 0 | 0 | 0 | 110.6 | F161 S162 V165 W180 V181 T182 M187 K188 | F161-I184 HydrophobicContact CD1-CG1 3.78Å; F161-I184 HydrophobicContact CE1-CG1 3.64Å; S162-I184 WeakPolarHBondContact OG-CG2 3.22Å; V165-I184 HydrophobicContact CB-CD1 3.79Å; V165-I184 HydrophobicContact CG1-CD1 3.83Å; V165-I184 HydrophobicContact CG2-CD1 3.92Å; V165-I184 HydrophobicContact CG2-CG1 4.44Å; W180-I184 WeakPolarHBondContact O-CG1 3.36Å; W180-I184 PolarHBondContact O-N 3.08Å; V181-I184 PolarHBondContact O-N 2.89Å; T182-I184 VanDerWaalsContact C-N 3.33Å; T182-I184 PolarHBondContact O-N 3.04Å; I184-M187 PolarHBondContact O-N 3.29Å; I184-K188 HydrophobicContact CG2-CD 4.16Å; I184-K188 WeakPolarHBondContact O-CG 3.45Å; I184-K188 PolarHBondContact O-N 2.93Å; I184-K188 VanDerWaalsContact O-N 3.08Å |
| 185 | Q | 96.7 | Very high | 93.4 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 179.8 | -168.9 | 58.4 | 45.7 | 0 | 0 | 110.9 | V181 T182 M187 K188 D189 | V181-Q185 PolarHBondContact O-N 3.4Å; T182-Q185 PolarHBondContact O-N 3.01Å; Q185-M187 VanDerWaalsContact C-N 3.29Å; Q185-M187 PolarHBondContact O-N 3.28Å; Q185-K188 PolarHBondContact O-N 2.77Å; Q185-K188 VanDerWaalsContact O-N 3.12Å; Q185-D189 PolarHBondContact NE2-OD1 3.37Å; Q185-D189 WeakPolarHBondContact O-CB 3.21Å; Q185-D189 VanDerWaalsContact O-CG 3.23Å; Q185-D189 PolarHBondContact O-N 2.67Å |
| 186 | E | 96.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.5 | -42.1 | 174.5 | -73.7 | 178.1 | -175.9 | 0 | 0 | 112.3 | T182 V183 F190 R245 | T182-E186 HydrophobicContact CG2-CG 4.37Å; T182-E186 WeakPolarHBondContact O-CG 3.26Å; T182-E186 PolarHBondContact O-N 3.19Å; V183-E186 PolarHBondContact O-N 2.82Å; E186-F190 WeakPolarHBondContact O-CB 3.4Å; E186-F190 PolarHBondContact O-N 2.97Å; E186-R245 IonicContact OE1-CZ 2.67Å; E186-R245 IonicContact OE1-NH1 3.29Å; E186-R245 PolarHBondContact OE1-NH1 2.76Å; E186-R245 IonicContact OE1-NH2 3.64Å; E186-R245 PolarHBondContact OE1-NH2 3.18Å; E186-R245 IonicContact OE2-CZ 3.09Å; E186-R245 IonicContact OE2-NH1 3.86Å; E186-R245 PolarHBondContact OE2-NH1 3.38Å |
| 187 | M | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.6 | -72.6 | 173.3 | 179.2 | 0 | 0 | 112.6 | A139 I142 I158 F161 V183 I184 Q185 F190 V191 F246 | A139-M187 HydrophobicContact CB-CE 3.85Å; I142-M187 HydrophobicContact CD1-CE 3.81Å; I142-M187 HydrophobicContact CD1-SD 3.65Å; I142-M187 HydrophobicContact CG2-SD 4.34Å; I158-M187 HydrophobicContact CD1-CB 4.05Å; I158-M187 HydrophobicContact CG1-CB 4.11Å; I158-M187 HydrophobicContact CG1-SD 4.25Å; F161-M187 HydrophobicContact CD1-CE 3.94Å; F161-M187 HydrophobicContact CD1-SD 3.64Å; F161-M187 HydrophobicContact CE1-CE 3.67Å; F161-M187 HydrophobicContact CE1-SD 3.79Å; F161-M187 HydrophobicContact CZ-CE 4.08Å; V183-M187 HydrophobicContact CG1-CE 3.75Å; V183-M187 HydrophobicContact CG1-SD 4.47Å; V183-M187 VanDerWaalsContact O-CG 3.3Å; V183-M187 WeakPolarHBondContact O-CG 3.44Å; V183-M187 PolarHBondContact O-N 3.43Å; I184-M187 PolarHBondContact O-N 3.29Å; Q185-M187 VanDerWaalsContact C-N 3.29Å; Q185-M187 PolarHBondContact O-N 3.28Å; M187-F190 PolarHBondContact O-N 3.36Å; M187-V191 WeakPolarHBondContact O-CG2 3.38Å; M187-V191 PolarHBondContact O-N 2.87Å; M187-V191 VanDerWaalsContact O-N 3.1Å; M187-F246 HydrophobicContact CE-CE1 4.49Å; M187-F246 HydrophobicContact CE-CE2 3.43Å; M187-F246 VanDerWaalsContact CE-CE2 3.43Å; M187-F246 HydrophobicContact CE-CZ 3.39Å; M187-F246 HydrophobicContact CG-CD1 4.5Å; M187-F246 HydrophobicContact CG-CD2 3.62Å; M187-F246 HydrophobicContact CG-CE1 4.25Å; M187-F246 HydrophobicContact CG-CE2 3.35Å; M187-F246 HydrophobicContact CG-CG 4.22Å; M187-F246 HydrophobicContact CG-CZ 3.71Å; M187-F246 HydrophobicContact SD-CE2 4.23Å; M187-F246 HydrophobicContact SD-CZ 4.32Å |
| 188 | K | 96.8 | Very high | 93.2 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 38% | 0.378 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -50.4 | 179.1 | -71.1 | 173.8 | -179.3 | 171.9 | 0 | 110.5 | I158 I184 Q185 F190 V191 D192 | I158-K188 HydrophobicContact CG2-CG 4.03Å; I184-K188 HydrophobicContact CG2-CD 4.16Å; I184-K188 WeakPolarHBondContact O-CG 3.45Å; I184-K188 PolarHBondContact O-N 2.93Å; I184-K188 VanDerWaalsContact O-N 3.08Å; Q185-K188 PolarHBondContact O-N 2.77Å; Q185-K188 VanDerWaalsContact O-N 3.12Å; K188-F190 PolarHBondContact O-N 3.49Å; K188-V191 PolarHBondContact O-N 3.38Å; K188-V191 VanDerWaalsContact O-N 3.16Å; K188-D192 WeakPolarHBondContact O-CB 3.29Å; K188-D192 PolarHBondContact O-N 3.44Å |
| 189 | D | 96 | Very high | 92.7 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58 | -38.6 | 177.4 | -65.9 | -16.3 | 0 | 0 | 0 | 111 | Q185 G193 I244 | Q185-D189 PolarHBondContact NE2-OD1 3.37Å; Q185-D189 WeakPolarHBondContact O-CB 3.21Å; Q185-D189 VanDerWaalsContact O-CG 3.23Å; Q185-D189 PolarHBondContact O-N 2.67Å; D189-G193 WeakPolarHBondContact O-CA 3.29Å; D189-G193 PolarHBondContact O-N 2.81Å; D189-I244 HydrophobicContact CB-CD1 4.35Å; D189-I244 HydrophobicContact CB-CG1 4.38Å; D189-I244 HydrophobicContact CB-CG2 4.05Å |
| 190 | F | 96.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 177.9 | -166.3 | -83.9 | 0 | 0 | 0 | 112.9 | L146 E186 M187 K188 N194 I244 F246 L249 L251 Y254 | L146-F190 HydrophobicContact CD1-CD1 3.96Å; L146-F190 HydrophobicContact CD1-CE1 4.2Å; E186-F190 WeakPolarHBondContact O-CB 3.4Å; E186-F190 PolarHBondContact O-N 2.97Å; M187-F190 PolarHBondContact O-N 3.36Å; K188-F190 PolarHBondContact O-N 3.49Å; F190-N194 WeakPolarHBondContact O-CB 3.32Å; F190-N194 PolarHBondContact O-N 3Å; F190-I244 HydrophobicContact CB-CG2 4.12Å; F190-I244 HydrophobicContact CD2-CG2 4.22Å; F190-F246 HydrophobicContact CB-CB 3.9Å; F190-F246 HydrophobicContact CD2-CB 3.67Å; F190-F246 HydrophobicContact CE2-CB 4.32Å; F190-F246 HydrophobicContact CG-CB 3.8Å; F190-L249 WeakPolarHBondContact CE2-O 3.32Å; F190-L251 HydrophobicContact CD1-CD2 4.37Å; F190-L251 HydrophobicContact CD2-CD2 4.01Å; F190-L251 HydrophobicContact CD2-CG 4.29Å; F190-L251 HydrophobicContact CE1-CD2 4.2Å; F190-L251 HydrophobicContact CE2-CD2 3.84Å; F190-L251 HydrophobicContact CE2-CG 4.19Å; F190-L251 HydrophobicContact CG-CD2 4.28Å; F190-L251 HydrophobicContact CZ-CD2 3.95Å; F190-Y254 HydrophobicContact CE1-CD1 4.3Å; F190-Y254 HydrophobicContact CE1-CD2 4.16Å; F190-Y254 HydrophobicContact CE1-CE2 4.38Å; F190-Y254 HydrophobicContact CE1-CG 4.11Å; F190-Y254 HydrophobicContact CZ-CD1 4.1Å; F190-Y254 AromaticContact CZ-CD2 3.92Å; F190-Y254 HydrophobicContact CZ-CD2 3.92Å; F190-Y254 AromaticContact CZ-CG 3.64Å; F190-Y254 HydrophobicContact CZ-CG 3.64Å |
| 191 | V | 94.8 | Very high | 91 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 176.5 | 169 | 0 | 0 | 0 | 0 | 110.8 | L146 M151 N155 I158 M187 K188 N194 S195 | L146-V191 HydrophobicContact CD2-CG2 3.76Å; M151-V191 HydrophobicContact CE-CB 4.3Å; M151-V191 HydrophobicContact CE-CG1 3.78Å; M151-V191 HydrophobicContact CE-CG2 4.11Å; N155-V191 WeakPolarHBondContact OD1-CG1 3.35Å; I158-V191 HydrophobicContact CD1-CG2 3.62Å; M187-V191 WeakPolarHBondContact O-CG2 3.38Å; M187-V191 PolarHBondContact O-N 2.87Å; M187-V191 VanDerWaalsContact O-N 3.1Å; K188-V191 PolarHBondContact O-N 3.38Å; K188-V191 VanDerWaalsContact O-N 3.16Å; V191-N194 PolarHBondContact O-N 3.27Å; V191-S195 PolarHBondContact O-N 3.49Å |
| 192 | D | 93.3 | Very high | 89.5 | Confident | 98 Ų | 98 | 45.8 Ų | 45.8 | 52% | 0.524 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 179.9 | -70.2 | -11.3 | 0 | 0 | 0 | 110.3 | K188 N194 S195 R442 | K188-D192 WeakPolarHBondContact O-CB 3.29Å; K188-D192 PolarHBondContact O-N 3.44Å; D192-N194 VanDerWaalsContact C-N 3.27Å; D192-N194 PolarHBondContact O-N 2.64Å; D192-S195 PolarHBondContact O-N 2.82Å; D192-R442 PolarHBondContact O-NH2 3.04Å |
| 193 | G | 92.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.5 | -36.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D189 | D189-G193 WeakPolarHBondContact O-CA 3.29Å; D189-G193 PolarHBondContact O-N 2.81Å |
| 194 | N | 90.1 | Very high | 85.2 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.6 | -24.1 | 175.5 | -174.6 | 52.7 | 0 | 0 | 0 | 113.3 | F190 V191 D192 I196 L251 | F190-N194 WeakPolarHBondContact O-CB 3.32Å; F190-N194 PolarHBondContact O-N 3Å; V191-N194 PolarHBondContact O-N 3.27Å; D192-N194 VanDerWaalsContact C-N 3.27Å; D192-N194 PolarHBondContact O-N 2.64Å; N194-I196 PolarHBondContact O-N 3.5Å; N194-I196 VanDerWaalsContact O-N 3.11Å; N194-L251 HydrophobicContact CB-CD2 4.07Å |
| 195 | S | 89.2 | Confident | 82.8 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 47% | 0.469 | 31% | 0.307 | S | S | . | . | trans | -84.2 | 77.1 | 178.8 | -166 | 0 | 0 | 0 | 0 | 111.7 | V191 D192 R442 | V191-S195 PolarHBondContact O-N 3.49Å; D192-S195 PolarHBondContact O-N 2.82Å; S195-R442 PolarHBondContact O-NH2 3.12Å | ||
| 196 | I | 87.8 | Confident | 80.4 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -81.8 | -46.1 | 179.6 | -57.7 | 174.9 | 0 | 0 | 0 | 111.2 | N194 L448 T455 L459 | N194-I196 PolarHBondContact O-N 3.5Å; N194-I196 VanDerWaalsContact O-N 3.11Å; I196-L448 HydrophobicContact CD1-CD1 3.68Å; I196-L448 HydrophobicContact CD1-CD2 3.46Å; I196-L448 VanDerWaalsContact CD1-CD2 3.46Å; I196-L448 HydrophobicContact CD1-CG 4.21Å; I196-T455 HydrophobicContact CB-CG2 3.85Å; I196-T455 HydrophobicContact CD1-CG2 4.06Å; I196-T455 HydrophobicContact CG2-CG2 4.02Å; I196-L459 HydrophobicContact CG2-CB 3.98Å; I196-L459 HydrophobicContact CG2-CD1 4Å; I196-L459 HydrophobicContact CG2-CD2 4.33Å; I196-L459 HydrophobicContact CG2-CG 4.32Å |
| 197 | C | 84.2 | Confident | 78.1 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -131.4 | 120.7 | -179.9 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | T464 I466 | C197-T464 WeakPolarHBondContact CA-O 3.48Å; C197-I466 WeakPolarHBondContact SG-CD1 3.46Å; C197-I466 VanDerWaalsContact SG-CG1 3.56Å |
| 198 | E | 84.2 | Confident | 76.1 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.4 | 177.4 | -174.8 | 179.8 | -165.8 | 0 | 0 | 110 | I200 T464 K465 I466 | E198-I200 HydrophobicContact CG-CG1 4.49Å; E198-T464 PolarHBondContact N-O 3.25Å; E198-K465 HydrophobicContact CB-CG 4.35Å; E198-K465 WeakPolarHBondContact O-CA 3.47Å; E198-K465 WeakPolarHBondContact OE2-CE 3.34Å; E198-K465 IonicContact OE2-NZ 3.73Å; E198-I466 PolarHBondContact O-N 2.96Å |
| 199 | I | 82.1 | Confident | 74.4 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 115.8 | 172.3 | -55.9 | 172.4 | 0 | 0 | 0 | 108.1 | I466 L468 W471 | I199-I466 CarbonylContact C-O 3.5Å; I199-I466 WeakPolarHBondContact CA-O 3.39Å; I199-L468 HydrophobicContact CG2-CB 4Å; I199-L468 HydrophobicContact CG2-CD1 3.92Å; I199-W471 HydrophobicContact CD1-CD2 3.62Å; I199-W471 HydrophobicContact CD1-CE3 4.04Å; I199-W471 HydrophobicContact CD1-CG 3.93Å; I199-W471 HydrophobicContact CD1-CH2 4.46Å; I199-W471 HydrophobicContact CD1-CZ2 4.09Å; I199-W471 HydrophobicContact CD1-CZ3 4.43Å; I199-W471 HydrophobicContact CG1-CD2 4.04Å; I199-W471 HydrophobicContact CG1-CE3 4.02Å; I199-W471 HydrophobicContact CG1-CG 4.39Å; I199-W471 HydrophobicContact CG1-CZ3 4.47Å |
| 200 | I | 81.4 | Confident | 73.2 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.2 | 177.7 | -53.9 | 174 | 0 | 0 | 0 | 107.7 | E198 K465 I466 T467 L468 | E198-I200 HydrophobicContact CG-CG1 4.49Å; I200-K465 HydrophobicContact CD1-CB 3.92Å; I200-K465 HydrophobicContact CD1-CD 4.15Å; I200-K465 HydrophobicContact CD1-CG 4.23Å; I200-I466 PolarHBondContact N-O 2.99Å; I200-T467 CarbonylContact O-C 3.56Å; I200-T467 VanDerWaalsContact O-CA 3.31Å; I200-T467 WeakPolarHBondContact O-CA 3.41Å; I200-L468 PolarHBondContact O-N 3.41Å |
| 201 | D | 71.2 | Confident | 72.4 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | trans | -107.5 | 131.4 | 168.3 | 179.9 | 6.9 | 0 | 0 | 0 | 107.9 | D203 T204 L468 | D201-D203 VanDerWaalsContact C-N 3.28Å; D201-D203 PolarHBondContact OD1-N 3.18Å; D201-T204 WeakPolarHBondContact CB-O 3.08Å; D201-T204 PolarHBondContact OD2-N 3.37Å; D201-T204 PolarHBondContact OD2-OG1 2.96Å; D201-T204 VanDerWaalsContact OD2-OG1 3.04Å; D201-L468 HydrophobicContact CB-CB 4.2Å; D201-L468 HydrophobicContact CB-CD2 4.1Å | ||
| 202 | C | 61.8 | Low | 72 | Confident | 106 Ų | 106 | 62.5 Ų | 62.5 | 72% | 0.716 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -69.3 | -29.2 | -179.2 | -41.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 203 | D | 54.1 | Low | 71.8 | Confident | 145 Ų | 145 | 58 Ų | 58 | 78% | 0.775 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -129.8 | -3 | -161.1 | -66.4 | -48.1 | 0 | 0 | 0 | 115.6 | D201 | D201-D203 VanDerWaalsContact C-N 3.28Å; D201-D203 PolarHBondContact OD1-N 3.18Å |
| 204 | T | 47.9 | Very low | 71.4 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 53% | 0.534 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -159.3 | 150.8 | 171.2 | 10.8 | 0 | 0 | 0 | 0 | 111.9 | D201 Q206 | D201-T204 WeakPolarHBondContact CB-O 3.08Å; D201-T204 PolarHBondContact OD2-N 3.37Å; D201-T204 PolarHBondContact OD2-OG1 2.96Å; D201-T204 VanDerWaalsContact OD2-OG1 3.04Å; T204-Q206 PolarHBondContact O-N 2.71Å; T204-Q206 VanDerWaalsContact O-N 3.09Å |
| 205 | P | 44.5 | Very low | 70.7 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -84.6 | 105.8 | -171.7 | 36.5 | -35.5 | 0 | 0 | 0 | 110.3 | K152 | K152-P205 PolarHBondContact NZ-O 3.07Š|
| 206 | Q | 47.5 | Very low | 69.9 | Low | 100 Ų | 100 | 64.6 Ų | 64.6 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | trans | 48.9 | 93.9 | 163.7 | -71.3 | -173.3 | -16.2 | 0 | 0 | 116.5 | T204 Y208 | T204-Q206 PolarHBondContact O-N 2.71Å; T204-Q206 VanDerWaalsContact O-N 3.09Å; Q206-Y208 PolarHBondContact O-N 2.82Å | ||
| 207 | I | 48.3 | Very low | 69.5 | Low | 108 Ų | 108 | 64.5 Ų | 64.5 | 55% | 0.554 | 35% | 0.349 | S | S | * | . | trans | -69.3 | 122 | 161.6 | -60.2 | 175.7 | 0 | 0 | 0 | 108.1 | T209 L468 | I207-T209 PolarHBondContact O-N 3.28Å; I207-T209 VanDerWaalsContact O-N 3.16Å; I207-L468 HydrophobicContact CD1-CD2 4.25Å | ||
| 208 | Y | 53.6 | Low | 69.4 | Low | 87 Ų | 87 | 64 Ų | 64 | 34% | 0.341 | 35% | 0.345 | S | S | . | . | trans | -72.1 | 106 | 175.4 | -173.4 | -98.4 | 0 | 0 | 0 | 109.6 | G149 Q206 S210 Q258 | G149-Y208 VanDerWaalsContact CA-CE2 3.45Å; Q206-Y208 PolarHBondContact O-N 2.82Å; Y208-S210 PolarHBondContact O-N 3.36Å; Y208-S210 VanDerWaalsContact O-N 3.08Å; Y208-Q258 PolarHBondContact OH-OE1 2.93Å | ||
| 209 | T | 60.9 | Low | 69.3 | Low | 47 Ų | 47 | 60.7 Ų | 60.7 | 29% | 0.288 | 33% | 0.33 | S | S | . | . | trans | -73.5 | 98.9 | 167 | 54.3 | 0 | 0 | 0 | 0 | 108.2 | I207 R211 | I207-T209 PolarHBondContact O-N 3.28Å; I207-T209 VanDerWaalsContact O-N 3.16Å; T209-R211 PolarHBondContact O-N 3.42Å | ||
| 210 | S | 72.1 | Confident | 69.2 | Low | 28 Ų | 28 | 65.6 Ų | 65.6 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | trans | -57.4 | 126.1 | 177.6 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | Y208 D263 | Y208-S210 PolarHBondContact O-N 3.36Å; Y208-S210 VanDerWaalsContact O-N 3.08Å; S210-D263 WeakPolarHBondContact CB-OD2 3.45Å; S210-D263 PolarHBondContact OG-OD2 3.17Å | ||
| 211 | R | 78.4 | Confident | 68.9 | Low | 51 Ų | 51 | 63.7 Ų | 63.7 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | trans | -88.1 | 1.8 | 177.8 | -57.3 | 178.7 | -175.9 | 164 | 3 | 112.6 | T209 H451 | T209-R211 PolarHBondContact O-N 3.42Å; R211-H451 WeakPolarHBondContact CD-NE2 3.43Å; R211-H451 PolarHBondContact NH1-NE2 3.18Å | ||
| 212 | R | 88.1 | Confident | 68.5 | Low | 9 Ų | 9 | 69.1 Ų | 69.1 | 3% | 0.034 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -76.2 | 153.2 | 179.5 | -64.5 | -174.4 | 173.8 | 92.7 | 3.1 | 110.8 | L147 N214 N217 E261 D263 | L147-R212 PolarHBondContact O-NH2 3.26Å; R212-N214 PolarHBondContact O-N 2.84Å; R212-N214 PolarHBondContact O-ND2 2.97Å; R212-N217 PolarHBondContact O-ND2 3.47Å; R212-E261 CarbonylContact C-O 3.54Å; R212-E261 WeakPolarHBondContact CA-O 3.38Å; R212-E261 WeakPolarHBondContact CB-O 3.45Å; R212-E261 HydrophobicContact CG-CB 4.04Å; R212-E261 IonicContact CZ-OE2 3.89Å; R212-E261 IonicContact NE-OE2 3.36Å; R212-E261 PolarHBondContact NE-OE2 3.43Å; R212-E261 IonicContact NH2-OE2 3.47Å; R212-E261 PolarHBondContact NH2-OE2 3.41Å; R212-D263 HydrophobicContact CB-CB 4.06Å |
| 213 | L | 88.2 | Confident | 68.2 | Low | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -62.9 | 129 | 179.1 | -169.5 | 79 | 0 | 0 | 0 | 110.2 | T218 E261 R262 D263 D506 F507 I510 | L213-T218 HydrophobicContact CD1-CG2 4.34Å; L213-T218 WeakPolarHBondContact CD1-OG1 3.5Å; L213-E261 PolarHBondContact N-O 2.94Å; L213-R262 HydrophobicContact CB-CG 4.47Å; L213-R262 HydrophobicContact CD2-CG 4.22Å; L213-R262 CarbonylContact O-C 3.58Å; L213-R262 WeakPolarHBondContact O-CA 3.44Å; L213-D263 PolarHBondContact O-N 3.48Å; L213-D506 HydrophobicContact CD1-CB 4.48Å; L213-D506 HydrophobicContact CD2-CB 3.57Å; L213-F507 HydrophobicContact CB-CD1 4.18Å; L213-F507 HydrophobicContact CB-CE1 3.68Å; L213-F507 HydrophobicContact CB-CZ 4.36Å; L213-F507 HydrophobicContact CD2-CD1 3.72Å; L213-F507 HydrophobicContact CD2-CD2 4.17Å; L213-F507 HydrophobicContact CD2-CE1 3.62Å; L213-F507 HydrophobicContact CD2-CE2 4.08Å; L213-F507 HydrophobicContact CD2-CG 4.02Å; L213-F507 HydrophobicContact CD2-CZ 3.84Å; L213-F507 HydrophobicContact CG-CD1 4.38Å; L213-F507 HydrophobicContact CG-CE1 4.23Å; L213-I510 HydrophobicContact CD1-CB 4.33Å; L213-I510 HydrophobicContact CD1-CG2 3.97Å |
| 214 | N | 84 | Confident | 68 | Low | 30 Ų | 30 | 73.9 Ų | 73.9 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | trans | -146.1 | 172.1 | 173.1 | 64.6 | 62.9 | 0 | 0 | 0 | 110 | R212 L216 N217 T218 D263 | R212-N214 PolarHBondContact O-N 2.84Å; R212-N214 PolarHBondContact O-ND2 2.97Å; N214-L216 PolarHBondContact O-N 3.13Å; N214-L216 WeakPolarHBondContact OD1-CA 3.23Å; N214-L216 VanDerWaalsContact OD1-CB 3.3Å; N214-L216 WeakPolarHBondContact OD1-CB 3.29Å; N214-L216 PolarHBondContact OD1-N 2.91Å; N214-N217 PolarHBondContact N-OD1 3.27Å; N214-N217 PolarHBondContact ND2-ND2 3.43Å; N214-N217 PolarHBondContact O-N 3.4Å; N214-N217 PolarHBondContact O-OD1 3.43Å; N214-N217 PolarHBondContact OD1-N 2.95Å; N214-T218 PolarHBondContact O-N 3.25Å; N214-T218 PolarHBondContact O-OG1 2.88Å; N214-D263 HydrophobicContact CB-CB 4.07Å | ||
| 215 | V | 74.8 | Confident | 68.1 | Low | 53 Ų | 53 | 78.6 Ų | 78.6 | 32% | 0.321 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -63.1 | -29.5 | -176 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | Q220 | V215-Q220 PolarHBondContact O-NE2 3.32Å; V215-Q220 VanDerWaalsContact O-NE2 3.12Å |
| 216 | L | 73.8 | Confident | 68.6 | Low | 140 Ų | 140 | 76.1 Ų | 76.1 | 73% | 0.733 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -30.7 | -175.7 | -56.6 | 172.8 | 0 | 0 | 0 | 112.7 | N214 | N214-L216 PolarHBondContact O-N 3.13Å; N214-L216 WeakPolarHBondContact OD1-CA 3.23Å; N214-L216 VanDerWaalsContact OD1-CB 3.3Å; N214-L216 WeakPolarHBondContact OD1-CB 3.29Å; N214-L216 PolarHBondContact OD1-N 2.91Å |
| 217 | N | 79.4 | Confident | 69.1 | Low | 21 Ų | 21 | 73.1 Ų | 73.1 | 11% | 0.112 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 11.4 | -177.6 | 70.5 | 8 | 0 | 0 | 0 | 114.1 | R212 N214 I510 | R212-N217 PolarHBondContact O-ND2 3.47Å; N214-N217 PolarHBondContact N-OD1 3.27Å; N214-N217 PolarHBondContact ND2-ND2 3.43Å; N214-N217 PolarHBondContact O-N 3.4Å; N214-N217 PolarHBondContact O-OD1 3.43Å; N214-N217 PolarHBondContact OD1-N 2.95Å; N217-I510 VanDerWaalsContact O-CD1 3.27Å; N217-I510 WeakPolarHBondContact O-CD1 3.35Å |
| 218 | T | 80.5 | Confident | 70.4 | Confident | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -124.5 | 121 | 179.5 | -47.2 | 0 | 0 | 0 | 0 | 109.7 | L213 N214 Q220 D506 | L213-T218 HydrophobicContact CD1-CG2 4.34Å; L213-T218 WeakPolarHBondContact CD1-OG1 3.5Å; N214-T218 PolarHBondContact O-N 3.25Å; N214-T218 PolarHBondContact O-OG1 2.88Å; T218-Q220 PolarHBondContact O-N 3.15Å; T218-Q220 PolarHBondContact O-NE2 3.1Å; T218-D506 HydrophobicContact CG2-CB 4.2Å |
| 219 | P | 82.5 | Confident | 72.2 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 7% | 0.065 | 36% | 0.357 | C | S | . | . | trans | -54.9 | 127.3 | 173.9 | -27.3 | 36.4 | 0 | 0 | 0 | 111 | L482 R509 L513 | P219-L482 HydrophobicContact CG-CB 4.24Å; P219-R509 PolarHBondContact O-NH1 3.49Å; P219-L513 HydrophobicContact CG-CD1 3.79Å | ||
| 220 | Q | 79.5 | Confident | 73.7 | Confident | 131 Ų | 131 | 72.5 Ų | 72.5 | 61% | 0.612 | 36% | 0.359 | S | S | * | . | trans | -73.2 | 142.4 | -179 | -60.9 | -61.5 | -53.6 | 0 | 0 | 110.6 | V215 T218 | V215-Q220 PolarHBondContact O-NE2 3.32Å; V215-Q220 VanDerWaalsContact O-NE2 3.12Å; T218-Q220 PolarHBondContact O-N 3.15Å; T218-Q220 PolarHBondContact O-NE2 3.1Å | ||
| 221 | I | 75.1 | Confident | 74.8 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | trans | -114.3 | 135.7 | 177.7 | -58.2 | -170.7 | 0 | 0 | 0 | 109.2 | R223 Y486 L503 | I221-R223 PolarHBondContact O-N 3.3Å; I221-R223 VanDerWaalsContact O-N 3.08Å; I221-Y486 HydrophobicContact CD1-CE2 3.85Å; I221-Y486 VanDerWaalsContact CD1-OH 3.25Å; I221-Y486 WeakPolarHBondContact CD1-OH 3.09Å; I221-Y486 HydrophobicContact CG1-CE1 4.31Å; I221-Y486 HydrophobicContact CG1-CE2 4.18Å; I221-Y486 WeakPolarHBondContact CG1-OH 3.22Å; I221-L503 VanDerWaalsContact CD1-O 3.24Å; I221-L503 WeakPolarHBondContact CD1-O 3.47Å | ||
| 222 | D | 64.1 | Low | 75.6 | Confident | 156 Ų | 156 | 69.7 Ų | 69.7 | 83% | 0.834 | 35% | 0.347 | S | S | * | . | trans | -68.7 | 100.5 | 161.4 | -71.8 | -34.7 | 0 | 0 | 0 | 108.7 | H224 | D222-H224 PolarHBondContact O-N 3.1Š| ||
| 223 | R | 56.1 | Low | 75.9 | Confident | 175 Ų | 175 | 69.6 Ų | 69.6 | 66% | 0.66 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 6.9 | -166.5 | -72 | -173.3 | 172.7 | -168.8 | -3.3 | 116.2 | I221 E225 | I221-R223 PolarHBondContact O-N 3.3Å; I221-R223 VanDerWaalsContact O-N 3.08Å; R223-E225 PolarHBondContact O-N 3.23Å |
| 224 | H | 48 | Very low | 76.3 | Confident | 175 Ų | 175 | 69.4 Ų | 69.4 | 81% | 0.81 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -17.1 | -155.5 | -94.2 | -71.9 | 0 | 0 | 0 | 116.7 | D222 | D222-H224 PolarHBondContact O-N 3.1Š|
| 225 | E | 50.9 | Low | 77 | Confident | 186 Ų | 186 | 68 Ų | 68 | 87% | 0.869 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -142.7 | -0.8 | -165.9 | -60.3 | -170.1 | 164.7 | 0 | 0 | 117.7 | R223 | R223-E225 PolarHBondContact O-N 3.23Š|
| 226 | L | 54.8 | Low | 78.1 | Confident | 46 Ų | 46 | 65.4 Ų | 65.4 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -106.7 | 132.7 | -176.6 | -71.3 | 156.6 | 0 | 0 | 0 | 112.1 | H228 M490 | L226-H228 PolarHBondContact O-CE1 2.7Å; L226-H228 PolarHBondContact O-N 2.77Å; L226-H228 PolarHBondContact O-ND1 2.91Å; L226-H228 VanDerWaalsContact O-ND1 3.14Å; L226-M490 HydrophobicContact CD1-CE 3.63Å |
| 227 | G | 58.9 | Low | 79.3 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | trans | -45 | 129.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L229 S504 | G227-L229 PolarHBondContact O-N 3.02Å; G227-L229 VanDerWaalsContact O-N 3.09Å; G227-S504 PolarHBondContact O-OG 3.16Å | ||
| 228 | H | 75.7 | Confident | 80.1 | Confident | 138 Ų | 138 | 58 Ų | 58 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | trans | -88 | 73.1 | -171.4 | -57.7 | -45.4 | 0 | 0 | 0 | 111 | L226 S327 | L226-H228 PolarHBondContact O-CE1 2.7Å; L226-H228 PolarHBondContact O-N 2.77Å; L226-H228 PolarHBondContact O-ND1 2.91Å; L226-H228 VanDerWaalsContact O-ND1 3.14Å; H228-S327 WeakPolarHBondContact O-CB 2.98Å | ||
| 229 | L | 90.5 | Very high | 80.8 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | trans | -66.8 | 141.9 | 160.1 | -71.7 | -172.2 | 0 | 0 | 0 | 109.4 | G227 S327 P399 P422 Q501 F502 | G227-L229 PolarHBondContact O-N 3.02Å; G227-L229 VanDerWaalsContact O-N 3.09Å; L229-S327 WeakPolarHBondContact CA-O 3.27Å; L229-P399 HydrophobicContact CD1-CB 3.73Å; L229-P399 HydrophobicContact CD1-CG 3.97Å; L229-P399 HydrophobicContact CD2-CB 4.23Å; L229-P399 HydrophobicContact CD2-CG 3.7Å; L229-P422 HydrophobicContact CD1-CB 4.22Å; L229-P422 HydrophobicContact CD1-CG 4.11Å; L229-Q501 HydrophobicContact CD1-CB 3.79Å; L229-Q501 HydrophobicContact CG-CB 4.42Å; L229-F502 HydrophobicContact CD1-CD1 3.94Å; L229-F502 HydrophobicContact CD1-CE1 3.84Å | ||
| 230 | Q | 92.8 | Very high | 81.3 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.7 | 173.6 | -175.5 | 179 | -5.9 | 0 | 0 | 109.3 | S232 S327 G328 A329 D505 | Q230-S232 PolarHBondContact O-N 2.95Å; Q230-S232 PolarHBondContact O-OG 3Å; Q230-S327 PolarHBondContact N-O 3.21Å; Q230-G328 WeakPolarHBondContact O-CA 3.16Å; Q230-A329 PolarHBondContact O-N 2.96Å; Q230-D505 WeakPolarHBondContact CA-OD2 3.46Å |
| 231 | L | 95.5 | Very high | 81.5 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 113.2 | 170.6 | -179.3 | 58.6 | 0 | 0 | 0 | 108.7 | E233 V234 F260 P300 L331 D505 F507 L508 | L231-E233 WeakPolarHBondContact CD1-O 3.2Å; L231-V234 HydrophobicContact CD1-CG2 3.95Å; L231-V234 HydrophobicContact CD2-CG2 3.8Å; L231-V234 HydrophobicContact CG-CG2 3.95Å; L231-F260 HydrophobicContact CD2-CD1 4.01Å; L231-F260 HydrophobicContact CD2-CE1 4.28Å; L231-P300 HydrophobicContact CD2-CB 4.49Å; L231-P300 HydrophobicContact CD2-CG 4.18Å; L231-P300 HydrophobicContact CG-CB 4.01Å; L231-P300 HydrophobicContact CG-CG 4.23Å; L231-L331 HydrophobicContact CD1-CB 3.51Å; L231-L331 HydrophobicContact CD2-CB 4.48Å; L231-L331 HydrophobicContact CD2-CD1 4.45Å; L231-D505 PolarHBondContact N-OD2 3.03Å; L231-F507 HydrophobicContact CD2-CB 3.64Å; L231-F507 HydrophobicContact CD2-CD2 4.35Å; L231-F507 HydrophobicContact CD2-CG 4.19Å; L231-L508 HydrophobicContact CB-CD1 4.48Å; L231-L508 HydrophobicContact CB-CG 4.29Å; L231-L508 HydrophobicContact CD1-CD2 4.28Å; L231-L508 HydrophobicContact CD2-CD2 4.13Å; L231-L508 HydrophobicContact CD2-CG 4.46Å |
| 232 | S | 94.4 | Very high | 82.2 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -37.6 | -172.2 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | Q230 P300 H301 P325 G328 A329 | Q230-S232 PolarHBondContact O-N 2.95Å; Q230-S232 PolarHBondContact O-OG 3Å; S232-P300 WeakPolarHBondContact O-CA 3.27Å; S232-H301 PolarHBondContact O-N 3.36Å; S232-P325 WeakPolarHBondContact OG-CG 3.31Å; S232-G328 WeakPolarHBondContact OG-CA 3.28Å; S232-A329 PolarHBondContact N-O 3Å |
| 233 | E | 95.3 | Very high | 83.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.4 | -179.9 | -61.1 | -64.3 | 144.6 | 0 | 0 | 110.3 | H40 L231 H301 Y303 A320 L324 A329 L330 L331 | H40-E233 IonicContact CD2-OE1 2.63Å; H40-E233 IonicContact CE1-OE1 2.97Å; H40-E233 PolarHBondContact CE1-OE1 3.06Å; H40-E233 IonicContact NE2-OE1 3.49Å; H40-E233 PolarHBondContact NE2-OE1 2.99Å; H40-E233 IonicContact NE2-OE2 3.71Å; L231-E233 WeakPolarHBondContact CD1-O 3.2Å; E233-H301 CarbonylContact C-O 3.55Å; E233-H301 WeakPolarHBondContact CA-O 3.37Å; E233-H301 IonicContact OE2-CG 3Å; E233-H301 IonicContact OE2-ND1 3.26Å; E233-H301 PolarHBondContact OE2-ND1 3.29Å; E233-H301 VanDerWaalsContact OE2-ND1 3.09Å; E233-Y303 WeakPolarHBondContact OE2-CE2 3.48Å; E233-Y303 PolarHBondContact OE2-OH 3.34Å; E233-A320 HydrophobicContact CB-CB 4Å; E233-A320 HydrophobicContact CG-CB 4.12Å; E233-L324 HydrophobicContact CB-CD2 4.14Å; E233-L324 HydrophobicContact CG-CD2 3.81Å; E233-L324 HydrophobicContact CG-CG 4.38Å; E233-A329 PolarHBondContact N-O 3.5Å; E233-L330 HydrophobicContact CB-CD1 3.79Å; E233-L330 WeakPolarHBondContact O-CA 3.3Å; E233-L331 PolarHBondContact O-N 2.96Å |
| 234 | V | 96.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125.1 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | L231 I236 F260 P300 H301 K302 Y303 L331 | L231-V234 HydrophobicContact CD1-CG2 3.95Å; L231-V234 HydrophobicContact CD2-CG2 3.8Å; L231-V234 HydrophobicContact CG-CG2 3.95Å; V234-I236 HydrophobicContact CG1-CD1 4.3Å; V234-I236 HydrophobicContact CG1-CG1 3.77Å; V234-F260 HydrophobicContact CG1-CD2 3.77Å; V234-F260 HydrophobicContact CG1-CE2 4.06Å; V234-F260 HydrophobicContact CG1-CG 4.36Å; V234-F260 HydrophobicContact CG2-CG 4.33Å; V234-P300 HydrophobicContact CG2-CB 3.8Å; V234-P300 HydrophobicContact CG2-CG 3.84Å; V234-H301 PolarHBondContact N-O 3.36Å; V234-K302 HydrophobicContact CB-CG 4.16Å; V234-K302 CarbonylContact O-C 3.53Å; V234-K302 VanDerWaalsContact O-CA 3.3Å; V234-K302 WeakPolarHBondContact O-CA 3.44Å; V234-Y303 PolarHBondContact O-N 3.14Å; V234-L331 CarbonylContact C-O 3.53Å; V234-L331 VanDerWaalsContact CA-O 3.31Å; V234-L331 WeakPolarHBondContact CA-O 3.3Å; V234-L331 HydrophobicContact CG1-CD2 3.82Å; V234-L331 HydrophobicContact CG2-CB 4.21Å |
| 235 | L | 97.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.4 | 165.4 | -76.5 | 90 | 0 | 0 | 0 | 109.5 | Y303 L305 V317 A320 L330 L331 L332 Y333 | L235-Y303 HydrophobicContact CD1-CD2 3.96Å; L235-Y303 HydrophobicContact CG-CD2 3.9Å; L235-Y303 HydrophobicContact CG-CG 4.38Å; L235-L305 HydrophobicContact CD2-CD1 4.08Å; L235-V317 HydrophobicContact CD2-CB 4.37Å; L235-V317 HydrophobicContact CD2-CG2 3.53Å; L235-A320 HydrophobicContact CD1-CB 3.6Å; L235-L330 HydrophobicContact CD1-CD1 3.39Å; L235-L331 PolarHBondContact N-O 2.57Å; L235-L332 HydrophobicContact CB-CD1 3.8Å; L235-Y333 PolarHBondContact O-N 3.27Å |
| 236 | I | 98 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 107.1 | 175.7 | -54.5 | -176.3 | 0 | 0 | 0 | 107.6 | V234 M253 M256 L257 F260 K302 Y303 L304 L305 Y333 | V234-I236 HydrophobicContact CG1-CD1 4.3Å; V234-I236 HydrophobicContact CG1-CG1 3.77Å; I236-M253 HydrophobicContact CG2-CB 3.98Å; I236-M253 HydrophobicContact CG2-CG 3.94Å; I236-M256 HydrophobicContact CD1-CB 4.18Å; I236-M256 HydrophobicContact CG2-CB 4.35Å; I236-L257 HydrophobicContact CD1-CB 4.26Å; I236-F260 HydrophobicContact CD1-CD2 4.39Å; I236-K302 HydrophobicContact CD1-CD 4.38Å; I236-Y303 PolarHBondContact N-O 3.22Å; I236-L304 HydrophobicContact CB-CD2 3.84Å; I236-L304 HydrophobicContact CD1-CD2 3.87Å; I236-L304 HydrophobicContact CG1-CD2 4.2Å; I236-L304 HydrophobicContact CG2-CD2 4.3Å; I236-L305 PolarHBondContact O-N 3.01Å; I236-Y333 HydrophobicContact CB-CD1 4.41Å; I236-Y333 HydrophobicContact CG2-CD1 3.68Å; I236-Y333 HydrophobicContact CG2-CE1 4.15Å |
| 237 | V | 98.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.9 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | L305 P308 F313 L332 Y333 I334 S335 | V237-L305 WeakPolarHBondContact CA-O 3.19Å; V237-L305 HydrophobicContact CG2-CB 4.2Å; V237-L305 HydrophobicContact CG2-CD1 4.23Å; V237-P308 HydrophobicContact CG1-CG 3.81Å; V237-F313 HydrophobicContact CG2-CD2 4.2Å; V237-L332 HydrophobicContact CG2-CD1 4.14Å; V237-Y333 PolarHBondContact N-O 3.32Å; V237-I334 HydrophobicContact CB-CG1 4.24Å; V237-I334 HydrophobicContact CG2-CG1 4.36Å; V237-S335 PolarHBondContact O-N 2.94Å |
| 238 | G | 97.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 115.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L305 K307 S335 | G238-L305 PolarHBondContact N-O 3.03Å; G238-K307 PolarHBondContact O-N 2.93Å; G238-S335 CarbonylContact C-O 3.54Å; G238-S335 WeakPolarHBondContact CA-O 3.36Å |
| 239 | N | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 29.5 | 179.6 | -158.7 | 32.9 | 0 | 0 | 0 | 112.9 | K307 S335 A336 V363 T364 | N239-K307 VanDerWaalsContact OD1-CA 3.29Å; N239-K307 WeakPolarHBondContact OD1-CA 3.48Å; N239-K307 WeakPolarHBondContact OD1-CB 3.32Å; N239-K307 WeakPolarHBondContact OD1-CG 3.45Å; N239-S335 PolarHBondContact N-O 3.25Å; N239-A336 HydrophobicContact CB-CB 3.97Å; N239-V363 VanDerWaalsContact ND2-C 3.3Å; N239-V363 PolarHBondContact ND2-O 3.33Å; N239-T364 VanDerWaalsContact ND2-CA 3.28Å; N239-T364 WeakPolarHBondContact ND2-CA 3.4Å |
| 240 | C | 92.5 | Very high | 94.4 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | trans | -76.3 | 126.3 | 163.8 | -72.1 | 0 | 0 | 0 | 0 | 109.3 | Q243 D337 | C240-Q243 HydrophobicContact CB-CB 3.95Å; C240-D337 WeakPolarHBondContact CA-OD2 3.42Å | ||
| 241 | Y | 83.7 | Confident | 94.6 | Very high | 48 Ų | 48 | 27.8 Ų | 27.8 | 19% | 0.188 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -43.5 | -171.6 | -72.6 | -69.8 | 0 | 0 | 0 | 113.5 | D337 V363 Y372 | Y241-D337 WeakPolarHBondContact CD2-OD2 3.13Å; Y241-D337 PolarHBondContact N-OD2 3.01Å; Y241-V363 HydrophobicContact CE2-CG1 3.72Å; Y241-V363 HydrophobicContact CE2-CG2 4.2Å; Y241-V363 WeakPolarHBondContact OH-CG2 3.45Å; Y241-Y372 HydrophobicContact CD1-CD1 4.43Å; Y241-Y372 HydrophobicContact CD1-CE1 4.39Å; Y241-Y372 HydrophobicContact CD1-CE2 4.48Å; Y241-Y372 HydrophobicContact CD1-CG 4.5Å; Y241-Y372 AromaticContact CE1-CD1 3.68Å; Y241-Y372 HydrophobicContact CE1-CD1 3.68Å; Y241-Y372 HydrophobicContact CE1-CD2 4.24Å; Y241-Y372 AromaticContact CE1-CE1 3.32Å; Y241-Y372 HydrophobicContact CE1-CE1 3.32Å; Y241-Y372 AromaticContact CE1-CE2 3.93Å; Y241-Y372 HydrophobicContact CE1-CE2 3.93Å; Y241-Y372 HydrophobicContact CE1-CG 4.12Å; Y241-Y372 AromaticContact CE1-CZ 3.43Å; Y241-Y372 VanDerWaalsContact CE1-CZ 3.43Å; Y241-Y372 HydrophobicContact CE2-CD1 4.49Å; Y241-Y372 AromaticContact CZ-CD1 3.72Å; Y241-Y372 AromaticContact CZ-CE1 3.42Å; Y241-Y372 VanDerWaalsContact CZ-CE1 3.42Å; Y241-Y372 WeakPolarHBondContact OH-CE1 3.29Å |
| 242 | D | 89.4 | Confident | 94.7 | Very high | 142 Ų | 142 | 27.7 Ų | 27.7 | 76% | 0.759 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 12.5 | -171.1 | -60.8 | -27.3 | 0 | 0 | 0 | 113.3 | H441 | D242-H441 WeakPolarHBondContact O-CA 3.48Å; D242-H441 WeakPolarHBondContact O-CB 3.5Å |
| 243 | Q | 94.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -82.4 | 133.1 | -179.9 | -165.4 | 172.3 | 98.9 | 0 | 0 | 111.2 | C240 R245 S250 D252 | C240-Q243 HydrophobicContact CB-CB 3.95Å; Q243-R245 PolarHBondContact O-N 2.97Å; Q243-S250 PolarHBondContact OE1-OG 3.21Å; Q243-D252 PolarHBondContact NE2-OD2 3.42Å; Q243-D252 VanDerWaalsContact OE1-CB 3.25Å; Q243-D252 VanDerWaalsContact OE1-N 3.11Å |
| 244 | I | 96.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | trans | -52.5 | 134.6 | 172.1 | -68.1 | 167.5 | 0 | 0 | 0 | 109.3 | D189 F190 S250 L251 H441 R442 | D189-I244 HydrophobicContact CB-CD1 4.35Å; D189-I244 HydrophobicContact CB-CG1 4.38Å; D189-I244 HydrophobicContact CB-CG2 4.05Å; F190-I244 HydrophobicContact CB-CG2 4.12Å; F190-I244 HydrophobicContact CD2-CG2 4.22Å; I244-S250 WeakPolarHBondContact O-CA 3.49Å; I244-L251 HydrophobicContact CB-CD1 3.8Å; I244-L251 HydrophobicContact CB-CG 4.28Å; I244-L251 HydrophobicContact CD1-CD1 4.29Å; I244-L251 HydrophobicContact CG2-CD1 4.05Å; I244-L251 HydrophobicContact CG2-CG 4.26Å; I244-L251 PolarHBondContact O-N 3.11Å; I244-L251 VanDerWaalsContact O-N 3.11Å; I244-H441 WeakPolarHBondContact CG1-O 3.32Å; I244-H441 PolarHBondContact N-O 2.73Å; I244-R442 HydrophobicContact CD1-CG 4.07Å | ||
| 245 | R | 95.2 | Very high | 94.8 | Very high | 84 Ų | 84 | 26.8 Ų | 26.8 | 32% | 0.317 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 152.7 | -178.5 | 58.3 | 124.6 | 178.5 | 113.3 | 13.7 | 111.6 | E186 Q243 L249 Y306 | E186-R245 IonicContact OE1-CZ 2.67Å; E186-R245 IonicContact OE1-NH1 3.29Å; E186-R245 PolarHBondContact OE1-NH1 2.76Å; E186-R245 IonicContact OE1-NH2 3.64Å; E186-R245 PolarHBondContact OE1-NH2 3.18Å; E186-R245 IonicContact OE2-CZ 3.09Å; E186-R245 IonicContact OE2-NH1 3.86Å; E186-R245 PolarHBondContact OE2-NH1 3.38Å; Q243-R245 PolarHBondContact O-N 2.97Å; R245-L249 WeakPolarHBondContact CA-O 3.41Å; R245-L249 WeakPolarHBondContact CB-O 3.3Å; R245-Y306 HydrophobicContact CB-CE2 4.47Å; R245-Y306 WeakPolarHBondContact CD-OH 3.47Å; R245-Y306 PolarHBondContact NE-OH 3.44Å; R245-Y306 VanDerWaalsContact NE-OH 3.13Å |
| 246 | F | 94.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 133.1 | 171 | 171.7 | -121.4 | 0 | 0 | 0 | 109 | I142 L143 L146 V183 M187 F190 E248 L249 | I142-F246 HydrophobicContact CG2-CE1 4.24Å; L143-F246 HydrophobicContact CB-CE1 3.96Å; L143-F246 HydrophobicContact CD1-CD1 4.27Å; L143-F246 HydrophobicContact CD1-CE1 4.2Å; L146-F246 HydrophobicContact CD1-CD1 3.72Å; L146-F246 HydrophobicContact CD1-CE1 3.98Å; V183-F246 HydrophobicContact CG1-CE2 4.33Å; M187-F246 HydrophobicContact CE-CE1 4.49Å; M187-F246 HydrophobicContact CE-CE2 3.43Å; M187-F246 VanDerWaalsContact CE-CE2 3.43Å; M187-F246 HydrophobicContact CE-CZ 3.39Å; M187-F246 HydrophobicContact CG-CD1 4.5Å; M187-F246 HydrophobicContact CG-CD2 3.62Å; M187-F246 HydrophobicContact CG-CE1 4.25Å; M187-F246 HydrophobicContact CG-CE2 3.35Å; M187-F246 HydrophobicContact CG-CG 4.22Å; M187-F246 HydrophobicContact CG-CZ 3.71Å; M187-F246 HydrophobicContact SD-CE2 4.23Å; M187-F246 HydrophobicContact SD-CZ 4.32Å; F190-F246 HydrophobicContact CB-CB 3.9Å; F190-F246 HydrophobicContact CD2-CB 3.67Å; F190-F246 HydrophobicContact CE2-CB 4.32Å; F190-F246 HydrophobicContact CG-CB 3.8Å; F246-E248 PolarHBondContact O-N 3.44Å; F246-L249 PolarHBondContact N-O 3.33Å; F246-L249 WeakPolarHBondContact O-CB 3.44Å; F246-L249 PolarHBondContact O-N 3.4Å |
| 247 | S | 92.5 | Very high | 94.6 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 46% | 0.455 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 47.1 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 113.8 | L249 | S247-L249 PolarHBondContact O-N 2.94Š|
| 248 | E | 92 | Very high | 94.4 | Very high | 140 Ų | 140 | 26.7 Ų | 26.7 | 65% | 0.654 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 23.7 | -177.9 | -56 | 179.3 | 158.1 | 0 | 0 | 113.8 | F246 Y306 | F246-E248 PolarHBondContact O-N 3.44Å; E248-Y306 HydrophobicContact CB-CD1 3.65Å; E248-Y306 HydrophobicContact CB-CE1 4.36Å; E248-Y306 HydrophobicContact CB-CG 3.96Å; E248-Y306 HydrophobicContact CG-CD1 3.93Å; E248-Y306 HydrophobicContact CG-CE1 4.38Å; E248-Y306 WeakPolarHBondContact O-CB 3.5Å; E248-Y306 VanDerWaalsContact O-CG 3.3Å |
| 249 | L | 94.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.3 | 173.9 | -166.5 | 71.7 | 0 | 0 | 0 | 108.4 | L147 F190 R245 F246 S247 M253 Y254 L304 | L147-L249 HydrophobicContact CD2-CD2 4.27Å; F190-L249 WeakPolarHBondContact CE2-O 3.32Å; R245-L249 WeakPolarHBondContact CA-O 3.41Å; R245-L249 WeakPolarHBondContact CB-O 3.3Å; F246-L249 PolarHBondContact N-O 3.33Å; F246-L249 WeakPolarHBondContact O-CB 3.44Å; F246-L249 PolarHBondContact O-N 3.4Å; S247-L249 PolarHBondContact O-N 2.94Å; L249-M253 HydrophobicContact CD1-CB 3.51Å; L249-M253 HydrophobicContact CD1-CE 4.3Å; L249-M253 HydrophobicContact CG-CB 4.16Å; L249-Y254 HydrophobicContact CD2-CD2 3.9Å; L249-Y254 HydrophobicContact CD2-CG 4.31Å; L249-L304 HydrophobicContact CD1-CD1 4.2Å |
| 250 | S | 96.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 160.6 | 171.4 | 83.9 | 0 | 0 | 0 | 0 | 110.7 | Q243 I244 D252 M253 Y254 | Q243-S250 PolarHBondContact OE1-OG 3.21Å; I244-S250 WeakPolarHBondContact O-CA 3.49Å; S250-D252 PolarHBondContact O-N 3.18Å; S250-M253 PolarHBondContact O-N 2.94Å; S250-M253 VanDerWaalsContact O-N 3.14Å; S250-M253 WeakPolarHBondContact OG-CG 3.49Å; S250-M253 PolarHBondContact OG-N 2.92Å; S250-Y254 WeakPolarHBondContact O-CB 3.39Å; S250-Y254 PolarHBondContact O-N 3.2Å |
| 251 | L | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.5 | -38 | 177.7 | -79.4 | 171.9 | 0 | 0 | 0 | 112.6 | F190 N194 I244 Y254 R255 R442 | F190-L251 HydrophobicContact CD1-CD2 4.37Å; F190-L251 HydrophobicContact CD2-CD2 4.01Å; F190-L251 HydrophobicContact CD2-CG 4.29Å; F190-L251 HydrophobicContact CE1-CD2 4.2Å; F190-L251 HydrophobicContact CE2-CD2 3.84Å; F190-L251 HydrophobicContact CE2-CG 4.19Å; F190-L251 HydrophobicContact CG-CD2 4.28Å; F190-L251 HydrophobicContact CZ-CD2 3.95Å; N194-L251 HydrophobicContact CB-CD2 4.07Å; I244-L251 HydrophobicContact CB-CD1 3.8Å; I244-L251 HydrophobicContact CB-CG 4.28Å; I244-L251 HydrophobicContact CD1-CD1 4.29Å; I244-L251 HydrophobicContact CG2-CD1 4.05Å; I244-L251 HydrophobicContact CG2-CG 4.26Å; I244-L251 PolarHBondContact O-N 3.11Å; I244-L251 VanDerWaalsContact O-N 3.11Å; L251-Y254 WeakPolarHBondContact O-CB 3.09Å; L251-Y254 PolarHBondContact O-N 3.22Å; L251-R255 WeakPolarHBondContact O-CD 3.39Å; L251-R255 WeakPolarHBondContact O-CG 3.45Å; L251-R255 PolarHBondContact O-N 3.48Å; L251-R442 HydrophobicContact CD1-CB 4.43Å; L251-R442 WeakPolarHBondContact CD1-O 3.33Å |
| 252 | D | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 176.1 | -79.6 | -3.3 | 0 | 0 | 0 | 112.4 | Q243 S250 Y254 R255 M256 Y333 S335 G443 N444 T447 | Q243-D252 PolarHBondContact NE2-OD2 3.42Å; Q243-D252 VanDerWaalsContact OE1-CB 3.25Å; Q243-D252 VanDerWaalsContact OE1-N 3.11Å; S250-D252 PolarHBondContact O-N 3.18Å; D252-Y254 VanDerWaalsContact C-N 3.28Å; D252-Y254 PolarHBondContact O-N 2.83Å; D252-R255 PolarHBondContact O-N 3.31Å; D252-R255 IonicContact OD1-NH1 2.71Å; D252-M256 WeakPolarHBondContact O-CG 3.44Å; D252-M256 PolarHBondContact O-N 3.33Å; D252-Y333 WeakPolarHBondContact CB-OH 3.3Å; D252-S335 PolarHBondContact OD2-OG 2.95Å; D252-G443 VanDerWaalsContact OD1-CA 3.27Å; D252-G443 WeakPolarHBondContact OD1-CA 3.44Å; D252-N444 PolarHBondContact OD1-N 3.03Å; D252-N444 PolarHBondContact OD2-N 2.9Å; D252-N444 PolarHBondContact OD2-ND2 3.36Å; D252-T447 HydrophobicContact CB-CG2 3.98Å |
| 253 | M | 97.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 174.8 | -64.1 | 176.6 | 74.4 | 0 | 0 | 111.1 | I236 L249 S250 R255 M256 L257 L304 Y306 | I236-M253 HydrophobicContact CG2-CB 3.98Å; I236-M253 HydrophobicContact CG2-CG 3.94Å; L249-M253 HydrophobicContact CD1-CB 3.51Å; L249-M253 HydrophobicContact CD1-CE 4.3Å; L249-M253 HydrophobicContact CG-CB 4.16Å; S250-M253 PolarHBondContact O-N 2.94Å; S250-M253 VanDerWaalsContact O-N 3.14Å; S250-M253 WeakPolarHBondContact OG-CG 3.49Å; S250-M253 PolarHBondContact OG-N 2.92Å; M253-R255 PolarHBondContact O-N 2.89Å; M253-M256 PolarHBondContact O-N 2.95Å; M253-L257 WeakPolarHBondContact O-CB 3.41Å; M253-L257 PolarHBondContact O-N 2.71Å; M253-L304 HydrophobicContact CE-CB 4Å; M253-L304 HydrophobicContact CE-CD2 4.48Å; M253-Y306 HydrophobicContact SD-CD2 4Å |
| 254 | Y | 95.6 | Very high | 93 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62 | -40.2 | 176.9 | 170.4 | -101.3 | 0 | 0 | 0 | 113.1 | L146 L147 F190 L249 S250 L251 D252 Q258 | L146-Y254 HydrophobicContact CB-CE2 4.46Å; L146-Y254 WeakPolarHBondContact O-CE2 3.25Å; L146-Y254 PolarHBondContact O-OH 3.09Å; L147-Y254 HydrophobicContact CD2-CD2 4.14Å; L147-Y254 HydrophobicContact CD2-CE2 4.24Å; F190-Y254 HydrophobicContact CE1-CD1 4.3Å; F190-Y254 HydrophobicContact CE1-CD2 4.16Å; F190-Y254 HydrophobicContact CE1-CE2 4.38Å; F190-Y254 HydrophobicContact CE1-CG 4.11Å; F190-Y254 HydrophobicContact CZ-CD1 4.1Å; F190-Y254 AromaticContact CZ-CD2 3.92Å; F190-Y254 HydrophobicContact CZ-CD2 3.92Å; F190-Y254 AromaticContact CZ-CG 3.64Å; F190-Y254 HydrophobicContact CZ-CG 3.64Å; L249-Y254 HydrophobicContact CD2-CD2 3.9Å; L249-Y254 HydrophobicContact CD2-CG 4.31Å; S250-Y254 WeakPolarHBondContact O-CB 3.39Å; S250-Y254 PolarHBondContact O-N 3.2Å; L251-Y254 WeakPolarHBondContact O-CB 3.09Å; L251-Y254 PolarHBondContact O-N 3.22Å; D252-Y254 VanDerWaalsContact C-N 3.28Å; D252-Y254 PolarHBondContact O-N 2.83Å; Y254-Q258 VanDerWaalsContact CE2-NE2 3.34Å; Y254-Q258 PolarHBondContact O-N 3.4Å; Y254-Q258 PolarHBondContact O-NE2 3.23Å; Y254-Q258 VanDerWaalsContact O-NE2 3.13Å; Y254-Q258 PolarHBondContact OH-NE2 3.06Å |
| 255 | R | 95.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.3 | -53.4 | 175.7 | -73.3 | 167.5 | -174 | 172.1 | 5.9 | 110.7 | L251 D252 M253 L257 Q258 T259 R442 T447 H451 | L251-R255 WeakPolarHBondContact O-CD 3.39Å; L251-R255 WeakPolarHBondContact O-CG 3.45Å; L251-R255 PolarHBondContact O-N 3.48Å; D252-R255 PolarHBondContact O-N 3.31Å; D252-R255 IonicContact OD1-NH1 2.71Å; M253-R255 PolarHBondContact O-N 2.89Å; R255-L257 VanDerWaalsContact C-N 3.32Å; R255-L257 PolarHBondContact O-N 3.14Å; R255-Q258 PolarHBondContact O-N 3.11Å; R255-T259 PolarHBondContact O-N 3.2Å; R255-T259 PolarHBondContact O-OG1 3.07Å; R255-R442 PolarHBondContact NH2-O 3.42Å; R255-T447 HydrophobicContact CB-CG2 4.34Å; R255-H451 HydrophobicContact CB-CB 3.91Å; R255-H451 HydrophobicContact CG-CB 4.47Å; R255-H451 PolarHBondContact O-CE1 2.74Å; R255-H451 PolarHBondContact O-ND1 2.73Å |
| 256 | M | 97.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68 | -32.9 | -177.3 | -64.8 | -48.7 | -62.7 | 0 | 0 | 112.8 | I236 D252 M253 Q258 T259 F260 Y333 I403 T447 L450 I511 | I236-M256 HydrophobicContact CD1-CB 4.18Å; I236-M256 HydrophobicContact CG2-CB 4.35Å; D252-M256 WeakPolarHBondContact O-CG 3.44Å; D252-M256 PolarHBondContact O-N 3.33Å; M253-M256 PolarHBondContact O-N 2.95Å; M256-Q258 VanDerWaalsContact C-N 3.28Å; M256-Q258 PolarHBondContact O-N 2.8Å; M256-T259 HydrophobicContact CE-CG2 4.28Å; M256-T259 PolarHBondContact O-N 3.39Å; M256-F260 HydrophobicContact CB-CE2 4.33Å; M256-F260 HydrophobicContact CE-CD2 4.37Å; M256-F260 HydrophobicContact CE-CE2 3.39Å; M256-F260 HydrophobicContact CE-CZ 3.51Å; M256-F260 WeakPolarHBondContact O-CD2 3.38Å; M256-F260 PolarHBondContact O-N 3.39Å; M256-Y333 HydrophobicContact CB-CD1 4.2Å; M256-Y333 HydrophobicContact CB-CE1 4.22Å; M256-Y333 HydrophobicContact CB-CG 4.41Å; M256-Y333 HydrophobicContact CE-CD2 4.14Å; M256-Y333 HydrophobicContact CE-CE2 4.45Å; M256-Y333 HydrophobicContact CG-CD1 3.95Å; M256-Y333 HydrophobicContact CG-CD2 3.82Å; M256-Y333 HydrophobicContact CG-CE1 3.66Å; M256-Y333 HydrophobicContact CG-CE2 3.55Å; M256-Y333 HydrophobicContact CG-CG 4Å; M256-Y333 VanDerWaalsContact CG-CZ 3.44Å; M256-Y333 HydrophobicContact SD-CD2 4.41Å; M256-Y333 HydrophobicContact SD-CE2 4.15Å; M256-I403 HydrophobicContact CE-CD1 4.44Å; M256-T447 HydrophobicContact CG-CG2 3.93Å; M256-T447 HydrophobicContact SD-CG2 3.95Å; M256-L450 HydrophobicContact SD-CB 4.47Å; M256-I511 HydrophobicContact CE-CD1 4.07Å |
| 257 | L | 95.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.3 | -49.5 | 172 | 174.7 | 68.2 | 0 | 0 | 0 | 110.2 | L147 I236 M253 R255 E261 K302 L304 | L147-L257 HydrophobicContact CD2-CD2 3.49Å; L147-L257 VanDerWaalsContact CD2-CD2 3.49Å; I236-L257 HydrophobicContact CD1-CB 4.26Å; M253-L257 WeakPolarHBondContact O-CB 3.41Å; M253-L257 PolarHBondContact O-N 2.71Å; R255-L257 VanDerWaalsContact C-N 3.32Å; R255-L257 PolarHBondContact O-N 3.14Å; L257-E261 WeakPolarHBondContact O-CG 3.39Å; L257-K302 HydrophobicContact CD1-CD 3.54Å; L257-K302 PolarHBondContact O-NZ 2.89Å; L257-L304 HydrophobicContact CD1-CD1 4.38Å; L257-L304 HydrophobicContact CD1-CD2 4.16Å |
| 258 | Q | 92.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.1 | -32.3 | -179.9 | -69.8 | 175.3 | 77.8 | 0 | 0 | 113.5 | Y208 Y254 R255 M256 F260 E261 | Y208-Q258 PolarHBondContact OH-OE1 2.93Å; Y254-Q258 VanDerWaalsContact CE2-NE2 3.34Å; Y254-Q258 PolarHBondContact O-N 3.4Å; Y254-Q258 PolarHBondContact O-NE2 3.23Å; Y254-Q258 VanDerWaalsContact O-NE2 3.13Å; Y254-Q258 PolarHBondContact OH-NE2 3.06Å; R255-Q258 PolarHBondContact O-N 3.11Å; M256-Q258 VanDerWaalsContact C-N 3.28Å; M256-Q258 PolarHBondContact O-N 2.8Å; Q258-F260 PolarHBondContact O-N 2.97Å; Q258-E261 PolarHBondContact O-N 3.14Å |
| 259 | T | 94.5 | Very high | 82.3 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.5 | -35.1 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | R255 M256 E261 H451 I511 | R255-T259 PolarHBondContact O-N 3.2Å; R255-T259 PolarHBondContact O-OG1 3.07Å; M256-T259 HydrophobicContact CE-CG2 4.28Å; M256-T259 PolarHBondContact O-N 3.39Å; T259-E261 VanDerWaalsContact C-N 3.32Å; T259-E261 PolarHBondContact O-N 3.27Å; T259-H451 WeakPolarHBondContact OG1-CA 3.46Å; T259-H451 PolarHBondContact OG1-ND1 3.46Å; T259-I511 HydrophobicContact CG2-CD1 3.67Å |
| 260 | F | 94.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 38.4 | 178.8 | -57.8 | -57.5 | 0 | 0 | 0 | 112.7 | L231 V234 I236 M256 Q258 P300 K302 L331 I403 F507 I511 | L231-F260 HydrophobicContact CD2-CD1 4.01Å; L231-F260 HydrophobicContact CD2-CE1 4.28Å; V234-F260 HydrophobicContact CG1-CD2 3.77Å; V234-F260 HydrophobicContact CG1-CE2 4.06Å; V234-F260 HydrophobicContact CG1-CG 4.36Å; V234-F260 HydrophobicContact CG2-CG 4.33Å; I236-F260 HydrophobicContact CD1-CD2 4.39Å; M256-F260 HydrophobicContact CB-CE2 4.33Å; M256-F260 HydrophobicContact CE-CD2 4.37Å; M256-F260 HydrophobicContact CE-CE2 3.39Å; M256-F260 HydrophobicContact CE-CZ 3.51Å; M256-F260 WeakPolarHBondContact O-CD2 3.38Å; M256-F260 PolarHBondContact O-N 3.39Å; Q258-F260 PolarHBondContact O-N 2.97Å; F260-P300 HydrophobicContact CB-CG 4.37Å; F260-K302 WeakPolarHBondContact O-CE 3.05Å; F260-K302 PolarHBondContact O-NZ 3.17Å; F260-K302 VanDerWaalsContact O-NZ 3.13Å; F260-L331 HydrophobicContact CE1-CD1 3.68Å; F260-L331 HydrophobicContact CE1-CD2 4.42Å; F260-L331 HydrophobicContact CE2-CD1 4.41Å; F260-L331 HydrophobicContact CE2-CD2 3.71Å; F260-L331 HydrophobicContact CZ-CD1 3.49Å; F260-L331 VanDerWaalsContact CZ-CD1 3.49Å; F260-L331 HydrophobicContact CZ-CD2 3.59Å; F260-L331 HydrophobicContact CZ-CG 4.22Å; F260-I403 HydrophobicContact CZ-CD1 4.5Å; F260-F507 VanDerWaalsContact C-CE1 3.49Å; F260-F507 HydrophobicContact CD1-CB 4.29Å; F260-F507 HydrophobicContact CD1-CD1 4.16Å; F260-F507 HydrophobicContact CD1-CG 4.45Å; F260-I511 HydrophobicContact CE1-CD1 4.18Å; F260-I511 HydrophobicContact CE1-CG1 3.86Å; F260-I511 HydrophobicContact CZ-CD1 4.18Å; F260-I511 HydrophobicContact CZ-CG1 4.19Å |
| 261 | E | 93.3 | Very high | 76.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -127.5 | 140.2 | 172.8 | -64.2 | 176.6 | 168.7 | 0 | 0 | 110.5 | Y94 R212 L213 L257 Q258 T259 K302 | Y94-E261 WeakPolarHBondContact CE2-OE1 3.44Å; Y94-E261 VanDerWaalsContact CZ-OE1 3.28Å; Y94-E261 PolarHBondContact OH-OE1 3.41Å; R212-E261 CarbonylContact C-O 3.54Å; R212-E261 WeakPolarHBondContact CA-O 3.38Å; R212-E261 WeakPolarHBondContact CB-O 3.45Å; R212-E261 HydrophobicContact CG-CB 4.04Å; R212-E261 IonicContact CZ-OE2 3.89Å; R212-E261 IonicContact NE-OE2 3.36Å; R212-E261 PolarHBondContact NE-OE2 3.43Å; R212-E261 IonicContact NH2-OE2 3.47Å; R212-E261 PolarHBondContact NH2-OE2 3.41Å; L213-E261 PolarHBondContact N-O 2.94Å; L257-E261 WeakPolarHBondContact O-CG 3.39Å; Q258-E261 PolarHBondContact O-N 3.14Å; T259-E261 VanDerWaalsContact C-N 3.32Å; T259-E261 PolarHBondContact O-N 3.27Å; E261-K302 IonicContact OE1-NZ 3.39Å; E261-K302 PolarHBondContact OE1-NZ 3.06Å | ||
| 262 | R | 89.8 | Confident | 73.6 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 142.8 | 165.1 | -69.5 | 178 | -175.4 | -82.4 | -3.3 | 110.7 | L213 P264 N299 D506 F507 | L213-R262 HydrophobicContact CB-CG 4.47Å; L213-R262 HydrophobicContact CD2-CG 4.22Å; L213-R262 CarbonylContact O-C 3.58Å; L213-R262 WeakPolarHBondContact O-CA 3.44Å; R262-P264 WeakPolarHBondContact O-CD 3.33Å; R262-N299 WeakPolarHBondContact CB-OD1 3.43Å; R262-N299 WeakPolarHBondContact CG-OD1 3.09Å; R262-N299 PolarHBondContact N-OD1 2.95Å; R262-D506 IonicContact CZ-OD2 3.51Å; R262-D506 IonicContact NH1-OD2 3.37Å; R262-D506 PolarHBondContact NH1-OD2 2.97Å; R262-D506 IonicContact NH2-OD2 2.79Å; R262-D506 PolarHBondContact NH2-OD2 3.43Å; R262-F507 HydrophobicContact CG-CE2 4.35Å; R262-F507 HydrophobicContact CG-CZ 3.79Å |
| 263 | D | 81 | Confident | 70.6 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | trans | -76.2 | 121 | 170.1 | -162.2 | -42.4 | 0 | 0 | 0 | 110 | S210 R212 L213 N214 R265 G266 | S210-D263 WeakPolarHBondContact CB-OD2 3.45Å; S210-D263 PolarHBondContact OG-OD2 3.17Å; R212-D263 HydrophobicContact CB-CB 4.06Å; L213-D263 PolarHBondContact O-N 3.48Å; N214-D263 HydrophobicContact CB-CB 4.07Å; D263-R265 PolarHBondContact O-N 2.8Å; D263-R265 VanDerWaalsContact OD1-CB 3.31Å; D263-R265 WeakPolarHBondContact OD1-CB 3.16Å; D263-R265 PolarHBondContact OD1-N 3.28Å; D263-G266 PolarHBondContact O-N 3.29Å | ||
| 264 | P | 71.1 | Confident | 67.4 | Low | 59 Ų | 59 | 58.3 Ų | 58.3 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.3 | -33.8 | 176.8 | -21.7 | 30.6 | 0 | 0 | 0 | 112.4 | L100 R262 G266 Q267 | L100-P264 HydrophobicContact CB-CG 3.73Å; L100-P264 HydrophobicContact CD1-CG 3.69Å; L100-P264 HydrophobicContact CG-CG 4.23Å; R262-P264 WeakPolarHBondContact O-CD 3.33Å; P264-G266 VanDerWaalsContact C-N 3.26Å; P264-G266 PolarHBondContact O-N 2.78Å; P264-Q267 PolarHBondContact O-N 3.17Å |
| 265 | R | 62 | Low | 64 | Low | 192 Ų | 192 | 69.1 Ų | 69.1 | 73% | 0.725 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -71.4 | -24.4 | -178.6 | -59.4 | 177.4 | 178.2 | 176 | -0.7 | 112.1 | D263 Q267 V268 | D263-R265 PolarHBondContact O-N 2.8Å; D263-R265 VanDerWaalsContact OD1-CB 3.31Å; D263-R265 WeakPolarHBondContact OD1-CB 3.16Å; D263-R265 PolarHBondContact OD1-N 3.28Å; R265-Q267 VanDerWaalsContact C-N 3.31Å; R265-Q267 PolarHBondContact O-N 2.89Å; R265-V268 PolarHBondContact O-N 3.35Å |
| 266 | G | 53.5 | Low | 60.8 | Low | 11 Ų | 11 | 76.9 Ų | 76.9 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.4 | -29.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D263 P264 | D263-G266 PolarHBondContact O-N 3.29Å; P264-G266 VanDerWaalsContact C-N 3.26Å; P264-G266 PolarHBondContact O-N 2.78Å |
| 267 | Q | 48.6 | Very low | 57.4 | Low | 102 Ų | 102 | 84.5 Ų | 84.5 | 48% | 0.477 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.3 | -32.1 | 178.6 | -63.4 | -171.7 | 13.8 | 0 | 0 | 112.2 | P264 R265 F269 N270 S271 | P264-Q267 PolarHBondContact O-N 3.17Å; R265-Q267 VanDerWaalsContact C-N 3.31Å; R265-Q267 PolarHBondContact O-N 2.89Å; Q267-F269 PolarHBondContact O-N 3.4Å; Q267-N270 PolarHBondContact O-N 2.82Å; Q267-N270 VanDerWaalsContact O-N 3.08Å; Q267-S271 PolarHBondContact O-N 3.46Å |
| 268 | V | 41.8 | Very low | 54.2 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.2 | -29.6 | -179.7 | -170.4 | 0 | 0 | 0 | 0 | 112 | R265 S271 R272 | R265-V268 PolarHBondContact O-N 3.35Å; V268-S271 PolarHBondContact O-N 2.99Å; V268-R272 PolarHBondContact O-N 3.26Å |
| 269 | F | 39.5 | Very low | 51.1 | Low | 122 Ų | 122 | 95.7 Ų | 95.7 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -32.6 | 175.7 | -78.2 | -80.6 | 0 | 0 | 0 | 112.9 | Q267 R272 | Q267-F269 PolarHBondContact O-N 3.4Å; F269-R272 PolarHBondContact O-N 3.46Å |
| 270 | N | 37.4 | Very low | 47.9 | Very low | 104 Ų | 104 | 103.9 Ų | 103.9 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.4 | -38.6 | 171.6 | -80.9 | -4.4 | 0 | 0 | 0 | 111.3 | Q267 R272 N273 | Q267-N270 PolarHBondContact O-N 2.82Å; Q267-N270 VanDerWaalsContact O-N 3.08Å; N270-R272 VanDerWaalsContact C-N 3.33Å; N270-R272 PolarHBondContact O-N 3.42Å; N270-N273 PolarHBondContact O-N 2.95Å |
| 271 | S | 34.4 | Very low | 44.6 | Very low | 73 Ų | 73 | 106.7 Ų | 106.7 | 51% | 0.51 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.6 | -19.6 | 176.6 | -72.7 | 0 | 0 | 0 | 0 | 114.4 | Q267 V268 N273 S274 | Q267-S271 PolarHBondContact O-N 3.46Å; V268-S271 PolarHBondContact O-N 2.99Å; S271-N273 PolarHBondContact O-N 3.04Å; S271-S274 WeakPolarHBondContact CA-OG 3.46Å; S271-S274 CarbonylContact O-C 3.44Å; S271-S274 VanDerWaalsContact O-C 3.25Å; S271-S274 WeakPolarHBondContact O-CA 3.32Å; S271-S274 PolarHBondContact O-N 3.09Å; S271-S274 PolarHBondContact O-OG 2.88Å |
| 272 | R | 32.9 | Very low | 41.7 | Very low | 175 Ų | 175 | 113.7 Ų | 113.7 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -20.2 | 174.2 | -85.7 | -176.1 | 171.2 | -175.9 | -1.8 | 113.5 | V268 F269 N270 S274 | V268-R272 PolarHBondContact O-N 3.26Å; F269-R272 PolarHBondContact O-N 3.46Å; N270-R272 VanDerWaalsContact C-N 3.33Å; N270-R272 PolarHBondContact O-N 3.42Å; R272-S274 VanDerWaalsContact C-N 3.29Å |
| 273 | N | 34.2 | Very low | 38.7 | Very low | 155 Ų | 155 | 120.2 Ų | 120.2 | 83% | 0.829 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -12.4 | 168.5 | -75.9 | -12.8 | 0 | 0 | 0 | 112.9 | N270 S271 | N270-N273 PolarHBondContact O-N 2.95Å; S271-N273 PolarHBondContact O-N 3.04Å |
| 274 | S | 30.2 | Very low | 36.2 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -104.8 | 76.4 | 166.6 | 66.1 | 0 | 0 | 0 | 0 | 109.7 | S271 R272 L276 | S271-S274 WeakPolarHBondContact CA-OG 3.46Å; S271-S274 CarbonylContact O-C 3.44Å; S271-S274 VanDerWaalsContact O-C 3.25Å; S271-S274 WeakPolarHBondContact O-CA 3.32Å; S271-S274 PolarHBondContact O-N 3.09Å; S271-S274 PolarHBondContact O-OG 2.88Å; R272-S274 VanDerWaalsContact C-N 3.29Å; S274-L276 PolarHBondContact O-N 2.98Å |
| 275 | R | 24.9 | Very low | 34.3 | Very low | 230 Ų | 230 | 126.2 Ų | 126.2 | 87% | 0.868 | 68% | 0.681 | S | S | * | * | trans | -65.1 | 96.3 | 173.1 | -70.4 | -176.9 | -176.3 | 174.1 | 1 | 110.7 | ||||
| 276 | L | 28.6 | Very low | 32.7 | Very low | 165 Ų | 165 | 123 Ų | 123 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | trans | -142.5 | 125.7 | 146.4 | -78.3 | 177.7 | 0 | 0 | 0 | 109.7 | S274 | S274-L276 PolarHBondContact O-N 2.98Š| ||
| 277 | N | 25.4 | Very low | 31.5 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | trans | -63 | 133.9 | -174.3 | -60 | -53.4 | 0 | 0 | 0 | 112.5 | ||||
| 278 | V | 28.2 | Very low | 30.6 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | trans | -139.5 | 125.1 | 146.5 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 279 | A | 26.5 | Very low | 29.8 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -63 | 133.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G281 | A279-G281 PolarHBondContact O-N 2.84Š| ||
| 280 | D | 28.2 | Very low | 29.4 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | trans | -81 | 117.1 | 175.7 | -154.8 | 2.8 | 0 | 0 | 0 | 109.1 | ||||
| 281 | G | 24.9 | Very low | 29.1 | Very low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | trans | 176.7 | 72.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A279 | A279-G281 PolarHBondContact O-N 2.84Š| ||
| 282 | L | 33.5 | Very low | 29.1 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -143 | 96.6 | 161.6 | -95.4 | 114.4 | 0 | 0 | 0 | 111.2 | ||||
| 283 | E | 26.7 | Very low | 29.1 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -54.5 | 135.9 | 137.1 | -75 | -174.2 | 140.8 | 0 | 0 | 108.4 | ||||
| 284 | N | 28.6 | Very low | 29.2 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 86.8 | 102 | 171.7 | -49.7 | -53.8 | 0 | 0 | 0 | 115.9 | V286 | N284-V286 PolarHBondContact O-N 2.82Š|
| 285 | G | 30.6 | Very low | 29.8 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -55 | 118.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 286 | V | 28.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 133 Ų | 133 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | -148.9 | 117.2 | 145.6 | -176.6 | 0 | 0 | 0 | 0 | 106.3 | N284 S288 | N284-V286 PolarHBondContact O-N 2.82Å; V286-S288 PolarHBondContact O-N 2.85Å | ||
| 287 | S | 27.2 | Very low | 33 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 16.6 | 94.1 | 159.6 | -50.3 | 0 | 0 | 0 | 0 | 117.8 | S289 | S287-S289 PolarHBondContact O-N 2.82Š| ||
| 288 | S | 29.7 | Very low | 35.6 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 59% | 0.587 | 74% | 0.737 | S | S | * | * | trans | -77 | 107 | 155.9 | 33.9 | 0 | 0 | 0 | 0 | 108.8 | V286 Y290 | V286-S288 PolarHBondContact O-N 2.85Å; S288-Y290 WeakPolarHBondContact O-CD2 3.41Å; S288-Y290 PolarHBondContact O-N 3.37Å; S288-Y290 VanDerWaalsContact O-N 3.13Å | ||
| 289 | S | 26.1 | Very low | 38.5 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -60.7 | 105.4 | 165.8 | 48.5 | 0 | 0 | 0 | 0 | 109.4 | S287 | S287-S289 PolarHBondContact O-N 2.82Š| ||
| 290 | Y | 31.3 | Very low | 41.7 | Very low | 172 Ų | 172 | 114.5 Ų | 114.5 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | trans | -70.2 | 148.4 | 172.4 | -65.8 | -79.1 | 0 | 0 | 0 | 110.5 | S288 L292 | S288-Y290 WeakPolarHBondContact O-CD2 3.41Å; S288-Y290 PolarHBondContact O-N 3.37Å; S288-Y290 VanDerWaalsContact O-N 3.13Å; Y290-L292 PolarHBondContact O-N 2.99Å; Y290-L292 VanDerWaalsContact O-N 3.12Å | ||
| 291 | P | 29.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 106.9 Ų | 106.9 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | trans | -62.9 | 117 | 177 | -11.6 | 26.1 | 0 | 0 | 0 | 109.4 | D293 | P291-D293 PolarHBondContact O-N 2.73Š| ||
| 292 | L | 34.9 | Very low | 48 | Very low | 162 Ų | 162 | 104.2 Ų | 104.2 | 85% | 0.848 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 109.4 | 163.8 | -72.4 | 144.3 | 0 | 0 | 0 | 107.3 | Y290 | Y290-L292 PolarHBondContact O-N 2.99Å; Y290-L292 VanDerWaalsContact O-N 3.12Å |
| 293 | D | 33.5 | Very low | 50.8 | Low | 163 Ų | 163 | 97.5 Ų | 97.5 | 87% | 0.872 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.6 | 5 | 150.3 | -89.3 | -16.2 | 0 | 0 | 0 | 115 | P291 | P291-D293 PolarHBondContact O-N 2.73Š|
| 294 | L | 36 | Very low | 54.1 | Low | 150 Ų | 150 | 91.3 Ų | 91.3 | 79% | 0.785 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -116.7 | 127.9 | 159.1 | -83.6 | 143.8 | 0 | 0 | 0 | 108.2 | E296 | L294-E296 PolarHBondContact O-N 3.3Š|
| 295 | P | 43.2 | Very low | 57.2 | Low | 109 Ų | 109 | 85.5 Ų | 85.5 | 71% | 0.708 | 50% | 0.503 | S | S | * | . | trans | -57.4 | 113.3 | 171.3 | 22.7 | -30.2 | 0 | 0 | 0 | 107.4 | V297 | P295-V297 WeakPolarHBondContact O-CG2 3.22Å; P295-V297 PolarHBondContact O-N 3.01Å | ||
| 296 | E | 54.2 | Low | 60.3 | Low | 142 Ų | 142 | 84.5 Ų | 84.5 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | trans | -57.7 | 108 | -177.1 | -166.1 | 175.1 | -168.6 | 0 | 0 | 107.4 | L294 T298 | L294-E296 PolarHBondContact O-N 3.3Å; E296-T298 VanDerWaalsContact C-N 3.32Å; E296-T298 PolarHBondContact O-N 3.25Å | ||
| 297 | V | 65.2 | Low | 63.5 | Low | 57 Ų | 57 | 80.5 Ų | 80.5 | 35% | 0.345 | 45% | 0.449 | S | S | . | . | trans | -74.4 | 93.6 | -175.9 | -170 | 0 | 0 | 0 | 0 | 107.5 | P295 | P295-V297 WeakPolarHBondContact O-CG2 3.22Å; P295-V297 PolarHBondContact O-N 3.01Å | ||
| 298 | T | 79.8 | Confident | 66.7 | Low | 83 Ų | 83 | 75 Ų | 75 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 153.5 | -176.5 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | E296 | E296-T298 VanDerWaalsContact C-N 3.32Å; E296-T298 PolarHBondContact O-N 3.25Å |
| 299 | N | 90.8 | Very high | 69.8 | Low | 30 Ų | 30 | 71.8 Ų | 71.8 | 16% | 0.16 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 148.9 | 168.3 | -73.1 | -39.2 | 0 | 0 | 0 | 110.1 | S98 R262 | S98-N299 PolarHBondContact O-ND2 3.14Å; R262-N299 WeakPolarHBondContact CB-OD1 3.43Å; R262-N299 WeakPolarHBondContact CG-OD1 3.09Å; R262-N299 PolarHBondContact N-OD1 2.95Å |
| 300 | P | 92.8 | Very high | 73.1 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 148.2 | 170.5 | 27.2 | -34.3 | 0 | 0 | 0 | 110.8 | L231 S232 V234 F260 F507 | L231-P300 HydrophobicContact CD2-CB 4.49Å; L231-P300 HydrophobicContact CD2-CG 4.18Å; L231-P300 HydrophobicContact CG-CB 4.01Å; L231-P300 HydrophobicContact CG-CG 4.23Å; S232-P300 WeakPolarHBondContact O-CA 3.27Å; V234-P300 HydrophobicContact CG2-CB 3.8Å; V234-P300 HydrophobicContact CG2-CG 3.84Å; F260-P300 HydrophobicContact CB-CG 4.37Å; P300-F507 VanDerWaalsContact CD-CE2 3.49Å; P300-F507 HydrophobicContact CG-CE2 4.27Å |
| 301 | H | 92 | Very high | 76.1 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.065 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 139.1 | 170.8 | 179.8 | -89 | 0 | 0 | 0 | 109.9 | H40 R96 S232 E233 V234 Y303 | H40-H301 AromaticContact CE1-CD2 3.58Å; H40-H301 AromaticContact CE1-CG 3.43Å; H40-H301 VanDerWaalsContact CE1-CG 3.43Å; H40-H301 AromaticContact NE2-CG 3.64Å; H40-H301 AromaticContact NE2-ND1 3.84Å; R96-H301 PolarHBondContact O-CD2 2.9Å; S232-H301 PolarHBondContact O-N 3.36Å; E233-H301 CarbonylContact C-O 3.55Å; E233-H301 WeakPolarHBondContact CA-O 3.37Å; E233-H301 IonicContact OE2-CG 3Å; E233-H301 IonicContact OE2-ND1 3.26Å; E233-H301 PolarHBondContact OE2-ND1 3.29Å; E233-H301 VanDerWaalsContact OE2-ND1 3.09Å; V234-H301 PolarHBondContact N-O 3.36Å; H301-Y303 AromaticContact CE1-CD1 3.86Å; H301-Y303 AromaticContact CE1-CE1 3.32Å; H301-Y303 WeakPolarHBondContact CE1-CE1 3.35Å; H301-Y303 AromaticContact CE1-CE2 3.82Å; H301-Y303 AromaticContact CE1-CZ 3.29Å; H301-Y303 PolarHBondContact CE1-OH 2.84Å; H301-Y303 AromaticContact ND1-CE1 3.87Å; H301-Y303 AromaticContact ND1-CE2 3.48Å; H301-Y303 WeakPolarHBondContact ND1-CE2 3.49Å; H301-Y303 AromaticContact ND1-CZ 3.36Å; H301-Y303 PolarHBondContact ND1-OH 3.01Å |
| 302 | K | 92.5 | Very high | 79.1 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.017 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.6 | -175.5 | -62.7 | -178.1 | -157.7 | 151.1 | 0 | 112.8 | R96 S98 V234 I236 L257 F260 E261 | R96-K302 PolarHBondContact O-N 3.34Å; S98-K302 VanDerWaalsContact CB-CE 3.48Å; S98-K302 WeakPolarHBondContact OG-CD 3.47Å; S98-K302 WeakPolarHBondContact OG-CE 3.24Å; S98-K302 VanDerWaalsContact OG-CG 3.3Å; S98-K302 WeakPolarHBondContact OG-CG 3.38Å; S98-K302 PolarHBondContact OG-NZ 2.84Å; V234-K302 HydrophobicContact CB-CG 4.16Å; V234-K302 CarbonylContact O-C 3.53Å; V234-K302 VanDerWaalsContact O-CA 3.3Å; V234-K302 WeakPolarHBondContact O-CA 3.44Å; I236-K302 HydrophobicContact CD1-CD 4.38Å; L257-K302 HydrophobicContact CD1-CD 3.54Å; L257-K302 PolarHBondContact O-NZ 2.89Å; F260-K302 WeakPolarHBondContact O-CE 3.05Å; F260-K302 PolarHBondContact O-NZ 3.17Å; F260-K302 VanDerWaalsContact O-NZ 3.13Å; E261-K302 IonicContact OE1-NZ 3.39Å; E261-K302 PolarHBondContact OE1-NZ 3.06Å |
| 303 | Y | 93.9 | Very high | 82.1 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.1 | 164.9 | -55.3 | -81 | 0 | 0 | 0 | 109.5 | H38 E233 V234 L235 I236 H301 Y316 A320 | H38-Y303 HydrophobicContact CB-CE1 4.24Å; E233-Y303 WeakPolarHBondContact OE2-CE2 3.48Å; E233-Y303 PolarHBondContact OE2-OH 3.34Å; V234-Y303 PolarHBondContact O-N 3.14Å; L235-Y303 HydrophobicContact CD1-CD2 3.96Å; L235-Y303 HydrophobicContact CG-CD2 3.9Å; L235-Y303 HydrophobicContact CG-CG 4.38Å; I236-Y303 PolarHBondContact N-O 3.22Å; H301-Y303 AromaticContact CE1-CD1 3.86Å; H301-Y303 AromaticContact CE1-CE1 3.32Å; H301-Y303 WeakPolarHBondContact CE1-CE1 3.35Å; H301-Y303 AromaticContact CE1-CE2 3.82Å; H301-Y303 AromaticContact CE1-CZ 3.29Å; H301-Y303 PolarHBondContact CE1-OH 2.84Å; H301-Y303 AromaticContact ND1-CE1 3.87Å; H301-Y303 AromaticContact ND1-CE2 3.48Å; H301-Y303 WeakPolarHBondContact ND1-CE2 3.49Å; H301-Y303 AromaticContact ND1-CZ 3.36Å; H301-Y303 PolarHBondContact ND1-OH 3.01Å; Y303-Y316 AromaticContact CD1-CD1 3.45Å; Y303-Y316 HydrophobicContact CD1-CD1 3.45Å; Y303-Y316 VanDerWaalsContact CD1-CD1 3.45Å; Y303-Y316 AromaticContact CD1-CE1 3.93Å; Y303-Y316 HydrophobicContact CD1-CE1 3.93Å; Y303-Y316 HydrophobicContact CE1-CD1 4.19Å; Y303-Y316 AromaticContact CG-CD1 3.84Å; Y303-Y316 HydrophobicContact CG-CD1 3.84Å; Y303-A320 HydrophobicContact CD2-CB 4.34Å; Y303-A320 HydrophobicContact CE2-CB 3.7Å |
| 304 | L | 94.5 | Very high | 85 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.2 | 174.6 | -58.5 | -178.4 | 0 | 0 | 0 | 108.6 | L95 I236 L249 M253 L257 | L95-L304 HydrophobicContact CD2-CD1 3.99Å; I236-L304 HydrophobicContact CB-CD2 3.84Å; I236-L304 HydrophobicContact CD1-CD2 3.87Å; I236-L304 HydrophobicContact CG1-CD2 4.2Å; I236-L304 HydrophobicContact CG2-CD2 4.3Å; L249-L304 HydrophobicContact CD1-CD1 4.2Å; M253-L304 HydrophobicContact CE-CB 4Å; M253-L304 HydrophobicContact CE-CD2 4.48Å; L257-L304 HydrophobicContact CD1-CD1 4.38Å; L257-L304 HydrophobicContact CD1-CD2 4.16Å |
| 305 | L | 95.4 | Very high | 87.8 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 95.7 | -179.3 | -65 | -175.7 | 0 | 0 | 0 | 109.5 | L235 I236 V237 G238 P308 Y316 | L235-L305 HydrophobicContact CD2-CD1 4.08Å; I236-L305 PolarHBondContact O-N 3.01Å; V237-L305 WeakPolarHBondContact CA-O 3.19Å; V237-L305 HydrophobicContact CG2-CB 4.2Å; V237-L305 HydrophobicContact CG2-CD1 4.23Å; G238-L305 PolarHBondContact N-O 3.03Å; L305-P308 HydrophobicContact CB-CB 4.06Å; L305-P308 HydrophobicContact CB-CG 3.94Å; L305-P308 HydrophobicContact CD1-CB 4.44Å; L305-Y316 HydrophobicContact CD1-CG 4.3Å; L305-Y316 HydrophobicContact CD2-CD1 3.74Å; L305-Y316 HydrophobicContact CD2-CD2 4.25Å; L305-Y316 HydrophobicContact CD2-CE1 3.68Å; L305-Y316 HydrophobicContact CD2-CE2 4.19Å; L305-Y316 HydrophobicContact CD2-CG 3.99Å; L305-Y316 HydrophobicContact CG-CD1 4.45Å |
| 306 | Y | 95.1 | Very high | 90.3 | Very high | 54 Ų | 54 | 39.7 Ų | 39.7 | 21% | 0.212 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.2 | 174.2 | 178.2 | -107 | 0 | 0 | 0 | 110.4 | R245 E248 M253 | R245-Y306 HydrophobicContact CB-CE2 4.47Å; R245-Y306 WeakPolarHBondContact CD-OH 3.47Å; R245-Y306 PolarHBondContact NE-OH 3.44Å; R245-Y306 VanDerWaalsContact NE-OH 3.13Å; E248-Y306 HydrophobicContact CB-CD1 3.65Å; E248-Y306 HydrophobicContact CB-CE1 4.36Å; E248-Y306 HydrophobicContact CB-CG 3.96Å; E248-Y306 HydrophobicContact CG-CD1 3.93Å; E248-Y306 HydrophobicContact CG-CE1 4.38Å; E248-Y306 WeakPolarHBondContact O-CB 3.5Å; E248-Y306 VanDerWaalsContact O-CG 3.3Å; M253-Y306 HydrophobicContact SD-CD2 4Å |
| 307 | K | 94.9 | Very high | 92.3 | Very high | 40 Ų | 40 | 33 Ų | 33 | 17% | 0.174 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 41.9 | 56.2 | -175.6 | -53.7 | -163.5 | 167.1 | 177.7 | 0 | 113 | G238 N239 N365 | G238-K307 PolarHBondContact O-N 2.93Å; N239-K307 VanDerWaalsContact OD1-CA 3.29Å; N239-K307 WeakPolarHBondContact OD1-CA 3.48Å; N239-K307 WeakPolarHBondContact OD1-CB 3.32Å; N239-K307 WeakPolarHBondContact OD1-CG 3.45Å; K307-N365 HydrophobicContact CB-CB 4.24Å; K307-N365 WeakPolarHBondContact O-CB 3.49Å; K307-N365 PolarHBondContact O-ND2 3.36Å |
| 308 | P | 95.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | trans | -71.5 | 151.1 | -177.6 | 32.1 | -35.8 | 0 | 0 | 0 | 110.9 | V237 L305 Q312 T364 N365 | V237-P308 HydrophobicContact CG1-CG 3.81Å; L305-P308 HydrophobicContact CB-CB 4.06Å; L305-P308 HydrophobicContact CB-CG 3.94Å; L305-P308 HydrophobicContact CD1-CB 4.44Å; P308-Q312 HydrophobicContact CB-CB 4.13Å; P308-T364 WeakPolarHBondContact O-CB 2.99Å; P308-N365 PolarHBondContact O-N 2.94Å | ||
| 309 | T | 94.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 10% | 0.104 | 16% | 0.16 | C | C | . | . | trans | -70.5 | 159.2 | 159.5 | 70.2 | 0 | 0 | 0 | 0 | 110.2 | S311 Q312 F313 N365 R367 | T309-S311 PolarHBondContact O-N 2.81Å; T309-Q312 PolarHBondContact O-N 2.86Å; T309-Q312 VanDerWaalsContact O-N 3.11Å; T309-Q312 WeakPolarHBondContact OG1-CG 3.45Å; T309-Q312 PolarHBondContact OG1-N 3.1Å; T309-Q312 VanDerWaalsContact OG1-N 3.11Å; T309-F313 PolarHBondContact O-N 3.22Å; T309-N365 WeakPolarHBondContact CA-O 3.39Å; T309-N365 WeakPolarHBondContact CG2-O 3.41Å; T309-R367 HydrophobicContact CG2-CG 3.62Å | ||
| 310 | F | 95.2 | Very high | 94.6 | Very high | 54 Ų | 54 | 27.8 Ų | 27.8 | 24% | 0.237 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.2 | -42.1 | 171.6 | 179 | -97.9 | 0 | 0 | 0 | 112.5 | Q312 F313 N314 T364 I387 D391 | F310-Q312 PolarHBondContact O-N 3.15Å; F310-F313 HydrophobicContact CD2-CD1 4.36Å; F310-F313 HydrophobicContact CE2-CD1 4.39Å; F310-F313 WeakPolarHBondContact O-CB 3.2Å; F310-F313 PolarHBondContact O-N 2.81Å; F310-N314 HydrophobicContact CE1-CB 4.31Å; F310-N314 HydrophobicContact CZ-CB 4.47Å; F310-N314 WeakPolarHBondContact O-CB 3.34Å; F310-N314 PolarHBondContact O-N 2.95Å; F310-T364 HydrophobicContact CB-CG2 4.42Å; F310-I387 HydrophobicContact CD2-CG1 4.25Å; F310-D391 HydrophobicContact CE2-CB 4.07Å; F310-D391 HydrophobicContact CZ-CB 4.33Å |
| 311 | S | 94.1 | Very high | 94.7 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 55% | 0.545 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62 | -42.9 | 177.5 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | T309 N314 S315 | T309-S311 PolarHBondContact O-N 2.81Å; S311-N314 PolarHBondContact O-N 3.2Å; S311-S315 WeakPolarHBondContact O-CB 3.34Å; S311-S315 PolarHBondContact O-N 3.23Å; S311-S315 PolarHBondContact O-OG 3.26Å; S311-S315 VanDerWaalsContact O-OG 3.07Å |
| 312 | Q | 94.1 | Very high | 94.8 | Very high | 65 Ų | 65 | 37 Ų | 37 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 175.6 | -75.5 | 170.9 | -42.7 | 0 | 0 | 110.8 | P308 T309 F310 N314 S315 Y316 R367 | P308-Q312 HydrophobicContact CB-CB 4.13Å; T309-Q312 PolarHBondContact O-N 2.86Å; T309-Q312 VanDerWaalsContact O-N 3.11Å; T309-Q312 WeakPolarHBondContact OG1-CG 3.45Å; T309-Q312 PolarHBondContact OG1-N 3.1Å; T309-Q312 VanDerWaalsContact OG1-N 3.11Å; F310-Q312 PolarHBondContact O-N 3.15Å; Q312-N314 PolarHBondContact O-N 3.34Å; Q312-S315 PolarHBondContact O-N 3.34Å; Q312-Y316 WeakPolarHBondContact O-CD2 3.28Å; Q312-Y316 PolarHBondContact O-N 2.86Å; Q312-R367 VanDerWaalsContact NE2-NH2 3.17Å |
| 313 | F | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -52.5 | -54.5 | 175.3 | 164.9 | -100 | 0 | 0 | 0 | 111.5 | V237 T309 F310 S315 Y316 V317 L332 I387 L392 | V237-F313 HydrophobicContact CG2-CD2 4.2Å; T309-F313 PolarHBondContact O-N 3.22Å; F310-F313 HydrophobicContact CD2-CD1 4.36Å; F310-F313 HydrophobicContact CE2-CD1 4.39Å; F310-F313 WeakPolarHBondContact O-CB 3.2Å; F310-F313 PolarHBondContact O-N 2.81Å; F313-S315 PolarHBondContact O-N 3.47Å; F313-Y316 PolarHBondContact O-N 3.49Å; F313-V317 HydrophobicContact CD2-CG2 3.9Å; F313-V317 HydrophobicContact CE1-CG2 4.18Å; F313-V317 HydrophobicContact CE2-CG2 3.46Å; F313-V317 VanDerWaalsContact CE2-CG2 3.46Å; F313-V317 HydrophobicContact CG-CG2 4.43Å; F313-V317 HydrophobicContact CZ-CG2 3.63Å; F313-V317 WeakPolarHBondContact O-CG2 3.48Å; F313-V317 PolarHBondContact O-N 3.2Å; F313-L332 HydrophobicContact CE2-CD1 3.86Å; F313-L332 HydrophobicContact CE2-CD2 3.93Å; F313-L332 HydrophobicContact CZ-CD2 3.94Å; F313-I387 HydrophobicContact CB-CD1 4.36Å; F313-I387 HydrophobicContact CD1-CD1 3.83Å; F313-I387 HydrophobicContact CD1-CG1 3.7Å; F313-I387 HydrophobicContact CD2-CD1 3.64Å; F313-I387 HydrophobicContact CD2-CG1 4.43Å; F313-I387 HydrophobicContact CE1-CB 4.43Å; F313-I387 HydrophobicContact CE1-CD1 3.98Å; F313-I387 HydrophobicContact CE1-CG1 3.8Å; F313-I387 HydrophobicContact CE1-CG2 3.75Å; F313-I387 HydrophobicContact CE2-CD1 3.78Å; F313-I387 HydrophobicContact CG-CD1 3.66Å; F313-I387 HydrophobicContact CG-CG1 4.03Å; F313-I387 HydrophobicContact CZ-CD1 3.94Å; F313-I387 HydrophobicContact CZ-CG1 4.2Å; F313-I387 HydrophobicContact CZ-CG2 3.84Å; F313-L392 HydrophobicContact CZ-CD2 3.94Å |
| 314 | N | 96.1 | Very high | 94.6 | Very high | 57 Ų | 57 | 39 Ų | 39 | 31% | 0.305 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.5 | -41.2 | -175.7 | -169.6 | 56.5 | 0 | 0 | 0 | 112.3 | F310 S311 Q312 Y316 V317 A318 Y395 | F310-N314 HydrophobicContact CE1-CB 4.31Å; F310-N314 HydrophobicContact CZ-CB 4.47Å; F310-N314 WeakPolarHBondContact O-CB 3.34Å; F310-N314 PolarHBondContact O-N 2.95Å; S311-N314 PolarHBondContact O-N 3.2Å; Q312-N314 PolarHBondContact O-N 3.34Å; N314-Y316 VanDerWaalsContact C-N 3.33Å; N314-Y316 PolarHBondContact O-N 3.17Å; N314-V317 PolarHBondContact O-N 3.33Å; N314-A318 VanDerWaalsContact O-CB 3.25Å; N314-A318 WeakPolarHBondContact O-CB 3.43Å; N314-A318 PolarHBondContact O-N 3.47Å; N314-Y395 PolarHBondContact O-OH 3.16Å; N314-Y395 PolarHBondContact OD1-OH 2.95Å |
| 315 | S | 94.4 | Very high | 94.5 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | S311 Q312 F313 T319 | S311-S315 WeakPolarHBondContact O-CB 3.34Å; S311-S315 PolarHBondContact O-N 3.23Å; S311-S315 PolarHBondContact O-OG 3.26Å; S311-S315 VanDerWaalsContact O-OG 3.07Å; Q312-S315 PolarHBondContact O-N 3.34Å; F313-S315 PolarHBondContact O-N 3.47Å; S315-T319 WeakPolarHBondContact O-CB 3.14Å; S315-T319 PolarHBondContact O-N 3.41Å; S315-T319 VanDerWaalsContact O-N 3.07Å; S315-T319 PolarHBondContact O-OG1 3.09Å |
| 316 | Y | 94.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76 | -41.1 | -178.5 | -78.9 | -121.4 | 0 | 0 | 0 | 111.5 | Q37 H38 Y303 L305 Q312 F313 N314 T319 A320 | Q37-Y316 HydrophobicContact CB-CE1 4.02Å; Q37-Y316 WeakPolarHBondContact CB-OH 3.45Å; Q37-Y316 PolarHBondContact OE1-OH 2.99Å; H38-Y316 HydrophobicContact CB-CD1 4.1Å; H38-Y316 HydrophobicContact CB-CD2 4.32Å; H38-Y316 HydrophobicContact CB-CE1 4.31Å; H38-Y316 HydrophobicContact CB-CG 4.17Å; H38-Y316 AromaticContact ND1-CE2 3.8Å; Y303-Y316 AromaticContact CD1-CD1 3.45Å; Y303-Y316 HydrophobicContact CD1-CD1 3.45Å; Y303-Y316 VanDerWaalsContact CD1-CD1 3.45Å; Y303-Y316 AromaticContact CD1-CE1 3.93Å; Y303-Y316 HydrophobicContact CD1-CE1 3.93Å; Y303-Y316 HydrophobicContact CE1-CD1 4.19Å; Y303-Y316 AromaticContact CG-CD1 3.84Å; Y303-Y316 HydrophobicContact CG-CD1 3.84Å; L305-Y316 HydrophobicContact CD1-CG 4.3Å; L305-Y316 HydrophobicContact CD2-CD1 3.74Å; L305-Y316 HydrophobicContact CD2-CD2 4.25Å; L305-Y316 HydrophobicContact CD2-CE1 3.68Å; L305-Y316 HydrophobicContact CD2-CE2 4.19Å; L305-Y316 HydrophobicContact CD2-CG 3.99Å; L305-Y316 HydrophobicContact CG-CD1 4.45Å; Q312-Y316 WeakPolarHBondContact O-CD2 3.28Å; Q312-Y316 PolarHBondContact O-N 2.86Å; F313-Y316 PolarHBondContact O-N 3.49Å; N314-Y316 VanDerWaalsContact C-N 3.33Å; N314-Y316 PolarHBondContact O-N 3.17Å; Y316-T319 PolarHBondContact O-N 3.47Å; Y316-A320 WeakPolarHBondContact O-CB 3.49Å; Y316-A320 PolarHBondContact O-N 2.99Å |
| 317 | V | 96.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | L235 F313 N314 T319 A320 F321 L330 Y395 | L235-V317 HydrophobicContact CD2-CB 4.37Å; L235-V317 HydrophobicContact CD2-CG2 3.53Å; F313-V317 HydrophobicContact CD2-CG2 3.9Å; F313-V317 HydrophobicContact CE1-CG2 4.18Å; F313-V317 HydrophobicContact CE2-CG2 3.46Å; F313-V317 VanDerWaalsContact CE2-CG2 3.46Å; F313-V317 HydrophobicContact CG-CG2 4.43Å; F313-V317 HydrophobicContact CZ-CG2 3.63Å; F313-V317 WeakPolarHBondContact O-CG2 3.48Å; F313-V317 PolarHBondContact O-N 3.2Å; N314-V317 PolarHBondContact O-N 3.33Å; V317-T319 VanDerWaalsContact C-N 3.27Å; V317-T319 PolarHBondContact O-N 2.94Å; V317-A320 PolarHBondContact O-N 2.92Å; V317-F321 VanDerWaalsContact O-CB 3.25Å; V317-F321 WeakPolarHBondContact O-CB 3.33Å; V317-F321 PolarHBondContact O-N 2.85Å; V317-L330 HydrophobicContact CG1-CD2 4.24Å; V317-Y395 HydrophobicContact CB-CE1 4.48Å; V317-Y395 HydrophobicContact CB-CE2 4.14Å; V317-Y395 HydrophobicContact CG1-CD1 3.74Å; V317-Y395 HydrophobicContact CG1-CD2 3.42Å; V317-Y395 VanDerWaalsContact CG1-CD2 3.42Å; V317-Y395 HydrophobicContact CG1-CE1 3.82Å; V317-Y395 HydrophobicContact CG1-CE2 3.5Å; V317-Y395 VanDerWaalsContact CG1-CE2 3.5Å; V317-Y395 HydrophobicContact CG1-CG 3.53Å |
| 318 | A | 96 | Very high | 94.2 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 31% | 0.314 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.4 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N314 K322 Y395 | N314-A318 VanDerWaalsContact O-CB 3.25Å; N314-A318 WeakPolarHBondContact O-CB 3.43Å; N314-A318 PolarHBondContact O-N 3.47Å; A318-K322 WeakPolarHBondContact O-CB 3.4Å; A318-K322 PolarHBondContact O-N 3.11Å; A318-Y395 HydrophobicContact CB-CE1 4.08Å |
| 319 | T | 93.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 14% | 0.135 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71 | -45.9 | 178.1 | -58 | 0 | 0 | 0 | 0 | 111.9 | H38 G39 S315 Y316 V317 F321 K322 D323 | H38-T319 HydrophobicContact CB-CG2 3.84Å; H38-T319 PolarHBondContact CD2-OG1 2.92Å; G39-T319 VanDerWaalsContact N-CG2 3.26Å; S315-T319 WeakPolarHBondContact O-CB 3.14Å; S315-T319 PolarHBondContact O-N 3.41Å; S315-T319 VanDerWaalsContact O-N 3.07Å; S315-T319 PolarHBondContact O-OG1 3.09Å; Y316-T319 PolarHBondContact O-N 3.47Å; V317-T319 VanDerWaalsContact C-N 3.27Å; V317-T319 PolarHBondContact O-N 2.94Å; T319-F321 VanDerWaalsContact C-N 3.33Å; T319-F321 PolarHBondContact O-N 3.16Å; T319-K322 WeakPolarHBondContact O-CB 3.27Å; T319-K322 PolarHBondContact O-N 3Å; T319-D323 WeakPolarHBondContact O-CB 3.47Å; T319-D323 PolarHBondContact O-N 3Å |
| 320 | A | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | E233 L235 Y303 Y316 V317 K322 D323 L324 L330 | E233-A320 HydrophobicContact CB-CB 4Å; E233-A320 HydrophobicContact CG-CB 4.12Å; L235-A320 HydrophobicContact CD1-CB 3.6Å; Y303-A320 HydrophobicContact CD2-CB 4.34Å; Y303-A320 HydrophobicContact CE2-CB 3.7Å; Y316-A320 WeakPolarHBondContact O-CB 3.49Å; Y316-A320 PolarHBondContact O-N 2.99Å; V317-A320 PolarHBondContact O-N 2.92Å; A320-K322 VanDerWaalsContact C-N 3.3Å; A320-K322 PolarHBondContact O-N 3.49Å; A320-D323 PolarHBondContact O-N 3.36Å; A320-D323 VanDerWaalsContact O-N 3.16Å; A320-L324 WeakPolarHBondContact O-CG 3.42Å; A320-L324 PolarHBondContact O-N 2.95Å; A320-L330 HydrophobicContact CB-CD1 4.03Å; A320-L330 HydrophobicContact CB-CD2 4.46Å |
| 321 | F | 95.1 | Very high | 94.6 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 20% | 0.202 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.5 | -43.2 | 175.1 | 173.7 | -90.4 | 0 | 0 | 0 | 112.8 | V317 T319 Y395 R397 R398 | V317-F321 VanDerWaalsContact O-CB 3.25Å; V317-F321 WeakPolarHBondContact O-CB 3.33Å; V317-F321 PolarHBondContact O-N 2.85Å; T319-F321 VanDerWaalsContact C-N 3.33Å; T319-F321 PolarHBondContact O-N 3.16Å; F321-Y395 HydrophobicContact CB-CD1 3.91Å; F321-Y395 HydrophobicContact CB-CE1 4.41Å; F321-Y395 HydrophobicContact CD2-CD1 4.05Å; F321-Y395 AromaticContact CG-CD1 3.94Å; F321-Y395 HydrophobicContact CG-CD1 3.94Å; F321-R397 HydrophobicContact CE2-CB 3.98Å; F321-R397 HydrophobicContact CZ-CB 3.9Å; F321-R398 HydrophobicContact CD2-CB 4.1Å; F321-R398 HydrophobicContact CD2-CG 3.89Å; F321-R398 HydrophobicContact CE2-CB 3.72Å; F321-R398 HydrophobicContact CE2-CG 3.24Å; F321-R398 HydrophobicContact CZ-CG 3.7Å |
| 322 | K | 93.7 | Very high | 94.8 | Very high | 163 Ų | 163 | 35.1 Ų | 35.1 | 71% | 0.709 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -65.5 | -41.2 | 177.9 | 175.6 | -175.3 | 172.9 | -176.8 | 0 | 112.1 | A318 T319 A320 L324 | A318-K322 WeakPolarHBondContact O-CB 3.4Å; A318-K322 PolarHBondContact O-N 3.11Å; T319-K322 WeakPolarHBondContact O-CB 3.27Å; T319-K322 PolarHBondContact O-N 3Å; A320-K322 VanDerWaalsContact C-N 3.3Å; A320-K322 PolarHBondContact O-N 3.49Å; K322-L324 VanDerWaalsContact C-N 3.33Å |
| 323 | D | 90.6 | Very high | 95 | Very high | 44 Ų | 44 | 32 Ų | 32 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -85.1 | -6.2 | -173.9 | -72.2 | -11.3 | 0 | 0 | 0 | 113.1 | G39 H40 T319 A320 | G39-D323 WeakPolarHBondContact CA-OD2 3.43Å; H40-D323 IonicContact CD2-OD2 3.22Å; H40-D323 PolarHBondContact CD2-OD2 3.44Å; H40-D323 VanDerWaalsContact CD2-OD2 3.26Å; H40-D323 IonicContact CG-OD2 2.68Å; H40-D323 PolarHBondContact N-OD2 2.72Å; T319-D323 WeakPolarHBondContact O-CB 3.47Å; T319-D323 PolarHBondContact O-N 3Å; A320-D323 PolarHBondContact O-N 3.36Å; A320-D323 VanDerWaalsContact O-N 3.16Å |
| 324 | L | 93 | Very high | 95.1 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | trans | -55.2 | 131.8 | 174.1 | -79.5 | 175.4 | 0 | 0 | 0 | 111.8 | E233 A320 K322 A329 L330 R398 | E233-L324 HydrophobicContact CB-CD2 4.14Å; E233-L324 HydrophobicContact CG-CD2 3.81Å; E233-L324 HydrophobicContact CG-CG 4.38Å; A320-L324 WeakPolarHBondContact O-CG 3.42Å; A320-L324 PolarHBondContact O-N 2.95Å; K322-L324 VanDerWaalsContact C-N 3.33Å; L324-A329 WeakPolarHBondContact CD2-O 3.42Å; L324-L330 HydrophobicContact CD1-CB 3.9Å; L324-L330 HydrophobicContact CD2-CB 4.19Å; L324-L330 HydrophobicContact CG-CB 4.42Å; L324-R398 HydrophobicContact CD1-CB 3.92Å; L324-R398 HydrophobicContact CD1-CG 4.43Å; L324-R398 PolarHBondContact O-NH2 2.94Å | ||
| 325 | P | 92.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 29.3 Ų | 29.3 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | trans | -68.7 | 172.2 | 168 | 28.7 | -32.6 | 0 | 0 | 0 | 111.5 | S232 S327 G328 R398 | S232-P325 WeakPolarHBondContact OG-CG 3.31Å; P325-S327 VanDerWaalsContact C-N 3.29Å; P325-S327 PolarHBondContact O-N 3.45Å; P325-G328 PolarHBondContact O-N 3.39Å; P325-R398 PolarHBondContact O-NH2 3.31Å | ||
| 326 | A | 91.5 | Very high | 95.3 | Very high | 103 Ų | 103 | 27 Ų | 27 | 85% | 0.851 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -38.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G328 | A326-G328 VanDerWaalsContact C-N 3.34Š|
| 327 | S | 92.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 27.7 Ų | 27.7 | 39% | 0.385 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7 | 174.5 | 52 | 0 | 0 | 0 | 0 | 113.7 | H228 L229 Q230 P325 | H228-S327 WeakPolarHBondContact O-CB 2.98Å; L229-S327 WeakPolarHBondContact CA-O 3.27Å; Q230-S327 PolarHBondContact N-O 3.21Å; P325-S327 VanDerWaalsContact C-N 3.29Å; P325-S327 PolarHBondContact O-N 3.45Å |
| 328 | G | 94.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q230 S232 P325 A326 | Q230-G328 WeakPolarHBondContact O-CA 3.16Å; S232-G328 WeakPolarHBondContact OG-CA 3.28Å; P325-G328 PolarHBondContact O-N 3.39Å; A326-G328 VanDerWaalsContact C-N 3.34Å |
| 329 | A | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 145.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q230 S232 E233 L324 P399 F502 L508 | Q230-A329 PolarHBondContact O-N 2.96Å; S232-A329 PolarHBondContact N-O 3Å; E233-A329 PolarHBondContact N-O 3.5Å; L324-A329 WeakPolarHBondContact CD2-O 3.42Å; A329-P399 WeakPolarHBondContact CA-O 3.08Å; A329-P399 HydrophobicContact CB-CB 4.03Å; A329-F502 HydrophobicContact CB-CE1 4.05Å; A329-L508 HydrophobicContact CB-CD1 4.23Å |
| 330 | L | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.5 | 170.9 | 165.9 | 60.2 | 0 | 0 | 0 | 109.5 | E233 L235 V317 A320 L324 P399 L400 F401 | E233-L330 HydrophobicContact CB-CD1 3.79Å; E233-L330 WeakPolarHBondContact O-CA 3.3Å; L235-L330 HydrophobicContact CD1-CD1 3.39Å; V317-L330 HydrophobicContact CG1-CD2 4.24Å; A320-L330 HydrophobicContact CB-CD1 4.03Å; A320-L330 HydrophobicContact CB-CD2 4.46Å; L324-L330 HydrophobicContact CD1-CB 3.9Å; L324-L330 HydrophobicContact CD2-CB 4.19Å; L324-L330 HydrophobicContact CG-CB 4.42Å; L330-P399 PolarHBondContact N-O 3.02Å; L330-L400 HydrophobicContact CB-CD1 4.29Å; L330-L400 HydrophobicContact CD2-CD1 4Å; L330-L400 HydrophobicContact CG-CD1 3.87Å; L330-L400 WeakPolarHBondContact O-CA 3.37Å; L330-F401 PolarHBondContact O-N 3.38Å |
| 331 | L | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.8 | 167 | -174.9 | 147.6 | 0 | 0 | 0 | 111 | L231 E233 V234 L235 F260 F401 I403 L508 | L231-L331 HydrophobicContact CD1-CB 3.51Å; L231-L331 HydrophobicContact CD2-CB 4.48Å; L231-L331 HydrophobicContact CD2-CD1 4.45Å; E233-L331 PolarHBondContact O-N 2.96Å; V234-L331 CarbonylContact C-O 3.53Å; V234-L331 VanDerWaalsContact CA-O 3.31Å; V234-L331 WeakPolarHBondContact CA-O 3.3Å; V234-L331 HydrophobicContact CG1-CD2 3.82Å; V234-L331 HydrophobicContact CG2-CB 4.21Å; L235-L331 PolarHBondContact N-O 2.57Å; F260-L331 HydrophobicContact CE1-CD1 3.68Å; F260-L331 HydrophobicContact CE1-CD2 4.42Å; F260-L331 HydrophobicContact CE2-CD1 4.41Å; F260-L331 HydrophobicContact CE2-CD2 3.71Å; F260-L331 HydrophobicContact CZ-CD1 3.49Å; F260-L331 VanDerWaalsContact CZ-CD1 3.49Å; F260-L331 HydrophobicContact CZ-CD2 3.59Å; F260-L331 HydrophobicContact CZ-CG 4.22Å; L331-F401 CarbonylContact C-O 3.57Å; L331-F401 VanDerWaalsContact CA-O 3.22Å; L331-F401 WeakPolarHBondContact CA-O 3.33Å; L331-F401 HydrophobicContact CB-CB 4.43Å; L331-F401 HydrophobicContact CD1-CB 4.48Å; L331-F401 HydrophobicContact CD1-CD1 3.86Å; L331-F401 HydrophobicContact CD1-CG 4.4Å; L331-F401 HydrophobicContact CG-CB 4.44Å; L331-F401 HydrophobicContact CG-CD1 4.28Å; L331-I403 HydrophobicContact CD1-CD1 4.15Å; L331-I403 HydrophobicContact CD2-CD1 4.41Å; L331-L508 HydrophobicContact CD1-CD2 3.55Å |
| 332 | L | 98.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 108.1 | 173.3 | 173 | 55.9 | 0 | 0 | 0 | 109.3 | L235 V237 F313 I334 L392 F401 V402 I403 | L235-L332 HydrophobicContact CB-CD1 3.8Å; V237-L332 HydrophobicContact CG2-CD1 4.14Å; F313-L332 HydrophobicContact CE2-CD1 3.86Å; F313-L332 HydrophobicContact CE2-CD2 3.93Å; F313-L332 HydrophobicContact CZ-CD2 3.94Å; L332-I334 HydrophobicContact CD1-CD1 4.18Å; L332-I334 HydrophobicContact CD1-CG1 3.81Å; L332-I334 HydrophobicContact CD2-CD1 3.97Å; L332-I334 HydrophobicContact CD2-CG1 4.46Å; L332-I334 HydrophobicContact CG-CD1 3.97Å; L332-I334 HydrophobicContact CG-CG1 3.92Å; L332-L392 HydrophobicContact CD2-CD1 4.32Å; L332-L392 HydrophobicContact CD2-CD2 3.68Å; L332-F401 PolarHBondContact N-O 3.29Å; L332-V402 CarbonylContact O-C 3.59Å; L332-V402 WeakPolarHBondContact O-CA 3.25Å; L332-I403 PolarHBondContact O-N 3.03Å |
| 333 | Y | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.4 | 171.3 | 170.9 | -93.7 | 0 | 0 | 0 | 110.1 | L235 I236 V237 D252 M256 S335 I403 T447 | L235-Y333 PolarHBondContact O-N 3.27Å; I236-Y333 HydrophobicContact CB-CD1 4.41Å; I236-Y333 HydrophobicContact CG2-CD1 3.68Å; I236-Y333 HydrophobicContact CG2-CE1 4.15Å; V237-Y333 PolarHBondContact N-O 3.32Å; D252-Y333 WeakPolarHBondContact CB-OH 3.3Å; M256-Y333 HydrophobicContact CB-CD1 4.2Å; M256-Y333 HydrophobicContact CB-CE1 4.22Å; M256-Y333 HydrophobicContact CB-CG 4.41Å; M256-Y333 HydrophobicContact CE-CD2 4.14Å; M256-Y333 HydrophobicContact CE-CE2 4.45Å; M256-Y333 HydrophobicContact CG-CD1 3.95Å; M256-Y333 HydrophobicContact CG-CD2 3.82Å; M256-Y333 HydrophobicContact CG-CE1 3.66Å; M256-Y333 HydrophobicContact CG-CE2 3.55Å; M256-Y333 HydrophobicContact CG-CG 4Å; M256-Y333 VanDerWaalsContact CG-CZ 3.44Å; M256-Y333 HydrophobicContact SD-CD2 4.41Å; M256-Y333 HydrophobicContact SD-CE2 4.15Å; Y333-S335 WeakPolarHBondContact OH-CB 3.38Å; Y333-I403 HydrophobicContact CD2-CB 3.91Å; Y333-I403 HydrophobicContact CD2-CD1 4.44Å; Y333-I403 HydrophobicContact CD2-CG2 3.75Å; Y333-I403 HydrophobicContact CE2-CG2 4.14Å; Y333-T447 HydrophobicContact CE2-CG2 4.41Å; Y333-T447 WeakPolarHBondContact OH-CB 3.35Å; Y333-T447 WeakPolarHBondContact OH-CG2 3.36Å; Y333-T447 PolarHBondContact OH-OG1 3.23Å |
| 334 | I | 98.6 | Very high | 89 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 118 | 179.5 | -60.9 | 175.7 | 0 | 0 | 0 | 108.7 | V237 L332 A336 V362 I387 I403 D405 | V237-I334 HydrophobicContact CB-CG1 4.24Å; V237-I334 HydrophobicContact CG2-CG1 4.36Å; L332-I334 HydrophobicContact CD1-CD1 4.18Å; L332-I334 HydrophobicContact CD1-CG1 3.81Å; L332-I334 HydrophobicContact CD2-CD1 3.97Å; L332-I334 HydrophobicContact CD2-CG1 4.46Å; L332-I334 HydrophobicContact CG-CD1 3.97Å; L332-I334 HydrophobicContact CG-CG1 3.92Å; I334-A336 HydrophobicContact CG2-CB 3.88Å; I334-V362 HydrophobicContact CG2-CB 4.38Å; I334-V362 HydrophobicContact CG2-CG1 4.31Å; I334-V362 HydrophobicContact CG2-CG2 3.86Å; I334-I387 HydrophobicContact CD1-CD1 4.46Å; I334-I403 PolarHBondContact N-O 2.61Å; I334-D405 PolarHBondContact O-N 3.18Å |
| 335 | S | 98 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 107 | 163.9 | 175 | 0 | 0 | 0 | 0 | 108.2 | V237 G238 N239 D252 Y333 D405 N444 | V237-S335 PolarHBondContact O-N 2.94Å; G238-S335 CarbonylContact C-O 3.54Å; G238-S335 WeakPolarHBondContact CA-O 3.36Å; N239-S335 PolarHBondContact N-O 3.25Å; D252-S335 PolarHBondContact OD2-OG 2.95Å; Y333-S335 WeakPolarHBondContact OH-CB 3.38Å; S335-D405 WeakPolarHBondContact CA-O 3.22Å; S335-N444 PolarHBondContact OG-ND2 3.44Å; S335-N444 VanDerWaalsContact OG-ND2 3.07Å |
| 336 | A | 96.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 152.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N239 I334 V362 D405 S406 | N239-A336 HydrophobicContact CB-CB 3.97Å; I334-A336 HydrophobicContact CG2-CB 3.88Å; A336-V362 HydrophobicContact CB-CB 3.88Å; A336-V362 HydrophobicContact CB-CG1 4.37Å; A336-V362 HydrophobicContact CB-CG2 4.41Å; A336-D405 PolarHBondContact N-O 3.01Å; A336-D405 VanDerWaalsContact N-O 3.12Å; A336-S406 WeakPolarHBondContact O-CA 3.42Å; A336-S406 WeakPolarHBondContact O-CB 3.25Å; A336-S406 PolarHBondContact O-OG 3.42Å |
| 337 | D | 94.3 | Very high | 82.2 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | trans | -71 | 142.5 | 176.2 | -59.1 | -42.7 | 0 | 0 | 0 | 111.1 | C240 Y241 V363 R440 | C240-D337 WeakPolarHBondContact CA-OD2 3.42Å; Y241-D337 WeakPolarHBondContact CD2-OD2 3.13Å; Y241-D337 PolarHBondContact N-OD2 3.01Å; D337-V363 HydrophobicContact CB-CG1 4.02Å; D337-V363 WeakPolarHBondContact O-CG1 3.47Å; D337-V363 PolarHBondContact O-N 3.32Å; D337-R440 IonicContact OD1-NH2 2.81Å; D337-R440 PolarHBondContact OD1-NH2 2.83Å | ||
| 338 | G | 93.5 | Very high | 80.1 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 142 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S406 D407 | G338-S406 WeakPolarHBondContact CA-OG 3.48Å; G338-S406 PolarHBondContact N-OG 3.19Å; G338-D407 VanDerWaalsContact CA-OD1 3.26Å; G338-D407 WeakPolarHBondContact CA-OD1 3.47Å; G338-D407 PolarHBondContact N-OD1 3.09Å |
| 339 | V | 91.2 | Very high | 77.8 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 13% | 0.127 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115 | 167.6 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | G360 G361 V363 E383 C386 N408 | V339-G360 CarbonylContact O-C 3.33Å; V339-G360 VanDerWaalsContact O-CA 3.3Å; V339-G360 WeakPolarHBondContact O-CA 3.33Å; V339-G361 PolarHBondContact N-O 3.49Å; V339-G361 PolarHBondContact O-N 2.8Å; V339-V363 HydrophobicContact CG2-CB 3.78Å; V339-V363 HydrophobicContact CG2-CG2 4.21Å; V339-E383 HydrophobicContact CG1-CB 3.85Å; V339-E383 HydrophobicContact CG1-CG 3.97Å; V339-C386 HydrophobicContact CB-CB 4.5Å; V339-C386 HydrophobicContact CG2-CB 4.42Å; V339-N408 PolarHBondContact O-ND2 3.3Å |
| 340 | R | 87.6 | Confident | 75.7 | Confident | 162 Ų | 162 | 72.5 Ų | 72.5 | 61% | 0.611 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 138.7 | 177.9 | -59.3 | -178.9 | -169.3 | -163.5 | 2.2 | 109.7 | D407 | R340-D407 IonicContact CZ-OD2 3.27Å; R340-D407 IonicContact NE-OD2 3.72Å; R340-D407 IonicContact NH2-OD2 3.05Å; R340-D407 PolarHBondContact NH2-OD2 2.73Å |
| 341 | A | 77.6 | Confident | 73.5 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 146.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T343 D358 | A341-T343 PolarHBondContact O-N 3.2Å; A341-D358 WeakPolarHBondContact CB-O 3.32Å |
| 342 | P | 66.9 | Low | 71.2 | Confident | 59 Ų | 59 | 85 Ų | 85 | 38% | 0.383 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 136.7 | 169.4 | -15.2 | 26.9 | 0 | 0 | 0 | 109.3 | V344 V379 | P342-V344 PolarHBondContact O-N 3.43Å; P342-V379 HydrophobicContact CB-CG1 3.63Å; P342-V379 HydrophobicContact CG-CG1 4.12Å |
| 343 | T | 57 | Low | 69.1 | Low | 149 Ų | 149 | 88.8 Ų | 88.8 | 91% | 0.914 | 50% | 0.499 | S | S | * | . | trans | -66.5 | 80.1 | 174 | 22 | 0 | 0 | 0 | 0 | 109.6 | A341 K345 | A341-T343 PolarHBondContact O-N 3.2Å; T343-K345 PolarHBondContact O-N 3.13Å | ||
| 344 | V | 53.7 | Low | 67.4 | Low | 109 Ų | 109 | 89.8 Ų | 89.8 | 66% | 0.661 | 51% | 0.507 | S | S | * | . | trans | -70.7 | 120.2 | 170.6 | -176.6 | 0 | 0 | 0 | 0 | 106.9 | P342 T346 | P342-V344 PolarHBondContact O-N 3.43Å; V344-T346 PolarHBondContact O-N 2.78Å | ||
| 345 | K | 45.1 | Very low | 66.3 | Low | 195 Ų | 195 | 91.8 Ų | 91.8 | 85% | 0.848 | 52% | 0.524 | S | S | * | . | trans | -53 | 108.4 | 171.8 | -69.8 | 178.5 | 177.8 | 178 | 0 | 107.9 | T343 N347 | T343-K345 PolarHBondContact O-N 3.13Å; K345-N347 VanDerWaalsContact C-N 3.3Å; K345-N347 PolarHBondContact O-N 3.48Å | ||
| 346 | T | 43.2 | Very low | 65.6 | Low | 119 Ų | 119 | 92.8 Ų | 92.8 | 73% | 0.73 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -58.4 | 87.3 | 178.3 | 41.3 | 0 | 0 | 0 | 0 | 110.6 | V344 | V344-T346 PolarHBondContact O-N 2.78Š|
| 347 | N | 45.9 | Very low | 65.3 | Low | 156 Ų | 156 | 96.4 Ų | 96.4 | 83% | 0.834 | 55% | 0.548 | S | S | * | . | trans | -123.9 | -2.2 | 162.1 | -93.5 | 7.3 | 0 | 0 | 0 | 112.5 | K345 | K345-N347 VanDerWaalsContact C-N 3.3Å; K345-N347 PolarHBondContact O-N 3.48Å | ||
| 348 | N | 47.5 | Very low | 64.8 | Low | 153 Ų | 153 | 97 Ų | 97 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -106.9 | 129 | 170.4 | -78.8 | -6.6 | 0 | 0 | 0 | 108.8 | L350 | N348-L350 PolarHBondContact O-N 2.96Š|
| 349 | E | 46.3 | Very low | 64.4 | Low | 186 Ų | 186 | 101.5 Ų | 101.5 | 87% | 0.869 | 56% | 0.562 | S | S | * | * | trans | -42 | 126.6 | 175.3 | -65 | 179 | 155.1 | 0 | 0 | 110.1 | N351 | E349-N351 PolarHBondContact O-N 2.9Š| ||
| 350 | L | 52 | Low | 64.4 | Low | 112 Ų | 112 | 100.6 Ų | 100.6 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | trans | -52.4 | 103.3 | 171.6 | -82 | 147.2 | 0 | 0 | 0 | 107.4 | N348 V352 | N348-L350 PolarHBondContact O-N 2.96Å; L350-V352 VanDerWaalsContact C-N 3.33Å; L350-V352 PolarHBondContact O-N 3.23Å | ||
| 351 | N | 52 | Low | 64.7 | Low | 126 Ų | 126 | 92.9 Ų | 92.9 | 67% | 0.674 | 53% | 0.528 | S | S | * | . | trans | -57.5 | 102 | 171.3 | -86.6 | -43.6 | 0 | 0 | 0 | 106.6 | E349 G353 A354 | E349-N351 PolarHBondContact O-N 2.9Å; N351-G353 PolarHBondContact O-N 3.22Å; N351-A354 HydrophobicContact CB-CB 4.08Å; N351-A354 PolarHBondContact O-N 3.36Å | ||
| 352 | V | 50.3 | Low | 65.5 | Low | 138 Ų | 138 | 91 Ų | 91 | 84% | 0.836 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -54.2 | -27.9 | -172.2 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | L350 | L350-V352 VanDerWaalsContact C-N 3.33Å; L350-V352 PolarHBondContact O-N 3.23Å |
| 353 | G | 53.9 | Low | 66.9 | Low | 80 Ų | 80 | 89 Ų | 89 | 83% | 0.825 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -77.1 | -13.1 | 176 | 0 | 0 | 0 | 0 | 0 | 116.4 | N351 | N351-G353 PolarHBondContact O-N 3.22Š|
| 354 | A | 64.8 | Low | 68.7 | Low | 21 Ų | 21 | 82.1 Ų | 82.1 | 17% | 0.174 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -103.2 | -3.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | N351 G356 Y357 D358 | N351-A354 HydrophobicContact CB-CB 4.08Å; N351-A354 PolarHBondContact O-N 3.36Å; A354-G356 PolarHBondContact O-N 2.72Å; A354-Y357 PolarHBondContact O-N 3.05Å; A354-D358 VanDerWaalsContact C-OD2 3.26Å; A354-D358 VanDerWaalsContact O-CG 3.28Å; A354-D358 PolarHBondContact O-N 3.05Å |
| 355 | A | 75 | Confident | 70.4 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -52.5 | -34.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y357 Y359 | A355-Y357 PolarHBondContact O-N 2.75Å; A355-Y359 WeakPolarHBondContact O-CD2 3.47Å; A355-Y359 VanDerWaalsContact O-CE2 3.27Å; A355-Y359 WeakPolarHBondContact O-CE2 3.48Å |
| 356 | G | 83.9 | Confident | 72.2 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -68.4 | -9.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A354 P389 G390 | A354-G356 PolarHBondContact O-N 2.72Å; G356-P389 VanDerWaalsContact O-CD 3.28Å; G356-P389 WeakPolarHBondContact O-CD 3.31Å; G356-G390 PolarHBondContact O-N 3.28Å |
| 357 | Y | 88.9 | Confident | 73.4 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 30% | 0.302 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -123.3 | -4.8 | -175.3 | -56.1 | -83 | 0 | 0 | 0 | 112.9 | A354 A355 K382 H388 G390 | A354-Y357 PolarHBondContact O-N 3.05Å; A355-Y357 PolarHBondContact O-N 2.75Å; Y357-K382 WeakPolarHBondContact O-CD 3.36Å; Y357-K382 WeakPolarHBondContact O-CE 3.48Å; Y357-H388 HydrophobicContact CD1-CB 3.67Å; Y357-H388 AromaticContact CD1-CG 3.92Å; Y357-H388 HydrophobicContact CE1-CB 4.24Å; Y357-G390 PolarHBondContact OH-O 2.55Å |
| 358 | D | 84.7 | Confident | 73.9 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -88.7 | -16 | -172.5 | -65.6 | -26.4 | 0 | 0 | 0 | 113.3 | A341 A354 K382 | A341-D358 WeakPolarHBondContact CB-O 3.32Å; A354-D358 VanDerWaalsContact C-OD2 3.26Å; A354-D358 VanDerWaalsContact O-CG 3.28Å; A354-D358 PolarHBondContact O-N 3.05Å; D358-K382 WeakPolarHBondContact OD1-CE 3.33Å; D358-K382 IonicContact OD1-NZ 3.64Å; D358-K382 PolarHBondContact OD1-NZ 3.25Å |
| 359 | Y | 85.2 | Confident | 74.2 | Confident | 117 Ų | 117 | 70.1 Ų | 70.1 | 46% | 0.459 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -98.6 | 1.9 | -178.2 | -55.9 | -76 | 0 | 0 | 0 | 113.4 | A355 N408 T411 | A355-Y359 WeakPolarHBondContact O-CD2 3.47Å; A355-Y359 VanDerWaalsContact O-CE2 3.27Å; A355-Y359 WeakPolarHBondContact O-CE2 3.48Å; Y359-N408 PolarHBondContact O-ND2 2.89Å; Y359-T411 WeakPolarHBondContact O-CG2 3.32Å |
| 360 | G | 90.1 | Very high | 74.4 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.2 | -148.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V339 H388 P389 | V339-G360 CarbonylContact O-C 3.33Å; V339-G360 VanDerWaalsContact O-CA 3.3Å; V339-G360 WeakPolarHBondContact O-CA 3.33Å; G360-H388 PolarHBondContact O-CD2 3.5Å; G360-H388 VanDerWaalsContact O-CD2 3.29Å; G360-P389 WeakPolarHBondContact O-CD 3.36Å |
| 361 | G | 94 | Very high | 73.8 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | -134.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | V339 C386 I387 N408 | V339-G361 PolarHBondContact N-O 3.49Å; V339-G361 PolarHBondContact O-N 2.8Å; G361-C386 VanDerWaalsContact CA-SG 3.5Å; G361-I387 VanDerWaalsContact CA-O 3.31Å; G361-I387 WeakPolarHBondContact CA-O 3.5Å; G361-N408 PolarHBondContact N-ND2 3.2Å; G361-N408 PolarHBondContact O-ND2 2.94Å; G361-N408 VanDerWaalsContact O-ND2 3.1Å |
| 362 | V | 95.6 | Very high | 73.7 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.5 | 176.7 | -64 | 0 | 0 | 0 | 0 | 111.6 | I334 A336 C386 I387 V404 F412 | I334-V362 HydrophobicContact CG2-CB 4.38Å; I334-V362 HydrophobicContact CG2-CG1 4.31Å; I334-V362 HydrophobicContact CG2-CG2 3.86Å; A336-V362 HydrophobicContact CB-CB 3.88Å; A336-V362 HydrophobicContact CB-CG1 4.37Å; A336-V362 HydrophobicContact CB-CG2 4.41Å; V362-C386 CarbonylContact O-C 3.55Å; V362-C386 VanDerWaalsContact O-CA 3.24Å; V362-C386 WeakPolarHBondContact O-CA 3.1Å; V362-C386 PolarHBondContact O-SG 2.82Å; V362-C386 VanDerWaalsContact O-SG 3.41Å; V362-I387 HydrophobicContact CG2-CB 3.73Å; V362-I387 HydrophobicContact CG2-CD1 4.1Å; V362-I387 HydrophobicContact CG2-CG1 4.38Å; V362-I387 PolarHBondContact N-O 2.88Å; V362-I387 PolarHBondContact O-N 2.89Å; V362-V404 HydrophobicContact CG1-CG1 3.96Å; V362-F412 HydrophobicContact CG1-CE2 4.09Å; V362-F412 HydrophobicContact CG1-CZ 4.46Å; V362-F412 HydrophobicContact CG2-CZ 4.35Å |
| 363 | V | 94.9 | Very high | 73.3 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 145.5 | -176.2 | 72 | 0 | 0 | 0 | 0 | 112 | N239 Y241 D337 V339 | N239-V363 VanDerWaalsContact ND2-C 3.3Å; N239-V363 PolarHBondContact ND2-O 3.33Å; Y241-V363 HydrophobicContact CE2-CG1 3.72Å; Y241-V363 HydrophobicContact CE2-CG2 4.2Å; Y241-V363 WeakPolarHBondContact OH-CG2 3.45Å; D337-V363 HydrophobicContact CB-CG1 4.02Å; D337-V363 WeakPolarHBondContact O-CG1 3.47Å; D337-V363 PolarHBondContact O-N 3.32Å; V339-V363 HydrophobicContact CG2-CB 3.78Å; V339-V363 HydrophobicContact CG2-CG2 4.21Å |
| 364 | T | 94.8 | Very high | 73.2 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | trans | -121.2 | 164 | 166.9 | 65.3 | 0 | 0 | 0 | 0 | 109.8 | N239 P308 F310 H385 I387 | N239-T364 VanDerWaalsContact ND2-CA 3.28Å; N239-T364 WeakPolarHBondContact ND2-CA 3.4Å; P308-T364 WeakPolarHBondContact O-CB 2.99Å; F310-T364 HydrophobicContact CB-CG2 4.42Å; T364-H385 PolarHBondContact N-O 2.81Å; T364-H385 VanDerWaalsContact OG1-CA 3.23Å; T364-H385 WeakPolarHBondContact OG1-CA 3.33Å; T364-H385 PolarHBondContact OG1-O 2.84Å; T364-I387 HydrophobicContact CG2-CD1 3.8Å; T364-I387 HydrophobicContact CG2-CG1 3.54Å | ||
| 365 | N | 91.2 | Very high | 72.5 | Confident | 37 Ų | 37 | 77.4 Ų | 77.4 | 20% | 0.198 | 38% | 0.375 | C | S | . | . | trans | -74.2 | 136.6 | -178.6 | -168.5 | -11.2 | 0 | 0 | 0 | 111.7 | K307 P308 T309 Y372 | K307-N365 HydrophobicContact CB-CB 4.24Å; K307-N365 WeakPolarHBondContact O-CB 3.49Å; K307-N365 PolarHBondContact O-ND2 3.36Å; P308-N365 PolarHBondContact O-N 2.94Å; T309-N365 WeakPolarHBondContact CA-O 3.39Å; T309-N365 WeakPolarHBondContact CG2-O 3.41Å; N365-Y372 PolarHBondContact OD1-OH 2.81Å | ||
| 366 | N | 82.3 | Confident | 71.2 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | trans | -100.4 | 110 | 167.6 | -178.3 | 5.7 | 0 | 0 | 0 | 109.1 | H368 E369 | N366-H368 PolarHBondContact O-N 3.11Å; N366-H368 PolarHBondContact OD1-N 3.37Å; N366-E369 PolarHBondContact ND2-OE2 3.36Å; N366-E369 PolarHBondContact O-N 3.21Å; N366-E369 VanDerWaalsContact O-N 3.17Å | ||
| 367 | R | 68 | Low | 69.7 | Low | 170 Ų | 170 | 86.5 Ų | 86.5 | 64% | 0.642 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23 | -178.4 | -75.9 | 179.1 | 176.9 | -171.4 | -1.3 | 114.3 | T309 Q312 | T309-R367 HydrophobicContact CG2-CG 3.62Å; Q312-R367 VanDerWaalsContact NE2-NH2 3.17Å |
| 368 | H | 57.4 | Low | 67.9 | Low | 176 Ų | 176 | 92.4 Ų | 92.4 | 82% | 0.815 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13.8 | -174.6 | -71.1 | -70.9 | 0 | 0 | 0 | 114.3 | N366 | N366-H368 PolarHBondContact O-N 3.11Å; N366-H368 PolarHBondContact OD1-N 3.37Å |
| 369 | E | 52.5 | Low | 66.6 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | trans | -121.3 | 85.5 | -176.1 | -73.1 | 174.4 | 157 | 0 | 0 | 109.3 | N366 E371 K377 | N366-E369 PolarHBondContact ND2-OE2 3.36Å; N366-E369 PolarHBondContact O-N 3.21Å; N366-E369 VanDerWaalsContact O-N 3.17Å; E369-E371 PolarHBondContact O-N 3.01Å; E369-K377 IonicContact OE1-NZ 2.89Å; E369-K377 PolarHBondContact OE1-NZ 2.86Å; E369-K377 IonicContact OE2-NZ 2.84Å | ||
| 370 | Q | 50 | Low | 65.7 | Low | 189 Ų | 189 | 95.3 Ų | 95.3 | 88% | 0.883 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -71.7 | -6.6 | 167.7 | -79.4 | -179.9 | 0.2 | 0 | 0 | 112.5 | ||
| 371 | E | 39.6 | Very low | 64.7 | Low | 179 Ų | 179 | 102.7 Ų | 102.7 | 84% | 0.836 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -110.4 | 110.9 | 170.6 | -77 | -175.3 | 151.3 | 0 | 0 | 110.5 | E369 S373 | E369-E371 PolarHBondContact O-N 3.01Å; E371-S373 PolarHBondContact O-N 2.96Å |
| 372 | Y | 50.4 | Low | 64 | Low | 99 Ų | 99 | 107.5 Ų | 107.5 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | trans | -87.2 | 103 | -173.9 | -76.8 | -85.5 | 0 | 0 | 0 | 111.7 | Y241 N365 | Y241-Y372 HydrophobicContact CD1-CD1 4.43Å; Y241-Y372 HydrophobicContact CD1-CE1 4.39Å; Y241-Y372 HydrophobicContact CD1-CE2 4.48Å; Y241-Y372 HydrophobicContact CD1-CG 4.5Å; Y241-Y372 AromaticContact CE1-CD1 3.68Å; Y241-Y372 HydrophobicContact CE1-CD1 3.68Å; Y241-Y372 HydrophobicContact CE1-CD2 4.24Å; Y241-Y372 AromaticContact CE1-CE1 3.32Å; Y241-Y372 HydrophobicContact CE1-CE1 3.32Å; Y241-Y372 AromaticContact CE1-CE2 3.93Å; Y241-Y372 HydrophobicContact CE1-CE2 3.93Å; Y241-Y372 HydrophobicContact CE1-CG 4.12Å; Y241-Y372 AromaticContact CE1-CZ 3.43Å; Y241-Y372 VanDerWaalsContact CE1-CZ 3.43Å; Y241-Y372 HydrophobicContact CE2-CD1 4.49Å; Y241-Y372 AromaticContact CZ-CD1 3.72Å; Y241-Y372 AromaticContact CZ-CE1 3.42Å; Y241-Y372 VanDerWaalsContact CZ-CE1 3.42Å; Y241-Y372 WeakPolarHBondContact OH-CE1 3.29Å; N365-Y372 PolarHBondContact OD1-OH 2.81Å | ||
| 373 | S | 43.1 | Very low | 63.4 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | trans | -119 | 107.4 | 151.3 | -150.8 | 0 | 0 | 0 | 0 | 106.9 | E371 K375 | E371-S373 PolarHBondContact O-N 2.96Å; S373-K375 PolarHBondContact O-N 3.13Å; S373-K375 WeakPolarHBondContact OG-CE 3.21Å; S373-K375 WeakPolarHBondContact OG-CG 3.37Å | ||
| 374 | V | 51 | Low | 63 | Low | 110 Ų | 110 | 114 Ų | 114 | 67% | 0.667 | 55% | 0.55 | S | S | * | . | trans | -70.2 | 59.3 | 167.1 | -169.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 375 | K | 49.1 | Very low | 62.8 | Low | 160 Ų | 160 | 116.6 Ų | 116.6 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | trans | -82.2 | 120.2 | 167.2 | -76.9 | -179.7 | -176.2 | 180 | 0 | 105.5 | S373 K377 | S373-K375 PolarHBondContact O-N 3.13Å; S373-K375 WeakPolarHBondContact OG-CE 3.21Å; S373-K375 WeakPolarHBondContact OG-CG 3.37Å; K375-K377 PolarHBondContact O-N 3.15Å | ||
| 376 | P | 48.5 | Very low | 62.9 | Low | 105 Ų | 105 | 114.9 Ų | 114.9 | 68% | 0.682 | 55% | 0.553 | S | S | * | * | trans | -59.1 | 106.6 | 179.2 | 22.5 | -30.1 | 0 | 0 | 0 | 108.4 | R378 | P376-R378 PolarHBondContact O-N 3.39Š| ||
| 377 | K | 51.5 | Low | 63.5 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 65% | 0.648 | 55% | 0.547 | S | S | * | . | trans | -69.4 | 121.1 | 170.5 | -75.4 | -179.9 | -178.8 | 166.5 | 0 | 106.5 | E369 K375 | E369-K377 IonicContact OE1-NZ 2.89Å; E369-K377 PolarHBondContact OE1-NZ 2.86Å; E369-K377 IonicContact OE2-NZ 2.84Å; K375-K377 PolarHBondContact O-N 3.15Å | ||
| 378 | R | 52.5 | Low | 64.8 | Low | 202 Ų | 202 | 106.4 Ų | 106.4 | 76% | 0.762 | 52% | 0.52 | S | S | * | . | trans | 37.9 | 104.9 | 174.5 | -67.5 | -173.3 | 179 | -177.3 | -0.4 | 114.9 | P376 D380 F381 | P376-R378 PolarHBondContact O-N 3.39Å; R378-D380 PolarHBondContact O-N 2.87Å; R378-F381 PolarHBondContact O-N 3.35Å | ||
| 379 | V | 57.4 | Low | 66.6 | Low | 93 Ų | 93 | 98.3 Ų | 98.3 | 56% | 0.564 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | -17.9 | 179.8 | -165.8 | 0 | 0 | 0 | 0 | 115.1 | P342 F381 | P342-V379 HydrophobicContact CB-CG1 3.63Å; P342-V379 HydrophobicContact CG-CG1 4.12Å; V379-F381 PolarHBondContact O-N 3.21Å |
| 380 | D | 65.3 | Low | 68.5 | Low | 133 Ų | 133 | 94.7 Ų | 94.7 | 71% | 0.711 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -13.5 | -172.4 | -55.5 | -38.3 | 0 | 0 | 0 | 114.8 | R378 | R378-D380 PolarHBondContact O-N 2.87Š|
| 381 | F | 69.7 | Low | 70.6 | Confident | 159 Ų | 159 | 87 Ų | 87 | 70% | 0.697 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -124.9 | 147.9 | -175.9 | -60.1 | -77.2 | 0 | 0 | 0 | 113 | R378 V379 | R378-F381 PolarHBondContact O-N 3.35Å; V379-F381 PolarHBondContact O-N 3.21Å |
| 382 | K | 78.5 | Confident | 73.3 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | trans | -70 | 145.9 | 174.2 | -65.8 | 175 | 173.3 | 175 | 0 | 110.2 | Y357 D358 P384 | Y357-K382 WeakPolarHBondContact O-CD 3.36Å; Y357-K382 WeakPolarHBondContact O-CE 3.48Å; D358-K382 WeakPolarHBondContact OD1-CE 3.33Å; D358-K382 IonicContact OD1-NZ 3.64Å; D358-K382 PolarHBondContact OD1-NZ 3.25Å; K382-P384 WeakPolarHBondContact O-CD 3.44Å | ||
| 383 | E | 84.1 | Confident | 75.4 | Confident | 64 Ų | 64 | 75.7 Ų | 75.7 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | trans | -64.5 | 112.7 | -176.8 | 176.7 | 52.1 | -112.4 | 0 | 0 | 111.3 | V339 H385 C386 H388 | V339-E383 HydrophobicContact CG1-CB 3.85Å; V339-E383 HydrophobicContact CG1-CG 3.97Å; E383-H385 VanDerWaalsContact C-N 3.28Å; E383-H385 PolarHBondContact O-N 3.34Å; E383-H385 WeakPolarHBondContact OE1-CB 3.33Å; E383-H385 IonicContact OE1-CD2 3.73Å; E383-H385 IonicContact OE1-CG 2.6Å; E383-H385 PolarHBondContact OE1-N 3.23Å; E383-C386 HydrophobicContact CB-CB 4.01Å; E383-C386 HydrophobicContact CG-CB 3.77Å; E383-C386 WeakPolarHBondContact O-CB 3.38Å; E383-H388 PolarHBondContact O-CE1 3.09Å | ||
| 384 | P | 85.5 | Confident | 77.9 | Confident | 90 Ų | 90 | 74.8 Ų | 74.8 | 58% | 0.584 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -23.4 | -179.9 | 28.5 | -36.8 | 0 | 0 | 0 | 113.5 | K382 C386 | K382-P384 WeakPolarHBondContact O-CD 3.44Å; P384-C386 VanDerWaalsContact C-N 3.28Å; P384-C386 PolarHBondContact O-N 2.87Å |
| 385 | H | 91.1 | Very high | 80 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 49.1 | 178.1 | -58.1 | -68.5 | 0 | 0 | 0 | 111.4 | T364 E383 | T364-H385 PolarHBondContact N-O 2.81Å; T364-H385 VanDerWaalsContact OG1-CA 3.23Å; T364-H385 WeakPolarHBondContact OG1-CA 3.33Å; T364-H385 PolarHBondContact OG1-O 2.84Å; E383-H385 VanDerWaalsContact C-N 3.28Å; E383-H385 PolarHBondContact O-N 3.34Å; E383-H385 WeakPolarHBondContact OE1-CB 3.33Å; E383-H385 IonicContact OE1-CD2 3.73Å; E383-H385 IonicContact OE1-CG 2.6Å; E383-H385 PolarHBondContact OE1-N 3.23Å |
| 386 | C | 93.1 | Very high | 82.3 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.6 | -178.9 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | V339 G361 V362 E383 P384 | V339-C386 HydrophobicContact CB-CB 4.5Å; V339-C386 HydrophobicContact CG2-CB 4.42Å; G361-C386 VanDerWaalsContact CA-SG 3.5Å; V362-C386 CarbonylContact O-C 3.55Å; V362-C386 VanDerWaalsContact O-CA 3.24Å; V362-C386 WeakPolarHBondContact O-CA 3.1Å; V362-C386 PolarHBondContact O-SG 2.82Å; V362-C386 VanDerWaalsContact O-SG 3.41Å; E383-C386 HydrophobicContact CB-CB 4.01Å; E383-C386 HydrophobicContact CG-CB 3.77Å; E383-C386 WeakPolarHBondContact O-CB 3.38Å; P384-C386 VanDerWaalsContact C-N 3.28Å; P384-C386 PolarHBondContact O-N 2.87Å |
| 387 | I | 95.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.2 | 163.9 | -59.4 | 157.7 | 0 | 0 | 0 | 106.8 | F310 F313 I334 G361 V362 T364 L392 F412 | F310-I387 HydrophobicContact CD2-CG1 4.25Å; F313-I387 HydrophobicContact CB-CD1 4.36Å; F313-I387 HydrophobicContact CD1-CD1 3.83Å; F313-I387 HydrophobicContact CD1-CG1 3.7Å; F313-I387 HydrophobicContact CD2-CD1 3.64Å; F313-I387 HydrophobicContact CD2-CG1 4.43Å; F313-I387 HydrophobicContact CE1-CB 4.43Å; F313-I387 HydrophobicContact CE1-CD1 3.98Å; F313-I387 HydrophobicContact CE1-CG1 3.8Å; F313-I387 HydrophobicContact CE1-CG2 3.75Å; F313-I387 HydrophobicContact CE2-CD1 3.78Å; F313-I387 HydrophobicContact CG-CD1 3.66Å; F313-I387 HydrophobicContact CG-CG1 4.03Å; F313-I387 HydrophobicContact CZ-CD1 3.94Å; F313-I387 HydrophobicContact CZ-CG1 4.2Å; F313-I387 HydrophobicContact CZ-CG2 3.84Å; I334-I387 HydrophobicContact CD1-CD1 4.46Å; G361-I387 VanDerWaalsContact CA-O 3.31Å; G361-I387 WeakPolarHBondContact CA-O 3.5Å; V362-I387 HydrophobicContact CG2-CB 3.73Å; V362-I387 HydrophobicContact CG2-CD1 4.1Å; V362-I387 HydrophobicContact CG2-CG1 4.38Å; V362-I387 PolarHBondContact N-O 2.88Å; V362-I387 PolarHBondContact O-N 2.89Å; T364-I387 HydrophobicContact CG2-CD1 3.8Å; T364-I387 HydrophobicContact CG2-CG1 3.54Å; I387-L392 HydrophobicContact CG2-CD2 4.49Å; I387-F412 WeakPolarHBondContact O-CZ 3.37Å |
| 388 | H | 94.8 | Very high | 86.7 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 6% | 0.06 | 28% | 0.283 | C | S | . | . | trans | -89.3 | 155.7 | 174.7 | -63.3 | 83.5 | 0 | 0 | 0 | 110.8 | Y357 G360 E383 G390 D391 | Y357-H388 HydrophobicContact CD1-CB 3.67Å; Y357-H388 AromaticContact CD1-CG 3.92Å; Y357-H388 HydrophobicContact CE1-CB 4.24Å; G360-H388 PolarHBondContact O-CD2 3.5Å; G360-H388 VanDerWaalsContact O-CD2 3.29Å; E383-H388 PolarHBondContact O-CE1 3.09Å; H388-G390 PolarHBondContact O-N 3.43Å; H388-G390 VanDerWaalsContact O-N 3.17Å; H388-D391 WeakPolarHBondContact CA-OD2 3.47Å; H388-D391 WeakPolarHBondContact CB-OD2 3.49Å; H388-D391 IonicContact CG-OD2 2.76Å; H388-D391 PolarHBondContact N-OD2 3.15Å; H388-D391 IonicContact ND1-OD2 3.78Å; H388-D391 WeakPolarHBondContact O-CB 3.24Å; H388-D391 PolarHBondContact O-N 3.21Å | ||
| 389 | P | 94.5 | Very high | 88.8 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -51.3 | -37.1 | 170.6 | -27.6 | 33.5 | 0 | 0 | 0 | 113.5 | G356 G360 D391 L392 T411 F412 I415 | G356-P389 VanDerWaalsContact O-CD 3.28Å; G356-P389 WeakPolarHBondContact O-CD 3.31Å; G360-P389 WeakPolarHBondContact O-CD 3.36Å; P389-D391 VanDerWaalsContact C-N 3.27Å; P389-D391 PolarHBondContact O-N 2.99Å; P389-L392 PolarHBondContact O-N 3.39Å; P389-T411 VanDerWaalsContact CG-O 3.31Å; P389-T411 WeakPolarHBondContact CG-O 3.43Å; P389-F412 HydrophobicContact CB-CD1 4.17Å; P389-F412 HydrophobicContact CB-CE1 4.47Å; P389-F412 HydrophobicContact CB-CG 4.45Å; P389-F412 HydrophobicContact CG-CD1 4.07Å; P389-F412 HydrophobicContact CG-CD2 4.15Å; P389-F412 HydrophobicContact CG-CE1 4.23Å; P389-F412 HydrophobicContact CG-CE2 4.3Å; P389-F412 HydrophobicContact CG-CG 4.02Å; P389-F412 HydrophobicContact CG-CZ 4.34Å; P389-I415 HydrophobicContact CB-CD1 4Å; P389-I415 HydrophobicContact CB-CG1 3.71Å |
| 390 | G | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -62.7 | -29 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | G356 Y357 H388 L392 L393 | G356-G390 PolarHBondContact O-N 3.28Å; Y357-G390 PolarHBondContact OH-O 2.55Å; H388-G390 PolarHBondContact O-N 3.43Å; H388-G390 VanDerWaalsContact O-N 3.17Å; G390-L392 PolarHBondContact O-N 3.39Å; G390-L393 WeakPolarHBondContact O-CB 3.36Å; G390-L393 WeakPolarHBondContact O-CG 2.85Å; G390-L393 PolarHBondContact O-N 3.05Å |
| 391 | D | 94.7 | Very high | 92.3 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -68.1 | -18.6 | 179 | -63.2 | -50.6 | 0 | 0 | 0 | 112.5 | F310 H388 P389 P394 | F310-D391 HydrophobicContact CE2-CB 4.07Å; F310-D391 HydrophobicContact CZ-CB 4.33Å; H388-D391 WeakPolarHBondContact CA-OD2 3.47Å; H388-D391 WeakPolarHBondContact CB-OD2 3.49Å; H388-D391 IonicContact CG-OD2 2.76Å; H388-D391 PolarHBondContact N-OD2 3.15Å; H388-D391 IonicContact ND1-OD2 3.78Å; H388-D391 WeakPolarHBondContact O-CB 3.24Å; H388-D391 PolarHBondContact O-N 3.21Å; P389-D391 VanDerWaalsContact C-N 3.27Å; P389-D391 PolarHBondContact O-N 2.99Å; D391-P394 WeakPolarHBondContact O-CD 3.46Å |
| 392 | L | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -85 | -15.8 | 178.6 | -56.8 | -171.9 | 0 | 0 | 0 | 113.1 | F313 L332 I387 P389 G390 P394 Y395 T396 V402 F412 I415 | F313-L392 HydrophobicContact CZ-CD2 3.94Å; L332-L392 HydrophobicContact CD2-CD1 4.32Å; L332-L392 HydrophobicContact CD2-CD2 3.68Å; I387-L392 HydrophobicContact CG2-CD2 4.49Å; P389-L392 PolarHBondContact O-N 3.39Å; G390-L392 PolarHBondContact O-N 3.39Å; L392-P394 VanDerWaalsContact C-CD 3.47Å; L392-Y395 PolarHBondContact O-N 2.68Å; L392-T396 PolarHBondContact O-N 3.47Å; L392-V402 HydrophobicContact CD1-CG1 4.13Å; L392-V402 HydrophobicContact CD1-CG2 4.15Å; L392-F412 HydrophobicContact CD1-CD1 3.88Å; L392-F412 HydrophobicContact CD1-CE1 3.9Å; L392-F412 HydrophobicContact CG-CE1 4.48Å; L392-I415 HydrophobicContact CB-CD1 4.32Å; L392-I415 HydrophobicContact CD1-CD1 4Å |
| 393 | L | 94.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 27 Ų | 27 | 22% | 0.215 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -53.2 | -43.9 | -176.9 | -70.9 | 172.6 | 0 | 0 | 0 | 113.7 | G390 Y395 T396 I415 P416 L418 | G390-L393 WeakPolarHBondContact O-CB 3.36Å; G390-L393 WeakPolarHBondContact O-CG 2.85Å; G390-L393 PolarHBondContact O-N 3.05Å; L393-Y395 PolarHBondContact O-N 2.76Å; L393-Y395 VanDerWaalsContact O-N 3.17Å; L393-T396 PolarHBondContact O-N 2.8Å; L393-T396 PolarHBondContact O-OG1 2.85Å; L393-I415 HydrophobicContact CD2-CG2 3.85Å; L393-P416 HydrophobicContact CD2-CG 3.66Å; L393-L418 HydrophobicContact CD2-CD1 4.27Å |
| 394 | P | 94.8 | Very high | 95.4 | Very high | 60 Ų | 60 | 24 Ų | 24 | 39% | 0.39 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -53.5 | -37.8 | 177.1 | -28.8 | 38.4 | 0 | 0 | 0 | 113.6 | D391 L392 R397 | D391-P394 WeakPolarHBondContact O-CD 3.46Å; L392-P394 VanDerWaalsContact C-CD 3.47Å; P394-R397 VanDerWaalsContact CA-NH1 3.26Å; P394-R397 WeakPolarHBondContact O-CG 2.95Å; P394-R397 PolarHBondContact O-NH1 2.96Å |
| 395 | Y | 96.5 | Very high | 95.9 | Very high | 18 Ų | 18 | 20 Ų | 20 | 7% | 0.071 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -86.3 | -11.2 | -170.6 | -51.8 | -61.3 | 0 | 0 | 0 | 113.8 | N314 V317 A318 F321 L392 L393 R397 R398 | N314-Y395 PolarHBondContact O-OH 3.16Å; N314-Y395 PolarHBondContact OD1-OH 2.95Å; V317-Y395 HydrophobicContact CB-CE1 4.48Å; V317-Y395 HydrophobicContact CB-CE2 4.14Å; V317-Y395 HydrophobicContact CG1-CD1 3.74Å; V317-Y395 HydrophobicContact CG1-CD2 3.42Å; V317-Y395 VanDerWaalsContact CG1-CD2 3.42Å; V317-Y395 HydrophobicContact CG1-CE1 3.82Å; V317-Y395 HydrophobicContact CG1-CE2 3.5Å; V317-Y395 VanDerWaalsContact CG1-CE2 3.5Å; V317-Y395 HydrophobicContact CG1-CG 3.53Å; A318-Y395 HydrophobicContact CB-CE1 4.08Å; F321-Y395 HydrophobicContact CB-CD1 3.91Å; F321-Y395 HydrophobicContact CB-CE1 4.41Å; F321-Y395 HydrophobicContact CD2-CD1 4.05Å; F321-Y395 AromaticContact CG-CD1 3.94Å; F321-Y395 HydrophobicContact CG-CD1 3.94Å; L392-Y395 PolarHBondContact O-N 2.68Å; L393-Y395 PolarHBondContact O-N 2.76Å; L393-Y395 VanDerWaalsContact O-N 3.17Å; Y395-R397 PolarHBondContact O-N 2.75Å; Y395-R397 VanDerWaalsContact O-N 3.15Å; Y395-R398 PolarHBondContact O-N 3.03Å |
| 396 | T | 96 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -70.3 | 0.1 | 171.2 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | L392 L393 R398 L400 I415 F419 Q421 F423 | L392-T396 PolarHBondContact O-N 3.47Å; L393-T396 PolarHBondContact O-N 2.8Å; L393-T396 PolarHBondContact O-OG1 2.85Å; T396-R398 PolarHBondContact O-N 3.19Å; T396-L400 HydrophobicContact CG2-CD2 4.19Å; T396-I415 HydrophobicContact CG2-CG2 4.29Å; T396-F419 VanDerWaalsContact OG1-CD2 3.28Å; T396-F419 WeakPolarHBondContact OG1-CD2 3.32Å; T396-Q421 WeakPolarHBondContact O-CB 3.48Å; T396-F423 HydrophobicContact CG2-CD2 4.03Å; T396-F423 HydrophobicContact CG2-CE2 4.04Å; T396-F423 HydrophobicContact CG2-CG 4.47Å; T396-F423 HydrophobicContact CG2-CZ 4.48Å |
| 397 | R | 96 | Very high | 96.1 | Very high | 120 Ų | 120 | 19.3 Ų | 19.3 | 45% | 0.453 | 9% | 0.092 | S | C | . | . | G | 310 helix | trans | -70.8 | -9.1 | 171.1 | -75.1 | 175 | 177 | 70 | -0.9 | 114.1 | F321 P394 Y395 F419 Q421 | F321-R397 HydrophobicContact CE2-CB 3.98Å; F321-R397 HydrophobicContact CZ-CB 3.9Å; P394-R397 VanDerWaalsContact CA-NH1 3.26Å; P394-R397 WeakPolarHBondContact O-CG 2.95Å; P394-R397 PolarHBondContact O-NH1 2.96Å; Y395-R397 PolarHBondContact O-N 2.75Å; Y395-R397 VanDerWaalsContact O-N 3.15Å; R397-F419 HydrophobicContact CB-CD2 4.4Å; R397-F419 HydrophobicContact CB-CG 4.4Å; R397-F419 HydrophobicContact CG-CD1 3.72Å; R397-F419 HydrophobicContact CG-CD2 3.6Å; R397-F419 HydrophobicContact CG-CE1 3.77Å; R397-F419 HydrophobicContact CG-CE2 3.66Å; R397-F419 HydrophobicContact CG-CG 3.65Å; R397-F419 HydrophobicContact CG-CZ 3.77Å; R397-F419 VanDerWaalsContact NH2-CZ 3.31Å; R397-Q421 WeakPolarHBondContact O-CG 3.19Å |
| 398 | R | 96.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 20.1 Ų | 20.1 | 23% | 0.234 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -135.4 | 161.6 | 175.6 | -62.8 | -71.3 | -82.5 | -74.8 | 0.6 | 108 | F321 L324 P325 Y395 T396 L400 | F321-R398 HydrophobicContact CD2-CB 4.1Å; F321-R398 HydrophobicContact CD2-CG 3.89Å; F321-R398 HydrophobicContact CE2-CB 3.72Å; F321-R398 HydrophobicContact CE2-CG 3.24Å; F321-R398 HydrophobicContact CZ-CG 3.7Å; L324-R398 HydrophobicContact CD1-CB 3.92Å; L324-R398 HydrophobicContact CD1-CG 4.43Å; L324-R398 PolarHBondContact O-NH2 2.94Å; P325-R398 PolarHBondContact O-NH2 3.31Å; Y395-R398 PolarHBondContact O-N 3.03Å; T396-R398 PolarHBondContact O-N 3.19Å; R398-L400 PolarHBondContact O-N 3.05Å; R398-L400 VanDerWaalsContact O-N 3.12Å |
| 399 | P | 97.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.032 | 9% | 0.093 | C | C | . | . | trans | -54.8 | 119.5 | 178.4 | -23.9 | 32.3 | 0 | 0 | 0 | 111.6 | L229 A329 L330 P422 F502 | L229-P399 HydrophobicContact CD1-CB 3.73Å; L229-P399 HydrophobicContact CD1-CG 3.97Å; L229-P399 HydrophobicContact CD2-CB 4.23Å; L229-P399 HydrophobicContact CD2-CG 3.7Å; A329-P399 WeakPolarHBondContact CA-O 3.08Å; A329-P399 HydrophobicContact CB-CB 4.03Å; L330-P399 PolarHBondContact N-O 3.02Å; P399-P422 VanDerWaalsContact CA-O 3.31Å; P399-P422 WeakPolarHBondContact CA-O 3.35Å; P399-P422 HydrophobicContact CB-CB 4.3Å; P399-F502 HydrophobicContact CB-CE1 4.03Å; P399-F502 HydrophobicContact CB-CZ 4.31Å | ||
| 400 | L | 98 | Very high | 96.1 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 124.8 | -172.6 | 174.3 | 63.8 | 0 | 0 | 0 | 110.6 | L330 T396 R398 V402 P422 F423 V424 | L330-L400 HydrophobicContact CB-CD1 4.29Å; L330-L400 HydrophobicContact CD2-CD1 4Å; L330-L400 HydrophobicContact CG-CD1 3.87Å; L330-L400 WeakPolarHBondContact O-CA 3.37Å; T396-L400 HydrophobicContact CG2-CD2 4.19Å; R398-L400 PolarHBondContact O-N 3.05Å; R398-L400 VanDerWaalsContact O-N 3.12Å; L400-V402 HydrophobicContact CD1-CG2 4.1Å; L400-V402 HydrophobicContact CD2-CG2 4.07Å; L400-V402 HydrophobicContact CG-CG2 3.79Å; L400-P422 PolarHBondContact N-O 3.41Å; L400-F423 HydrophobicContact CB-CD2 3.99Å; L400-F423 HydrophobicContact CB-CE2 4.48Å; L400-F423 HydrophobicContact CD2-CD2 4.09Å; L400-F423 HydrophobicContact CD2-CE2 3.79Å; L400-F423 HydrophobicContact CG-CD2 4.04Å; L400-F423 HydrophobicContact CG-CE2 4.02Å; L400-F423 WeakPolarHBondContact O-CA 3.3Å; L400-F423 WeakPolarHBondContact O-CD2 3.36Å; L400-V424 PolarHBondContact O-N 3.39Å |
| 401 | F | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.5 | 177.2 | -161.1 | -75.5 | 0 | 0 | 0 | 109.4 | L330 L331 L332 I403 V424 L426 F502 L508 I511 I512 | L330-F401 PolarHBondContact O-N 3.38Å; L331-F401 CarbonylContact C-O 3.57Å; L331-F401 VanDerWaalsContact CA-O 3.22Å; L331-F401 WeakPolarHBondContact CA-O 3.33Å; L331-F401 HydrophobicContact CB-CB 4.43Å; L331-F401 HydrophobicContact CD1-CB 4.48Å; L331-F401 HydrophobicContact CD1-CD1 3.86Å; L331-F401 HydrophobicContact CD1-CG 4.4Å; L331-F401 HydrophobicContact CG-CB 4.44Å; L331-F401 HydrophobicContact CG-CD1 4.28Å; L332-F401 PolarHBondContact N-O 3.29Å; F401-I403 HydrophobicContact CD1-CD1 4.45Å; F401-I403 HydrophobicContact CD1-CG1 4.05Å; F401-I403 HydrophobicContact CE1-CD1 4.18Å; F401-I403 HydrophobicContact CE1-CG1 3.85Å; F401-V424 CarbonylContact C-O 3.53Å; F401-V424 HydrophobicContact CD2-CB 3.9Å; F401-V424 HydrophobicContact CD2-CG1 4.11Å; F401-V424 HydrophobicContact CE1-CG1 4.43Å; F401-V424 HydrophobicContact CE2-CB 3.86Å; F401-V424 HydrophobicContact CE2-CG1 3.6Å; F401-V424 HydrophobicContact CE2-CG2 4.49Å; F401-V424 HydrophobicContact CZ-CB 4.48Å; F401-V424 HydrophobicContact CZ-CG1 3.79Å; F401-L426 HydrophobicContact CE1-CD1 3.71Å; F401-L426 HydrophobicContact CE1-CG 3.89Å; F401-L426 HydrophobicContact CZ-CD1 3.69Å; F401-L426 HydrophobicContact CZ-CG 3.91Å; F401-F502 HydrophobicContact CB-CZ 4.37Å; F401-F502 HydrophobicContact CD2-CB 4.25Å; F401-F502 HydrophobicContact CD2-CD1 4.34Å; F401-F502 AromaticContact CD2-CD2 3.58Å; F401-F502 HydrophobicContact CD2-CD2 3.58Å; F401-F502 AromaticContact CD2-CE2 3.87Å; F401-F502 HydrophobicContact CD2-CE2 3.87Å; F401-F502 AromaticContact CD2-CG 3.82Å; F401-F502 HydrophobicContact CD2-CG 3.82Å; F401-F502 HydrophobicContact CD2-CZ 4.35Å; F401-F502 HydrophobicContact CE2-CB 4.3Å; F401-F502 HydrophobicContact CE2-CD2 4.05Å; F401-F502 HydrophobicContact CE2-CG 4.31Å; F401-L508 HydrophobicContact CB-CD2 4.02Å; F401-L508 HydrophobicContact CD1-CD2 4.21Å; F401-L508 HydrophobicContact CD2-CD1 4.41Å; F401-L508 HydrophobicContact CD2-CD2 3.9Å; F401-L508 HydrophobicContact CE2-CD2 4.43Å; F401-L508 HydrophobicContact CG-CD2 3.78Å; F401-I511 HydrophobicContact CE1-CG2 3.87Å; F401-I511 HydrophobicContact CZ-CG2 4.07Å; F401-I512 HydrophobicContact CE2-CD1 4.01Å; F401-I512 HydrophobicContact CE2-CG1 3.86Å; F401-I512 HydrophobicContact CZ-CD1 4.5Å; F401-I512 HydrophobicContact CZ-CG1 3.85Å |
| 402 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.7 | -174.4 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | L332 L392 L400 V404 F423 V424 C425 L426 | L332-V402 CarbonylContact O-C 3.59Å; L332-V402 WeakPolarHBondContact O-CA 3.25Å; L392-V402 HydrophobicContact CD1-CG1 4.13Å; L392-V402 HydrophobicContact CD1-CG2 4.15Å; L400-V402 HydrophobicContact CD1-CG2 4.1Å; L400-V402 HydrophobicContact CD2-CG2 4.07Å; L400-V402 HydrophobicContact CG-CG2 3.79Å; V402-V404 HydrophobicContact CG1-CG2 3.74Å; V402-F423 HydrophobicContact CG2-CE2 3.79Å; V402-F423 HydrophobicContact CG2-CZ 4.41Å; V402-V424 PolarHBondContact N-O 3.04Å; V402-C425 CarbonylContact O-C 3.56Å; V402-C425 VanDerWaalsContact O-CA 3.29Å; V402-C425 WeakPolarHBondContact O-CA 3.5Å; V402-L426 PolarHBondContact O-N 3.12Å |
| 403 | I | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.8 | 172.3 | -54.4 | 171.8 | 0 | 0 | 0 | 107.2 | M256 F260 L331 L332 Y333 I334 F401 L426 F446 L450 I511 | M256-I403 HydrophobicContact CE-CD1 4.44Å; F260-I403 HydrophobicContact CZ-CD1 4.5Å; L331-I403 HydrophobicContact CD1-CD1 4.15Å; L331-I403 HydrophobicContact CD2-CD1 4.41Å; L332-I403 PolarHBondContact O-N 3.03Å; Y333-I403 HydrophobicContact CD2-CB 3.91Å; Y333-I403 HydrophobicContact CD2-CD1 4.44Å; Y333-I403 HydrophobicContact CD2-CG2 3.75Å; Y333-I403 HydrophobicContact CE2-CG2 4.14Å; I334-I403 PolarHBondContact N-O 2.61Å; F401-I403 HydrophobicContact CD1-CD1 4.45Å; F401-I403 HydrophobicContact CD1-CG1 4.05Å; F401-I403 HydrophobicContact CE1-CD1 4.18Å; F401-I403 HydrophobicContact CE1-CG1 3.85Å; I403-L426 CarbonylContact C-O 3.52Å; I403-L426 WeakPolarHBondContact CA-O 3.34Å; I403-L426 HydrophobicContact CG1-CB 4.43Å; I403-F446 HydrophobicContact CG2-CE1 3.86Å; I403-L450 HydrophobicContact CD1-CD1 4.25Å; I403-L450 HydrophobicContact CG2-CD1 3.67Å; I403-I511 HydrophobicContact CD1-CG2 3.85Å |
| 404 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 110.6 | 178.6 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | V362 V402 S409 F412 L426 L427 S428 | V362-V404 HydrophobicContact CG1-CG1 3.96Å; V402-V404 HydrophobicContact CG1-CG2 3.74Å; V404-S409 WeakPolarHBondContact O-CB 3.28Å; V404-F412 HydrophobicContact CG1-CD2 4.15Å; V404-F412 HydrophobicContact CG1-CE2 4.21Å; V404-F412 HydrophobicContact CG2-CB 4.3Å; V404-F412 HydrophobicContact CG2-CD1 4.16Å; V404-F412 HydrophobicContact CG2-CD2 4.14Å; V404-F412 HydrophobicContact CG2-CG 3.94Å; V404-L426 PolarHBondContact N-O 3.32Å; V404-L427 HydrophobicContact CB-CD2 3.96Å; V404-L427 HydrophobicContact CG2-CD2 4.04Å; V404-S428 PolarHBondContact O-N 2.79Å; V404-S428 PolarHBondContact O-OG 3.29Å |
| 405 | D | 97.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 94.8 | 171.2 | -154.8 | -19.5 | 0 | 0 | 0 | 109.1 | I334 S335 A336 S428 N444 F446 T447 | I334-D405 PolarHBondContact O-N 3.18Å; S335-D405 WeakPolarHBondContact CA-O 3.22Å; A336-D405 PolarHBondContact N-O 3.01Å; A336-D405 VanDerWaalsContact N-O 3.12Å; D405-S428 VanDerWaalsContact OD1-CB 3.29Å; D405-S428 WeakPolarHBondContact OD1-CB 3.28Å; D405-N444 VanDerWaalsContact CG-CB 3.48Å; D405-N444 WeakPolarHBondContact OD2-CB 3.09Å; D405-F446 HydrophobicContact CB-CD1 4.19Å; D405-T447 WeakPolarHBondContact OD2-CB 3.31Å; D405-T447 PolarHBondContact OD2-N 2.82Å; D405-T447 PolarHBondContact OD2-OG1 3.44Å |
| 406 | S | 95.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -160 | 149.9 | -174.4 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | A336 G338 N408 S409 S428 | A336-S406 WeakPolarHBondContact O-CA 3.42Å; A336-S406 WeakPolarHBondContact O-CB 3.25Å; A336-S406 PolarHBondContact O-OG 3.42Å; G338-S406 WeakPolarHBondContact CA-OG 3.48Å; G338-S406 PolarHBondContact N-OG 3.19Å; S406-N408 PolarHBondContact O-N 2.84Å; S406-N408 PolarHBondContact OG-N 2.92Å; S406-S409 VanDerWaalsContact O-CB 3.24Å; S406-S409 WeakPolarHBondContact O-CB 3.46Å; S406-S409 PolarHBondContact O-N 3.49Å; S406-S409 VanDerWaalsContact O-N 3.11Å; S406-S409 PolarHBondContact O-OG 2.82Å; S406-S428 PolarHBondContact N-OG 3.17Å; S406-S428 PolarHBondContact O-OG 2.83Å |
| 407 | D | 92.5 | Very high | 94.5 | Very high | 42 Ų | 42 | 32 Ų | 32 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.5 | 172.2 | 75.1 | -54.2 | 0 | 0 | 0 | 112.8 | G338 R340 | G338-D407 VanDerWaalsContact CA-OD1 3.26Å; G338-D407 WeakPolarHBondContact CA-OD1 3.47Å; G338-D407 PolarHBondContact N-OD1 3.09Å; R340-D407 IonicContact CZ-OD2 3.27Å; R340-D407 IonicContact NE-OD2 3.72Å; R340-D407 IonicContact NH2-OD2 3.05Å; R340-D407 PolarHBondContact NH2-OD2 2.73Å |
| 408 | N | 94.3 | Very high | 94.2 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 16.9 | 172.9 | -160.6 | 44 | 0 | 0 | 0 | 113.7 | V339 Y359 G361 S406 A410 T411 | V339-N408 PolarHBondContact O-ND2 3.3Å; Y359-N408 PolarHBondContact O-ND2 2.89Å; G361-N408 PolarHBondContact N-ND2 3.2Å; G361-N408 PolarHBondContact O-ND2 2.94Å; G361-N408 VanDerWaalsContact O-ND2 3.1Å; S406-N408 PolarHBondContact O-N 2.84Å; S406-N408 PolarHBondContact OG-N 2.92Å; N408-A410 PolarHBondContact O-N 2.97Å; N408-T411 WeakPolarHBondContact ND2-CG2 3.45Å; N408-T411 WeakPolarHBondContact O-CG2 3.48Å; N408-T411 PolarHBondContact O-N 2.73Å; N408-T411 PolarHBondContact O-OG1 3.33Å; N408-T411 VanDerWaalsContact OD1-CG2 3.28Å; N408-T411 WeakPolarHBondContact OD1-CG2 3.43Å |
| 409 | S | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -56.3 | -33.9 | -177.3 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | V404 S406 T411 F412 L427 S428 | V404-S409 WeakPolarHBondContact O-CB 3.28Å; S406-S409 VanDerWaalsContact O-CB 3.24Å; S406-S409 WeakPolarHBondContact O-CB 3.46Å; S406-S409 PolarHBondContact O-N 3.49Å; S406-S409 VanDerWaalsContact O-N 3.11Å; S406-S409 PolarHBondContact O-OG 2.82Å; S409-T411 PolarHBondContact O-N 3.48Å; S409-F412 WeakPolarHBondContact O-CB 3.48Å; S409-F412 WeakPolarHBondContact O-CD2 3.44Å; S409-F412 PolarHBondContact O-N 3.43Å; S409-L427 WeakPolarHBondContact O-CD2 3.44Å; S409-S428 PolarHBondContact OG-O 3.15Å; S409-S428 PolarHBondContact OG-OG 3.29Å |
| 410 | A | 94.2 | Very high | 93.9 | Very high | 23 Ų | 23 | 35 Ų | 35 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -58.3 | -19.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N408 F412 R413 K430 | N408-A410 PolarHBondContact O-N 2.97Å; A410-F412 PolarHBondContact O-N 3.34Å; A410-R413 VanDerWaalsContact O-CB 3.24Å; A410-R413 WeakPolarHBondContact O-CB 3.48Å; A410-R413 PolarHBondContact O-N 2.93Å; A410-K430 HydrophobicContact CB-CD 4.44Å; A410-K430 HydrophobicContact CB-CG 4.47Å |
| 411 | T | 92.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -64.5 | -26.6 | 176 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | Y359 P389 N408 S409 R413 | Y359-T411 WeakPolarHBondContact O-CG2 3.32Å; P389-T411 VanDerWaalsContact CG-O 3.31Å; P389-T411 WeakPolarHBondContact CG-O 3.43Å; N408-T411 WeakPolarHBondContact ND2-CG2 3.45Å; N408-T411 WeakPolarHBondContact O-CG2 3.48Å; N408-T411 PolarHBondContact O-N 2.73Å; N408-T411 PolarHBondContact O-OG1 3.33Å; N408-T411 VanDerWaalsContact OD1-CG2 3.28Å; N408-T411 WeakPolarHBondContact OD1-CG2 3.43Å; S409-T411 PolarHBondContact O-N 3.48Å; T411-R413 PolarHBondContact O-N 3.26Å |
| 412 | F | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -78.5 | -4.4 | 177.7 | -68.4 | -100.1 | 0 | 0 | 0 | 113.5 | V362 I387 P389 L392 V404 S409 A410 N414 I415 L427 | V362-F412 HydrophobicContact CG1-CE2 4.09Å; V362-F412 HydrophobicContact CG1-CZ 4.46Å; V362-F412 HydrophobicContact CG2-CZ 4.35Å; I387-F412 WeakPolarHBondContact O-CZ 3.37Å; P389-F412 HydrophobicContact CB-CD1 4.17Å; P389-F412 HydrophobicContact CB-CE1 4.47Å; P389-F412 HydrophobicContact CB-CG 4.45Å; P389-F412 HydrophobicContact CG-CD1 4.07Å; P389-F412 HydrophobicContact CG-CD2 4.15Å; P389-F412 HydrophobicContact CG-CE1 4.23Å; P389-F412 HydrophobicContact CG-CE2 4.3Å; P389-F412 HydrophobicContact CG-CG 4.02Å; P389-F412 HydrophobicContact CG-CZ 4.34Å; L392-F412 HydrophobicContact CD1-CD1 3.88Å; L392-F412 HydrophobicContact CD1-CE1 3.9Å; L392-F412 HydrophobicContact CG-CE1 4.48Å; V404-F412 HydrophobicContact CG1-CD2 4.15Å; V404-F412 HydrophobicContact CG1-CE2 4.21Å; V404-F412 HydrophobicContact CG2-CB 4.3Å; V404-F412 HydrophobicContact CG2-CD1 4.16Å; V404-F412 HydrophobicContact CG2-CD2 4.14Å; V404-F412 HydrophobicContact CG2-CG 3.94Å; S409-F412 WeakPolarHBondContact O-CB 3.48Å; S409-F412 WeakPolarHBondContact O-CD2 3.44Å; S409-F412 PolarHBondContact O-N 3.43Å; A410-F412 PolarHBondContact O-N 3.34Å; F412-N414 VanDerWaalsContact C-N 3.29Å; F412-N414 PolarHBondContact O-N 2.86Å; F412-I415 HydrophobicContact CB-CD1 4.29Å; F412-I415 HydrophobicContact CD1-CD1 3.96Å; F412-L427 HydrophobicContact CB-CD2 3.8Å |
| 413 | R | 92.6 | Very high | 93.6 | Very high | 102 Ų | 102 | 38.8 Ų | 38.8 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -63.5 | -33.5 | -177.7 | -169.9 | 176.5 | -172.5 | 163.8 | 1.1 | 113.3 | A410 T411 L427 S538 | A410-R413 VanDerWaalsContact O-CB 3.24Å; A410-R413 WeakPolarHBondContact O-CB 3.48Å; A410-R413 PolarHBondContact O-N 2.93Å; T411-R413 PolarHBondContact O-N 3.26Å; R413-L427 HydrophobicContact CB-CD1 3.74Å; R413-L427 HydrophobicContact CG-CD1 4.37Å; R413-S538 WeakPolarHBondContact O-CB 3.46Å; R413-S538 PolarHBondContact O-OG 2.93Å |
| 414 | N | 84.5 | Confident | 93.6 | Very high | 128 Ų | 128 | 38.8 Ų | 38.8 | 68% | 0.684 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -107.4 | 33.8 | -168.1 | -60.9 | -26.4 | 0 | 0 | 0 | 112.7 | F412 P416 | F412-N414 VanDerWaalsContact C-N 3.29Å; F412-N414 PolarHBondContact O-N 2.86Å; N414-P416 WeakPolarHBondContact O-CD 3.32Å |
| 415 | I | 91.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | trans | -71.6 | 119.7 | 172.1 | -64.4 | 169 | 0 | 0 | 0 | 108.2 | P389 L392 L393 T396 F412 F423 | P389-I415 HydrophobicContact CB-CD1 4Å; P389-I415 HydrophobicContact CB-CG1 3.71Å; L392-I415 HydrophobicContact CB-CD1 4.32Å; L392-I415 HydrophobicContact CD1-CD1 4Å; L393-I415 HydrophobicContact CD2-CG2 3.85Å; T396-I415 HydrophobicContact CG2-CG2 4.29Å; F412-I415 HydrophobicContact CB-CD1 4.29Å; F412-I415 HydrophobicContact CD1-CD1 3.96Å; I415-F423 HydrophobicContact CB-CE1 3.81Å; I415-F423 HydrophobicContact CB-CZ 3.92Å; I415-F423 HydrophobicContact CD1-CZ 3.9Å; I415-F423 HydrophobicContact CG2-CE1 3.94Å; I415-F423 HydrophobicContact CG2-CZ 3.87Å | ||
| 416 | P | 88.6 | Confident | 93.6 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | trans | -68 | 134 | -179.7 | 26.9 | -35.6 | 0 | 0 | 0 | 111.7 | L393 N414 L418 | L393-P416 HydrophobicContact CD2-CG 3.66Å; N414-P416 WeakPolarHBondContact O-CD 3.32Å; P416-L418 VanDerWaalsContact C-N 3.35Å; P416-L418 HydrophobicContact CB-CD2 3.88Å; P416-L418 HydrophobicContact CB-CG 4.05Å; P416-L418 HydrophobicContact CG-CD1 4.38Å; P416-L418 HydrophobicContact CG-CD2 4.26Å; P416-L418 HydrophobicContact CG-CG 4.13Å; P416-L418 PolarHBondContact O-N 3.05Å; P416-L418 VanDerWaalsContact O-N 3.09Å | ||
| 417 | N | 86.7 | Confident | 93.7 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | trans | -83.2 | 77.5 | 172.8 | -171.3 | -3.4 | 0 | 0 | 0 | 110.8 | F419 G420 Q421 | N417-F419 VanDerWaalsContact C-N 3.33Å; N417-F419 PolarHBondContact O-N 3.1Å; N417-G420 PolarHBondContact OD1-N 3.02Å; N417-Q421 PolarHBondContact ND2-O 2.98Å; N417-Q421 PolarHBondContact OD1-O 3.07Å | ||
| 418 | L | 90.8 | Very high | 94 | Very high | 114 Ų | 114 | 36.6 Ų | 36.6 | 60% | 0.597 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -19 | -172.8 | -61.5 | 176.8 | 0 | 0 | 0 | 114.5 | L393 P416 | L393-L418 HydrophobicContact CD2-CD1 4.27Å; P416-L418 VanDerWaalsContact C-N 3.35Å; P416-L418 HydrophobicContact CB-CD2 3.88Å; P416-L418 HydrophobicContact CB-CG 4.05Å; P416-L418 HydrophobicContact CG-CD1 4.38Å; P416-L418 HydrophobicContact CG-CD2 4.26Å; P416-L418 HydrophobicContact CG-CG 4.13Å; P416-L418 PolarHBondContact O-N 3.05Å; P416-L418 VanDerWaalsContact O-N 3.09Å |
| 419 | F | 93.9 | Very high | 94.1 | Very high | 77 Ų | 77 | 36.1 Ų | 36.1 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 1.3 | -172.2 | -56.6 | -75.6 | 0 | 0 | 0 | 113.8 | T396 R397 N417 Q421 | T396-F419 VanDerWaalsContact OG1-CD2 3.28Å; T396-F419 WeakPolarHBondContact OG1-CD2 3.32Å; R397-F419 HydrophobicContact CB-CD2 4.4Å; R397-F419 HydrophobicContact CB-CG 4.4Å; R397-F419 HydrophobicContact CG-CD1 3.72Å; R397-F419 HydrophobicContact CG-CD2 3.6Å; R397-F419 HydrophobicContact CG-CE1 3.77Å; R397-F419 HydrophobicContact CG-CE2 3.66Å; R397-F419 HydrophobicContact CG-CG 3.65Å; R397-F419 HydrophobicContact CG-CZ 3.77Å; R397-F419 VanDerWaalsContact NH2-CZ 3.31Å; N417-F419 VanDerWaalsContact C-N 3.33Å; N417-F419 PolarHBondContact O-N 3.1Å; F419-Q421 HydrophobicContact CB-CG 4.34Å; F419-Q421 PolarHBondContact O-N 3.45Å; F419-Q421 VanDerWaalsContact O-N 3.15Å |
| 420 | G | 92.7 | Very high | 94 | Very high | 57 Ų | 57 | 41.7 Ų | 41.7 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | trans | 64.2 | 16.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N417 | N417-G420 PolarHBondContact OD1-N 3.02Š| ||
| 421 | Q | 95.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | trans | -83.5 | 153.8 | 175.3 | -65.6 | -67 | -48.4 | 0 | 0 | 110 | T396 R397 N417 F419 F423 | T396-Q421 WeakPolarHBondContact O-CB 3.48Å; R397-Q421 WeakPolarHBondContact O-CG 3.19Å; N417-Q421 PolarHBondContact ND2-O 2.98Å; N417-Q421 PolarHBondContact OD1-O 3.07Å; F419-Q421 HydrophobicContact CB-CG 4.34Å; F419-Q421 PolarHBondContact O-N 3.45Å; F419-Q421 VanDerWaalsContact O-N 3.15Å; Q421-F423 PolarHBondContact O-N 3.35Å; Q421-F423 VanDerWaalsContact O-N 3.16Å | ||
| 422 | P | 96.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.045 | 23% | 0.234 | C | C | . | . | trans | -54.3 | 121.2 | 172.5 | -29.1 | 38.7 | 0 | 0 | 0 | 111.1 | L229 P399 L400 Y497 Q501 F502 | L229-P422 HydrophobicContact CD1-CB 4.22Å; L229-P422 HydrophobicContact CD1-CG 4.11Å; P399-P422 VanDerWaalsContact CA-O 3.31Å; P399-P422 WeakPolarHBondContact CA-O 3.35Å; P399-P422 HydrophobicContact CB-CB 4.3Å; L400-P422 PolarHBondContact N-O 3.41Å; P422-Y497 HydrophobicContact CG-CE1 4.01Å; P422-Q501 HydrophobicContact CB-CB 4.19Å; P422-Q501 HydrophobicContact CG-CB 3.96Å; P422-Q501 HydrophobicContact CG-CG 3.83Å; P422-F502 HydrophobicContact CB-CE1 4.12Å; P422-F502 HydrophobicContact CB-CE2 3.96Å; P422-F502 HydrophobicContact CB-CZ 3.7Å; P422-F502 WeakPolarHBondContact O-CZ 3.42Å | ||
| 423 | F | 97.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 127.3 | -179.8 | 177.8 | -111.4 | 0 | 0 | 0 | 109.8 | T396 L400 V402 I415 Q421 C425 S498 P539 | T396-F423 HydrophobicContact CG2-CD2 4.03Å; T396-F423 HydrophobicContact CG2-CE2 4.04Å; T396-F423 HydrophobicContact CG2-CG 4.47Å; T396-F423 HydrophobicContact CG2-CZ 4.48Å; L400-F423 HydrophobicContact CB-CD2 3.99Å; L400-F423 HydrophobicContact CB-CE2 4.48Å; L400-F423 HydrophobicContact CD2-CD2 4.09Å; L400-F423 HydrophobicContact CD2-CE2 3.79Å; L400-F423 HydrophobicContact CG-CD2 4.04Å; L400-F423 HydrophobicContact CG-CE2 4.02Å; L400-F423 WeakPolarHBondContact O-CA 3.3Å; L400-F423 WeakPolarHBondContact O-CD2 3.36Å; V402-F423 HydrophobicContact CG2-CE2 3.79Å; V402-F423 HydrophobicContact CG2-CZ 4.41Å; I415-F423 HydrophobicContact CB-CE1 3.81Å; I415-F423 HydrophobicContact CB-CZ 3.92Å; I415-F423 HydrophobicContact CD1-CZ 3.9Å; I415-F423 HydrophobicContact CG2-CE1 3.94Å; I415-F423 HydrophobicContact CG2-CZ 3.87Å; Q421-F423 PolarHBondContact O-N 3.35Å; Q421-F423 VanDerWaalsContact O-N 3.16Å; F423-C425 WeakPolarHBondContact CZ-SG 3.5Å; F423-S498 PolarHBondContact N-OG 2.9Å; F423-S498 WeakPolarHBondContact O-CB 3.45Å; F423-P539 WeakPolarHBondContact O-CD 3.36Å |
| 424 | V | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 136.5 | 176.9 | 166.5 | 0 | 0 | 0 | 0 | 109.3 | L400 F401 V402 L426 Y499 F502 S538 | L400-V424 PolarHBondContact O-N 3.39Å; F401-V424 CarbonylContact C-O 3.53Å; F401-V424 HydrophobicContact CD2-CB 3.9Å; F401-V424 HydrophobicContact CD2-CG1 4.11Å; F401-V424 HydrophobicContact CE1-CG1 4.43Å; F401-V424 HydrophobicContact CE2-CB 3.86Å; F401-V424 HydrophobicContact CE2-CG1 3.6Å; F401-V424 HydrophobicContact CE2-CG2 4.49Å; F401-V424 HydrophobicContact CZ-CB 4.48Å; F401-V424 HydrophobicContact CZ-CG1 3.79Å; V402-V424 PolarHBondContact N-O 3.04Å; V424-L426 HydrophobicContact CG1-CD2 3.94Å; V424-L426 HydrophobicContact CG1-CG 4.25Å; V424-Y499 HydrophobicContact CB-CE1 4.37Å; V424-Y499 HydrophobicContact CG1-CD1 4.48Å; V424-Y499 HydrophobicContact CG1-CE1 3.64Å; V424-Y499 HydrophobicContact CG2-CD1 3.89Å; V424-Y499 HydrophobicContact CG2-CE1 3.68Å; V424-Y499 HydrophobicContact CG2-CE2 4.36Å; V424-Y499 HydrophobicContact CG2-CG 4.31Å; V424-F502 HydrophobicContact CB-CD2 3.99Å; V424-F502 HydrophobicContact CB-CE2 3.89Å; V424-F502 HydrophobicContact CG2-CD2 3.59Å; V424-F502 HydrophobicContact CG2-CE2 3.75Å; V424-S538 CarbonylContact C-O 3.49Å; V424-S538 WeakPolarHBondContact CA-O 3.41Å |
| 425 | C | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.4 | 167.6 | -75 | 0 | 0 | 0 | 0 | 109.9 | V402 F423 L427 C537 S538 | V402-C425 CarbonylContact O-C 3.56Å; V402-C425 VanDerWaalsContact O-CA 3.29Å; V402-C425 WeakPolarHBondContact O-CA 3.5Å; F423-C425 WeakPolarHBondContact CZ-SG 3.5Å; C425-L427 HydrophobicContact CB-CD2 4.08Å; C425-L427 HydrophobicContact CB-CG 4.41Å; C425-C537 CarbonylContact O-C 3.52Å; C425-C537 WeakPolarHBondContact O-CA 3.39Å; C425-C537 WeakPolarHBondContact O-CB 3.47Å; C425-S538 PolarHBondContact N-O 3.46Å; C425-S538 PolarHBondContact O-N 3.39Å |
| 426 | L | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.2 | 166.4 | -54.7 | -174.5 | 0 | 0 | 0 | 109.2 | F401 V402 I403 V404 V424 F446 I511 Y515 C537 | F401-L426 HydrophobicContact CE1-CD1 3.71Å; F401-L426 HydrophobicContact CE1-CG 3.89Å; F401-L426 HydrophobicContact CZ-CD1 3.69Å; F401-L426 HydrophobicContact CZ-CG 3.91Å; V402-L426 PolarHBondContact O-N 3.12Å; I403-L426 CarbonylContact C-O 3.52Å; I403-L426 WeakPolarHBondContact CA-O 3.34Å; I403-L426 HydrophobicContact CG1-CB 4.43Å; V404-L426 PolarHBondContact N-O 3.32Å; V424-L426 HydrophobicContact CG1-CD2 3.94Å; V424-L426 HydrophobicContact CG1-CG 4.25Å; L426-F446 HydrophobicContact CB-CZ 4.17Å; L426-I511 HydrophobicContact CD1-CG2 3.65Å; L426-Y515 HydrophobicContact CB-CD2 4Å; L426-Y515 HydrophobicContact CB-CE2 4.32Å; L426-Y515 HydrophobicContact CD1-CD2 4.05Å; L426-Y515 HydrophobicContact CD1-CG 4.1Å; L426-Y515 HydrophobicContact CD2-CD1 4.29Å; L426-Y515 HydrophobicContact CD2-CD2 3.81Å; L426-Y515 HydrophobicContact CD2-CE2 4.07Å; L426-Y515 HydrophobicContact CD2-CG 3.93Å; L426-Y515 HydrophobicContact CG-CD2 4.18Å; L426-C537 HydrophobicContact CD2-CB 3.83Å |
| 427 | L | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.6 | -167.8 | -48.9 | 175 | 0 | 0 | 0 | 109.5 | V404 S409 F412 R413 C425 P535 S536 | V404-L427 HydrophobicContact CB-CD2 3.96Å; V404-L427 HydrophobicContact CG2-CD2 4.04Å; S409-L427 WeakPolarHBondContact O-CD2 3.44Å; F412-L427 HydrophobicContact CB-CD2 3.8Å; R413-L427 HydrophobicContact CB-CD1 3.74Å; R413-L427 HydrophobicContact CG-CD1 4.37Å; C425-L427 HydrophobicContact CB-CD2 4.08Å; C425-L427 HydrophobicContact CB-CG 4.41Å; L427-P535 CarbonylContact O-C 3.51Å; L427-P535 VanDerWaalsContact O-CA 3.25Å; L427-P535 WeakPolarHBondContact O-CA 3.39Å; L427-P535 VanDerWaalsContact O-CB 3.28Å; L427-P535 WeakPolarHBondContact O-CB 3.34Å; L427-S536 WeakPolarHBondContact CA-O 3.33Å; L427-S536 WeakPolarHBondContact CB-O 3Å; L427-S536 PolarHBondContact N-O 3.08Å; L427-S536 PolarHBondContact O-N 3.48Å |
| 428 | S | 98 | Very high | 94.2 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | trans | -60.7 | 160.1 | 177.1 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | V404 D405 S406 S409 | V404-S428 PolarHBondContact O-N 2.79Å; V404-S428 PolarHBondContact O-OG 3.29Å; D405-S428 VanDerWaalsContact OD1-CB 3.29Å; D405-S428 WeakPolarHBondContact OD1-CB 3.28Å; S406-S428 PolarHBondContact N-OG 3.17Å; S406-S428 PolarHBondContact O-OG 2.83Å; S409-S428 PolarHBondContact OG-O 3.15Å; S409-S428 PolarHBondContact OG-OG 3.29Å | ||
| 429 | P | 96.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -54 | 148.6 | 164.5 | -23.2 | 34.3 | 0 | 0 | 0 | 111.9 | L522 P535 | P429-L522 HydrophobicContact CG-CD1 3.89Å; P429-P535 HydrophobicContact CG-CB 4.38Å | ||
| 430 | K | 92.8 | Very high | 93.9 | Very high | 118 Ų | 118 | 49.2 Ų | 49.2 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -76.2 | -29.8 | 173.3 | -67.2 | -178 | 177.6 | -177.9 | 0 | 112.3 | A410 S532 | A410-K430 HydrophobicContact CB-CD 4.44Å; A410-K430 HydrophobicContact CB-CG 4.47Å; K430-S532 PolarHBondContact N-O 2.81Å |
| 431 | V | 93.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 38% | 0.382 | 25% | 0.247 | S | C | . | . | trans | -134.4 | 140.3 | -175.4 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | S532 F533 | V431-S532 PolarHBondContact N-O 2.8Å; V431-F533 HydrophobicContact CB-CD1 4.38Å; V431-F533 HydrophobicContact CB-CE1 4.2Å; V431-F533 HydrophobicContact CB-CE2 4.43Å; V431-F533 HydrophobicContact CB-CZ 4.24Å; V431-F533 HydrophobicContact CG1-CD1 4.28Å; V431-F533 HydrophobicContact CG1-CE1 3.63Å; V431-F533 HydrophobicContact CG1-CE2 4.22Å; V431-F533 HydrophobicContact CG1-CZ 3.61Å; V431-F533 WeakPolarHBondContact O-CA 3.25Å | ||
| 432 | I | 92.7 | Very high | 93.8 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | trans | -123.4 | 146.8 | 173.4 | -50.9 | 179.4 | 0 | 0 | 0 | 107 | L436 L445 F528 | I432-L436 HydrophobicContact CG2-CB 3.67Å; I432-L436 HydrophobicContact CG2-CD1 4.19Å; I432-L445 HydrophobicContact CD1-CB 4.22Å; I432-L445 HydrophobicContact CG2-CD2 4.02Å; I432-F528 HydrophobicContact CG2-CE1 4.48Å | ||
| 433 | P | 93.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 14% | 0.143 | 25% | 0.246 | C | C | . | . | trans | -55.1 | 141.7 | 177.1 | -28.5 | 36.6 | 0 | 0 | 0 | 112.9 | K435 L436 E437 S527 F528 F533 | P433-K435 VanDerWaalsContact C-N 3.27Å; P433-K435 PolarHBondContact O-N 2.92Å; P433-K435 VanDerWaalsContact O-N 3.1Å; P433-L436 WeakPolarHBondContact O-CA 3.48Å; P433-L436 WeakPolarHBondContact O-CB 3.46Å; P433-L436 PolarHBondContact O-N 2.94Å; P433-E437 PolarHBondContact O-N 2.63Å; P433-S527 WeakPolarHBondContact CG-O 3Å; P433-F528 HydrophobicContact CG-CD1 3.9Å; P433-F528 HydrophobicContact CG-CD2 4.3Å; P433-F528 HydrophobicContact CG-CE1 3.69Å; P433-F528 HydrophobicContact CG-CE2 4.12Å; P433-F528 HydrophobicContact CG-CG 4.19Å; P433-F528 HydrophobicContact CG-CZ 3.81Å; P433-F533 HydrophobicContact CG-CD1 4.29Å; P433-F533 HydrophobicContact CG-CE1 4.18Å | ||
| 434 | E | 92.1 | Very high | 93.6 | Very high | 175 Ų | 175 | 50.6 Ų | 50.6 | 82% | 0.818 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -51 | -41 | -172.1 | -172.7 | -179.4 | -175.4 | 0 | 0 | 114.1 | L436 E437 S438 | E434-L436 VanDerWaalsContact C-N 3.26Å; E434-L436 PolarHBondContact O-N 3.09Å; E434-E437 PolarHBondContact O-N 3.4Å; E434-S438 PolarHBondContact O-N 2.83Å |
| 435 | K | 89.7 | Confident | 93.5 | Very high | 184 Ų | 184 | 51.2 Ų | 51.2 | 80% | 0.8 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58 | -39 | 176.6 | -69 | -175.5 | 178.8 | 179.7 | 0 | 112.5 | P433 S438 | P433-K435 VanDerWaalsContact C-N 3.27Å; P433-K435 PolarHBondContact O-N 2.92Å; P433-K435 VanDerWaalsContact O-N 3.1Å; K435-S438 PolarHBondContact O-OG 2.94Å |
| 436 | L | 91.9 | Very high | 93.5 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 14% | 0.141 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -82.7 | -34.2 | 178.8 | -64.6 | 173.5 | 0 | 0 | 0 | 111.2 | I432 P433 E434 S438 Q439 R440 L445 L459 T460 F528 | I432-L436 HydrophobicContact CG2-CB 3.67Å; I432-L436 HydrophobicContact CG2-CD1 4.19Å; P433-L436 WeakPolarHBondContact O-CA 3.48Å; P433-L436 WeakPolarHBondContact O-CB 3.46Å; P433-L436 PolarHBondContact O-N 2.94Å; E434-L436 VanDerWaalsContact C-N 3.26Å; E434-L436 PolarHBondContact O-N 3.09Å; L436-S438 VanDerWaalsContact C-N 3.26Å; L436-S438 PolarHBondContact O-N 3.37Å; L436-Q439 PolarHBondContact O-N 2.83Å; L436-R440 PolarHBondContact O-N 3.2Å; L436-L445 HydrophobicContact CD1-CD2 4Å; L436-L459 HydrophobicContact CD2-CD1 4.17Å; L436-L459 HydrophobicContact CD2-CG 3.97Å; L436-T460 HydrophobicContact CD1-CG2 4.43Å; L436-F528 HydrophobicContact CD1-CE1 4.47Å; L436-F528 HydrophobicContact CD1-CE2 4.44Å; L436-F528 HydrophobicContact CD1-CZ 3.66Å |
| 437 | E | 89.7 | Confident | 93.4 | Very high | 69 Ų | 69 | 51.4 Ų | 51.4 | 32% | 0.322 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.4 | -38.5 | 175.1 | -167.8 | 64 | -159 | 0 | 0 | 111.4 | P433 E434 Q439 R440 | P433-E437 PolarHBondContact O-N 2.63Å; E434-E437 PolarHBondContact O-N 3.4Å; E437-Q439 PolarHBondContact O-N 3.29Å; E437-R440 WeakPolarHBondContact O-CB 3.35Å; E437-R440 PolarHBondContact O-N 2.95Å; E437-R440 WeakPolarHBondContact OE1-CD 3.37Å; E437-R440 IonicContact OE1-CZ 3.81Å; E437-R440 IonicContact OE1-NE 3.54Å; E437-R440 IonicContact OE1-NH1 2.67Å; E437-R440 PolarHBondContact OE1-NH1 2.77Å |
| 438 | S | 87.9 | Confident | 93.4 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 57% | 0.566 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.2 | 174.9 | 75.6 | 0 | 0 | 0 | 0 | 113.9 | E434 K435 L436 H441 | E434-S438 PolarHBondContact O-N 2.83Å; K435-S438 PolarHBondContact O-OG 2.94Å; L436-S438 VanDerWaalsContact C-N 3.26Å; L436-S438 PolarHBondContact O-N 3.37Å; S438-H441 PolarHBondContact O-CE1 3.44Å; S438-H441 VanDerWaalsContact O-CE1 3.3Å; S438-H441 PolarHBondContact O-ND1 2.79Å; S438-H441 VanDerWaalsContact O-ND1 3.12Å |
| 439 | Q | 88.8 | Confident | 93.3 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 27% | 0.271 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 5.3 | 179.6 | -57.2 | -170.8 | 12.1 | 0 | 0 | 113.3 | L436 E437 H441 R442 | L436-Q439 PolarHBondContact O-N 2.83Å; E437-Q439 PolarHBondContact O-N 3.29Å; Q439-H441 PolarHBondContact O-N 3.4Å; Q439-H441 VanDerWaalsContact O-N 3.14Å; Q439-R442 WeakPolarHBondContact O-CA 3.31Å; Q439-R442 WeakPolarHBondContact O-CB 3.49Å; Q439-R442 PolarHBondContact O-N 3.18Å |
| 440 | R | 89.7 | Confident | 93.4 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -58.6 | -28.8 | -176.2 | -175.4 | 171.7 | 175 | -161.2 | -10 | 114 | D337 L436 E437 R442 G443 N444 | D337-R440 IonicContact OD1-NH2 2.81Å; D337-R440 PolarHBondContact OD1-NH2 2.83Å; L436-R440 PolarHBondContact O-N 3.2Å; E437-R440 WeakPolarHBondContact O-CB 3.35Å; E437-R440 PolarHBondContact O-N 2.95Å; E437-R440 WeakPolarHBondContact OE1-CD 3.37Å; E437-R440 IonicContact OE1-CZ 3.81Å; E437-R440 IonicContact OE1-NE 3.54Å; E437-R440 IonicContact OE1-NH1 2.67Å; E437-R440 PolarHBondContact OE1-NH1 2.77Å; R440-R442 PolarHBondContact O-N 2.85Å; R440-R442 VanDerWaalsContact O-N 3.17Å; R440-G443 CarbonylContact O-C 3.56Å; R440-G443 PolarHBondContact O-N 3Å; R440-N444 PolarHBondContact NE-OD1 2.81Å |
| 441 | H | 91.6 | Very high | 93.6 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 39% | 0.394 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -58.6 | -24.9 | 172 | 66.1 | -82.4 | 0 | 0 | 0 | 112.7 | D242 I244 S438 Q439 G443 | D242-H441 WeakPolarHBondContact O-CA 3.48Å; D242-H441 WeakPolarHBondContact O-CB 3.5Å; I244-H441 WeakPolarHBondContact CG1-O 3.32Å; I244-H441 PolarHBondContact N-O 2.73Å; S438-H441 PolarHBondContact O-CE1 3.44Å; S438-H441 VanDerWaalsContact O-CE1 3.3Å; S438-H441 PolarHBondContact O-ND1 2.79Å; S438-H441 VanDerWaalsContact O-ND1 3.12Å; Q439-H441 PolarHBondContact O-N 3.4Å; Q439-H441 VanDerWaalsContact O-N 3.14Å; H441-G443 PolarHBondContact O-N 2.77Å |
| 442 | R | 93.7 | Very high | 93.7 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 26% | 0.26 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -84.2 | 15.7 | 173.8 | -53.6 | -180 | 71.2 | 178 | 3.2 | 113.3 | D192 S195 I244 L251 R255 Q439 R440 | D192-R442 PolarHBondContact O-NH2 3.04Å; S195-R442 PolarHBondContact O-NH2 3.12Å; I244-R442 HydrophobicContact CD1-CG 4.07Å; L251-R442 HydrophobicContact CD1-CB 4.43Å; L251-R442 WeakPolarHBondContact CD1-O 3.33Å; R255-R442 PolarHBondContact NH2-O 3.42Å; Q439-R442 WeakPolarHBondContact O-CA 3.31Å; Q439-R442 WeakPolarHBondContact O-CB 3.49Å; Q439-R442 PolarHBondContact O-N 3.18Å; R440-R442 PolarHBondContact O-N 2.85Å; R440-R442 VanDerWaalsContact O-N 3.17Å |
| 443 | G | 94 | Very high | 93.8 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | trans | 99.8 | 155.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D252 R440 H441 | D252-G443 VanDerWaalsContact OD1-CA 3.27Å; D252-G443 WeakPolarHBondContact OD1-CA 3.44Å; R440-G443 CarbonylContact O-C 3.56Å; R440-G443 PolarHBondContact O-N 3Å; H441-G443 PolarHBondContact O-N 2.77Å | ||
| 444 | N | 95.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | trans | -76.9 | 144.3 | -174.2 | -70.2 | -57.7 | 0 | 0 | 0 | 112.1 | D252 S335 D405 R440 F446 L448 | D252-N444 PolarHBondContact OD1-N 3.03Å; D252-N444 PolarHBondContact OD2-N 2.9Å; D252-N444 PolarHBondContact OD2-ND2 3.36Å; S335-N444 PolarHBondContact OG-ND2 3.44Å; S335-N444 VanDerWaalsContact OG-ND2 3.07Å; D405-N444 VanDerWaalsContact CG-CB 3.48Å; D405-N444 WeakPolarHBondContact OD2-CB 3.09Å; R440-N444 PolarHBondContact NE-OD1 2.81Å; N444-F446 PolarHBondContact O-N 2.98Å; N444-L448 PolarHBondContact O-N 3.02Å | ||
| 445 | L | 96.4 | Very high | 94 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 179.6 | 179.5 | 63.9 | 0 | 0 | 0 | 111.8 | I432 L436 L448 F449 L459 T460 L522 F528 | I432-L445 HydrophobicContact CD1-CB 4.22Å; I432-L445 HydrophobicContact CG2-CD2 4.02Å; L436-L445 HydrophobicContact CD1-CD2 4Å; L445-L448 WeakPolarHBondContact O-CB 3.12Å; L445-L448 PolarHBondContact O-N 3.19Å; L445-L448 VanDerWaalsContact O-N 3.16Å; L445-F449 HydrophobicContact CD1-CD2 4.08Å; L445-F449 HydrophobicContact CD1-CE2 3.78Å; L445-F449 HydrophobicContact CD2-CE2 4.29Å; L445-F449 HydrophobicContact CG-CD2 4Å; L445-F449 HydrophobicContact CG-CE2 3.87Å; L445-F449 WeakPolarHBondContact O-CD2 3.34Å; L445-F449 PolarHBondContact O-N 3.15Å; L445-L459 HydrophobicContact CD1-CD2 4.1Å; L445-T460 HydrophobicContact CD1-CG2 3.89Å; L445-T460 HydrophobicContact CD2-CG2 4.06Å; L445-L522 HydrophobicContact CD2-CD2 4.46Å; L445-F528 HydrophobicContact CD2-CE1 4.15Å; L445-F528 HydrophobicContact CD2-CZ 4.07Å |
| 446 | F | 98 | Very high | 94.4 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.5 | -49.6 | -179.5 | 177.5 | -117.5 | 0 | 0 | 0 | 111 | I403 D405 L426 N444 L448 F449 L450 Y515 P535 | I403-F446 HydrophobicContact CG2-CE1 3.86Å; D405-F446 HydrophobicContact CB-CD1 4.19Å; L426-F446 HydrophobicContact CB-CZ 4.17Å; N444-F446 PolarHBondContact O-N 2.98Å; F446-L448 VanDerWaalsContact C-N 3.27Å; F446-L448 PolarHBondContact O-N 2.93Å; F446-F449 WeakPolarHBondContact O-CB 3.29Å; F446-F449 PolarHBondContact O-N 3.1Å; F446-F449 VanDerWaalsContact O-N 3.12Å; F446-L450 HydrophobicContact CD1-CD1 4.29Å; F446-L450 HydrophobicContact CE1-CD1 3.79Å; F446-L450 HydrophobicContact CE2-CD1 4.38Å; F446-L450 HydrophobicContact CE2-CD2 4.36Å; F446-L450 HydrophobicContact CE2-CG 4.41Å; F446-L450 HydrophobicContact CZ-CD1 3.84Å; F446-L450 HydrophobicContact CZ-CD2 4.44Å; F446-L450 HydrophobicContact CZ-CG 4.34Å; F446-L450 WeakPolarHBondContact O-CG 3.35Å; F446-L450 PolarHBondContact O-N 3.35Å; F446-L450 VanDerWaalsContact O-N 3.09Å; F446-Y515 AromaticContact CE2-CD2 3.79Å; F446-Y515 HydrophobicContact CE2-CD2 3.79Å; F446-Y515 HydrophobicContact CE2-CE2 4.22Å; F446-Y515 AromaticContact CZ-CD2 3.94Å; F446-Y515 HydrophobicContact CZ-CD2 3.94Å; F446-Y515 HydrophobicContact CZ-CE2 4.36Å; F446-P535 HydrophobicContact CD2-CB 4.06Å; F446-P535 HydrophobicContact CE2-CB 3.75Å; F446-P535 HydrophobicContact CE2-CG 4.49Å |
| 447 | T | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55 | -40.8 | 171.1 | -67.3 | 0 | 0 | 0 | 0 | 112.8 | D252 R255 M256 Y333 D405 F449 L450 H451 | D252-T447 HydrophobicContact CB-CG2 3.98Å; R255-T447 HydrophobicContact CB-CG2 4.34Å; M256-T447 HydrophobicContact CG-CG2 3.93Å; M256-T447 HydrophobicContact SD-CG2 3.95Å; Y333-T447 HydrophobicContact CE2-CG2 4.41Å; Y333-T447 WeakPolarHBondContact OH-CB 3.35Å; Y333-T447 WeakPolarHBondContact OH-CG2 3.36Å; Y333-T447 PolarHBondContact OH-OG1 3.23Å; D405-T447 WeakPolarHBondContact OD2-CB 3.31Å; D405-T447 PolarHBondContact OD2-N 2.82Å; D405-T447 PolarHBondContact OD2-OG1 3.44Å; T447-F449 VanDerWaalsContact C-N 3.35Å; T447-F449 PolarHBondContact O-N 3.12Å; T447-L450 PolarHBondContact O-N 2.98Å; T447-H451 WeakPolarHBondContact O-CB 3.34Å; T447-H451 PolarHBondContact O-N 3.33Å |
| 448 | L | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.4 | -173.3 | 62.8 | 0 | 0 | 0 | 112.1 | I196 N444 L445 F446 H451 C452 T455 A456 L459 | I196-L448 HydrophobicContact CD1-CD1 3.68Å; I196-L448 HydrophobicContact CD1-CD2 3.46Å; I196-L448 VanDerWaalsContact CD1-CD2 3.46Å; I196-L448 HydrophobicContact CD1-CG 4.21Å; N444-L448 PolarHBondContact O-N 3.02Å; L445-L448 WeakPolarHBondContact O-CB 3.12Å; L445-L448 PolarHBondContact O-N 3.19Å; L445-L448 VanDerWaalsContact O-N 3.16Å; F446-L448 VanDerWaalsContact C-N 3.27Å; F446-L448 PolarHBondContact O-N 2.93Å; L448-H451 PolarHBondContact O-N 3.45Å; L448-C452 CarbonylContact O-C 3.59Å; L448-C452 PolarHBondContact O-N 3.12Å; L448-T455 HydrophobicContact CD1-CG2 4.12Å; L448-T455 HydrophobicContact CD2-CG2 4.33Å; L448-A456 HydrophobicContact CB-CB 4.22Å; L448-A456 HydrophobicContact CD2-CB 4.1Å; L448-A456 HydrophobicContact CG-CB 3.82Å; L448-L459 HydrophobicContact CD2-CB 4.27Å; L448-L459 HydrophobicContact CD2-CD2 3.6Å |
| 449 | F | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 173.8 | -89.5 | -76.3 | 0 | 0 | 0 | 112.2 | L445 F446 T447 H451 P453 A456 T460 F517 C518 V521 L522 | L445-F449 HydrophobicContact CD1-CD2 4.08Å; L445-F449 HydrophobicContact CD1-CE2 3.78Å; L445-F449 HydrophobicContact CD2-CE2 4.29Å; L445-F449 HydrophobicContact CG-CD2 4Å; L445-F449 HydrophobicContact CG-CE2 3.87Å; L445-F449 WeakPolarHBondContact O-CD2 3.34Å; L445-F449 PolarHBondContact O-N 3.15Å; F446-F449 WeakPolarHBondContact O-CB 3.29Å; F446-F449 PolarHBondContact O-N 3.1Å; F446-F449 VanDerWaalsContact O-N 3.12Å; T447-F449 VanDerWaalsContact C-N 3.35Å; T447-F449 PolarHBondContact O-N 3.12Å; F449-H451 VanDerWaalsContact C-N 3.27Å; F449-H451 PolarHBondContact O-N 3.26Å; F449-P453 WeakPolarHBondContact O-CD 3.39Å; F449-P453 WeakPolarHBondContact O-CG 3.34Å; F449-A456 HydrophobicContact CB-CB 4.05Å; F449-A456 HydrophobicContact CD1-CB 3.5Å; F449-A456 HydrophobicContact CD2-CB 3.57Å; F449-A456 HydrophobicContact CE1-CB 3.74Å; F449-A456 HydrophobicContact CE2-CB 3.79Å; F449-A456 HydrophobicContact CG-CB 3.41Å; F449-A456 VanDerWaalsContact CG-CB 3.41Å; F449-A456 HydrophobicContact CZ-CB 3.86Å; F449-T460 HydrophobicContact CE2-CG2 3.89Å; F449-T460 HydrophobicContact CZ-CG2 3.9Å; F449-F517 AromaticContact CD1-CD1 3.88Å; F449-F517 HydrophobicContact CD1-CD1 3.88Å; F449-F517 HydrophobicContact CD1-CE1 4.07Å; F449-F517 AromaticContact CE1-CD1 3.95Å; F449-F517 HydrophobicContact CE1-CD1 3.95Å; F449-F517 AromaticContact CE1-CE1 3.77Å; F449-F517 HydrophobicContact CE1-CE1 3.77Å; F449-C518 HydrophobicContact CB-CB 3.69Å; F449-C518 HydrophobicContact CD1-CB 3.89Å; F449-C518 HydrophobicContact CD2-CB 4.25Å; F449-C518 VanDerWaalsContact CD2-SG 3.52Å; F449-C518 HydrophobicContact CG-CB 3.69Å; F449-C518 VanDerWaalsContact CG-SG 3.58Å; F449-V521 HydrophobicContact CE1-CB 4.21Å; F449-V521 HydrophobicContact CE1-CG1 4.04Å; F449-V521 HydrophobicContact CE1-CG2 4.49Å; F449-V521 HydrophobicContact CZ-CB 4.32Å; F449-V521 HydrophobicContact CZ-CG1 3.78Å; F449-L522 HydrophobicContact CE2-CD2 3.95Å; F449-L522 HydrophobicContact CZ-CD2 4.2Å |
| 450 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.4 | -29.1 | 178.5 | -61.2 | -175.2 | 0 | 0 | 0 | 112.6 | M256 I403 F446 T447 I511 R514 | M256-L450 HydrophobicContact SD-CB 4.47Å; I403-L450 HydrophobicContact CD1-CD1 4.25Å; I403-L450 HydrophobicContact CG2-CD1 3.67Å; F446-L450 HydrophobicContact CD1-CD1 4.29Å; F446-L450 HydrophobicContact CE1-CD1 3.79Å; F446-L450 HydrophobicContact CE2-CD1 4.38Å; F446-L450 HydrophobicContact CE2-CD2 4.36Å; F446-L450 HydrophobicContact CE2-CG 4.41Å; F446-L450 HydrophobicContact CZ-CD1 3.84Å; F446-L450 HydrophobicContact CZ-CD2 4.44Å; F446-L450 HydrophobicContact CZ-CG 4.34Å; F446-L450 WeakPolarHBondContact O-CG 3.35Å; F446-L450 PolarHBondContact O-N 3.35Å; F446-L450 VanDerWaalsContact O-N 3.09Å; T447-L450 PolarHBondContact O-N 2.98Å; L450-I511 HydrophobicContact CB-CD1 4.21Å; L450-R514 HydrophobicContact CD2-CB 4.4Å; L450-R514 WeakPolarHBondContact O-CD 3.43Å; L450-R514 PolarHBondContact O-NH1 2.88Å |
| 451 | H | 96 | Very high | 95.8 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -85.2 | -50.6 | 178.7 | 174.4 | 63.4 | 0 | 0 | 0 | 113.6 | R211 R255 T259 T447 L448 F449 R514 | R211-H451 WeakPolarHBondContact CD-NE2 3.43Å; R211-H451 PolarHBondContact NH1-NE2 3.18Å; R255-H451 HydrophobicContact CB-CB 3.91Å; R255-H451 HydrophobicContact CG-CB 4.47Å; R255-H451 PolarHBondContact O-CE1 2.74Å; R255-H451 PolarHBondContact O-ND1 2.73Å; T259-H451 WeakPolarHBondContact OG1-CA 3.46Å; T259-H451 PolarHBondContact OG1-ND1 3.46Å; T447-H451 WeakPolarHBondContact O-CB 3.34Å; T447-H451 PolarHBondContact O-N 3.33Å; L448-H451 PolarHBondContact O-N 3.45Å; F449-H451 VanDerWaalsContact C-N 3.27Å; F449-H451 PolarHBondContact O-N 3.26Å; H451-R514 PolarHBondContact O-NH1 3.06Å |
| 452 | C | 94.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 14 Ų | 14 | 6% | 0.061 | 7% | 0.074 | C | C | . | . | trans | -147.7 | 88.9 | -176.9 | -170.8 | 0 | 0 | 0 | 0 | 110.1 | L448 L454 T455 A456 | L448-C452 CarbonylContact O-C 3.59Å; L448-C452 PolarHBondContact O-N 3.12Å; C452-L454 PolarHBondContact O-N 2.79Å; C452-L454 VanDerWaalsContact O-N 3.15Å; C452-T455 PolarHBondContact O-N 3.06Å; C452-T455 VanDerWaalsContact O-N 3.1Å; C452-T455 PolarHBondContact SG-OG1 3.24Å; C452-A456 PolarHBondContact O-N 3.04Å | ||
| 453 | P | 96.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 5% | 0.045 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -53.3 | -38.3 | -176.8 | -26.2 | 31.6 | 0 | 0 | 0 | 113.7 | F449 A456 F457 I478 R514 F517 | F449-P453 WeakPolarHBondContact O-CD 3.39Å; F449-P453 WeakPolarHBondContact O-CG 3.34Å; P453-A456 PolarHBondContact O-N 3.25Å; P453-F457 WeakPolarHBondContact O-CB 3.49Å; P453-F457 PolarHBondContact O-N 2.98Å; P453-I478 HydrophobicContact CB-CG2 4.25Å; P453-I478 HydrophobicContact CG-CG2 4.49Å; P453-R514 HydrophobicContact CG-CB 4.14Å; P453-R514 HydrophobicContact CG-CG 3.54Å; P453-F517 HydrophobicContact CB-CD1 3.6Å; P453-F517 HydrophobicContact CB-CE1 3.71Å; P453-F517 HydrophobicContact CB-CG 4.37Å |
| 454 | L | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.1 | -46.2 | 179.5 | -177.5 | 54.3 | 0 | 0 | 0 | 112 | C452 A456 F457 C458 W471 A474 Q475 I478 L559 F563 | C452-L454 PolarHBondContact O-N 2.79Å; C452-L454 VanDerWaalsContact O-N 3.15Å; L454-A456 VanDerWaalsContact C-N 3.27Å; L454-A456 PolarHBondContact O-N 3.23Å; L454-F457 PolarHBondContact O-N 3.4Å; L454-C458 PolarHBondContact O-N 3Å; L454-C458 PolarHBondContact O-SG 2.9Å; L454-W471 HydrophobicContact CB-CH2 4.3Å; L454-W471 HydrophobicContact CD2-CD2 3.65Å; L454-W471 HydrophobicContact CD2-CE3 3.8Å; L454-W471 HydrophobicContact CD2-CG 4.26Å; L454-W471 HydrophobicContact CD2-CH2 3.96Å; L454-W471 HydrophobicContact CD2-CZ2 3.81Å; L454-W471 HydrophobicContact CD2-CZ3 3.96Å; L454-W471 HydrophobicContact CG-CD2 4.47Å; L454-W471 HydrophobicContact CG-CE3 4.16Å; L454-W471 HydrophobicContact CG-CH2 3.91Å; L454-W471 HydrophobicContact CG-CZ2 4.23Å; L454-W471 HydrophobicContact CG-CZ3 3.88Å; L454-A474 HydrophobicContact CD1-CB 3.63Å; L454-A474 HydrophobicContact CD2-CB 3.89Å; L454-A474 HydrophobicContact CG-CB 4.44Å; L454-Q475 HydrophobicContact CD2-CB 4.16Å; L454-I478 HydrophobicContact CB-CG1 4.32Å; L454-L559 HydrophobicContact CD1-CD1 4.31Å; L454-F563 HydrophobicContact CD1-CE2 3.86Å; L454-F563 HydrophobicContact CD1-CZ 3.97Å |
| 455 | T | 94.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 176 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | I196 L448 C452 C458 L459 W471 | I196-T455 HydrophobicContact CB-CG2 3.85Å; I196-T455 HydrophobicContact CD1-CG2 4.06Å; I196-T455 HydrophobicContact CG2-CG2 4.02Å; L448-T455 HydrophobicContact CD1-CG2 4.12Å; L448-T455 HydrophobicContact CD2-CG2 4.33Å; C452-T455 PolarHBondContact O-N 3.06Å; C452-T455 VanDerWaalsContact O-N 3.1Å; C452-T455 PolarHBondContact SG-OG1 3.24Å; T455-C458 PolarHBondContact O-N 3.38Å; T455-L459 PolarHBondContact O-N 3.02Å; T455-W471 WeakPolarHBondContact OG1-CH2 3.31Å |
| 456 | A | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L448 F449 C452 P453 L454 C458 L459 T460 | L448-A456 HydrophobicContact CB-CB 4.22Å; L448-A456 HydrophobicContact CD2-CB 4.1Å; L448-A456 HydrophobicContact CG-CB 3.82Å; F449-A456 HydrophobicContact CB-CB 4.05Å; F449-A456 HydrophobicContact CD1-CB 3.5Å; F449-A456 HydrophobicContact CD2-CB 3.57Å; F449-A456 HydrophobicContact CE1-CB 3.74Å; F449-A456 HydrophobicContact CE2-CB 3.79Å; F449-A456 HydrophobicContact CG-CB 3.41Å; F449-A456 VanDerWaalsContact CG-CB 3.41Å; F449-A456 HydrophobicContact CZ-CB 3.86Å; C452-A456 PolarHBondContact O-N 3.04Å; P453-A456 PolarHBondContact O-N 3.25Å; L454-A456 VanDerWaalsContact C-N 3.27Å; L454-A456 PolarHBondContact O-N 3.23Å; A456-C458 VanDerWaalsContact C-N 3.31Å; A456-C458 PolarHBondContact O-N 3.05Å; A456-L459 WeakPolarHBondContact O-CB 3.38Å; A456-L459 PolarHBondContact O-N 3.28Å; A456-T460 WeakPolarHBondContact O-CG2 3.44Å; A456-T460 PolarHBondContact O-N 3.43Å; A456-T460 PolarHBondContact O-OG1 3.42Å |
| 457 | F | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.7 | -175.5 | -84.5 | 0 | 0 | 0 | 111.7 | P453 L454 L459 T460 C461 F517 V521 L559 A560 F563 F569 | P453-F457 WeakPolarHBondContact O-CB 3.49Å; P453-F457 PolarHBondContact O-N 2.98Å; L454-F457 PolarHBondContact O-N 3.4Å; F457-L459 VanDerWaalsContact C-N 3.35Å; F457-L459 PolarHBondContact O-N 2.93Å; F457-T460 WeakPolarHBondContact CA-OG1 3.43Å; F457-T460 PolarHBondContact O-N 3.33Å; F457-T460 PolarHBondContact O-OG1 3.4Å; F457-C461 VanDerWaalsContact CE1-SG 3.54Å; F457-C461 PolarHBondContact O-N 3.44Å; F457-C461 PolarHBondContact O-SG 3.35Å; F457-F517 HydrophobicContact CB-CE1 4.44Å; F457-F517 HydrophobicContact CB-CZ 4.49Å; F457-F517 HydrophobicContact CD2-CZ 4.09Å; F457-V521 HydrophobicContact CD2-CG1 3.97Å; F457-V521 HydrophobicContact CD2-CG2 4.02Å; F457-V521 HydrophobicContact CE2-CG1 4.38Å; F457-V521 HydrophobicContact CE2-CG2 4.37Å; F457-L559 HydrophobicContact CD1-CD2 3.99Å; F457-L559 HydrophobicContact CD1-CG 4.17Å; F457-L559 HydrophobicContact CD2-CD2 3.7Å; F457-L559 HydrophobicContact CE1-CD2 4.08Å; F457-L559 HydrophobicContact CE1-CG 3.9Å; F457-L559 HydrophobicContact CE2-CD2 3.76Å; F457-L559 HydrophobicContact CE2-CG 4.24Å; F457-L559 HydrophobicContact CG-CD2 3.81Å; F457-L559 HydrophobicContact CG-CG 4.49Å; F457-L559 HydrophobicContact CZ-CB 4.46Å; F457-L559 HydrophobicContact CZ-CD2 3.96Å; F457-L559 HydrophobicContact CZ-CG 3.93Å; F457-A560 HydrophobicContact CZ-CB 4.22Å; F457-F563 HydrophobicContact CD1-CD2 4.14Å; F457-F563 HydrophobicContact CD1-CE2 4.28Å; F457-F563 AromaticContact CE1-CD2 3.82Å; F457-F563 HydrophobicContact CE1-CD2 3.82Å; F457-F563 HydrophobicContact CE1-CE2 4.37Å; F457-F569 HydrophobicContact CD2-CZ 4.19Å; F457-F569 AromaticContact CE2-CE1 3.91Å; F457-F569 HydrophobicContact CE2-CE1 3.91Å; F457-F569 AromaticContact CE2-CE2 3.94Å; F457-F569 HydrophobicContact CE2-CE2 3.94Å; F457-F569 AromaticContact CE2-CZ 3.25Å; F457-F569 HydrophobicContact CE2-CZ 3.25Å; F457-F569 HydrophobicContact CZ-CE1 4.42Å; F457-F569 AromaticContact CZ-CE2 3.62Å; F457-F569 HydrophobicContact CZ-CE2 3.62Å; F457-F569 AromaticContact CZ-CZ 3.45Å; F457-F569 HydrophobicContact CZ-CZ 3.45Å; F457-F569 VanDerWaalsContact CZ-CZ 3.45Å |
| 458 | C | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 176.5 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | L454 T455 A456 T460 C461 N462 L463 I466 | L454-C458 PolarHBondContact O-N 3Å; L454-C458 PolarHBondContact O-SG 2.9Å; T455-C458 PolarHBondContact O-N 3.38Å; A456-C458 VanDerWaalsContact C-N 3.31Å; A456-C458 PolarHBondContact O-N 3.05Å; C458-T460 PolarHBondContact O-N 3.16Å; C458-C461 CarbonylContact O-C 3.52Å; C458-C461 PolarHBondContact O-N 3.08Å; C458-N462 PolarHBondContact O-N 2.85Å; C458-L463 HydrophobicContact CB-CB 4.04Å; C458-L463 HydrophobicContact CB-CD1 4.48Å; C458-L463 PolarHBondContact O-N 2.92Å; C458-I466 HydrophobicContact CB-CD1 4.03Å; C458-I466 WeakPolarHBondContact SG-CD1 3.31Å |
| 459 | L | 94.7 | Very high | 94.1 | Very high | 27 Ų | 27 | 32.5 Ų | 32.5 | 14% | 0.141 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 175.8 | 179.3 | 60.4 | 0 | 0 | 0 | 112 | I196 L436 L445 L448 T455 A456 F457 C461 N462 | I196-L459 HydrophobicContact CG2-CB 3.98Å; I196-L459 HydrophobicContact CG2-CD1 4Å; I196-L459 HydrophobicContact CG2-CD2 4.33Å; I196-L459 HydrophobicContact CG2-CG 4.32Å; L436-L459 HydrophobicContact CD2-CD1 4.17Å; L436-L459 HydrophobicContact CD2-CG 3.97Å; L445-L459 HydrophobicContact CD1-CD2 4.1Å; L448-L459 HydrophobicContact CD2-CB 4.27Å; L448-L459 HydrophobicContact CD2-CD2 3.6Å; T455-L459 PolarHBondContact O-N 3.02Å; A456-L459 WeakPolarHBondContact O-CB 3.38Å; A456-L459 PolarHBondContact O-N 3.28Å; F457-L459 VanDerWaalsContact C-N 3.35Å; F457-L459 PolarHBondContact O-N 2.93Å; L459-C461 PolarHBondContact O-N 2.73Å; L459-N462 PolarHBondContact O-N 3.22Å |
| 460 | T | 95.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -31.9 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | L436 L445 F449 A456 F457 C458 N462 L522 H525 F528 | L436-T460 HydrophobicContact CD1-CG2 4.43Å; L445-T460 HydrophobicContact CD1-CG2 3.89Å; L445-T460 HydrophobicContact CD2-CG2 4.06Å; F449-T460 HydrophobicContact CE2-CG2 3.89Å; F449-T460 HydrophobicContact CZ-CG2 3.9Å; A456-T460 WeakPolarHBondContact O-CG2 3.44Å; A456-T460 PolarHBondContact O-N 3.43Å; A456-T460 PolarHBondContact O-OG1 3.42Å; F457-T460 WeakPolarHBondContact CA-OG1 3.43Å; F457-T460 PolarHBondContact O-N 3.33Å; F457-T460 PolarHBondContact O-OG1 3.4Å; C458-T460 PolarHBondContact O-N 3.16Å; T460-N462 VanDerWaalsContact C-N 3.33Å; T460-L522 HydrophobicContact CG2-CD2 4.27Å; T460-H525 PolarHBondContact O-NE2 2.9Å; T460-F528 HydrophobicContact CG2-CE2 4.43Å; T460-F528 HydrophobicContact CG2-CZ 4.18Å |
| 461 | C | 95.2 | Very high | 93.6 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.7 | 177 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | F457 C458 L459 L463 C565 L568 | F457-C461 VanDerWaalsContact CE1-SG 3.54Å; F457-C461 PolarHBondContact O-N 3.44Å; F457-C461 PolarHBondContact O-SG 3.35Å; C458-C461 CarbonylContact O-C 3.52Å; C458-C461 PolarHBondContact O-N 3.08Å; L459-C461 PolarHBondContact O-N 2.73Å; C461-L463 VanDerWaalsContact C-N 3.29Å; C461-L463 HydrophobicContact CB-CD1 4.02Å; C461-L463 HydrophobicContact CB-CG 3.89Å; C461-L463 PolarHBondContact O-N 2.98Å; C461-C565 HydrophobicContact CB-CB 4.36Å; C461-L568 HydrophobicContact CB-CD1 4.1Å |
| 462 | N | 93.7 | Very high | 93.4 | Very high | 124 Ų | 124 | 38.1 Ų | 38.1 | 66% | 0.663 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 36.8 | -176.4 | -166 | 48 | 0 | 0 | 0 | 114.1 | C458 L459 T460 | C458-N462 PolarHBondContact O-N 2.85Å; L459-N462 PolarHBondContact O-N 3.22Å; T460-N462 VanDerWaalsContact C-N 3.33Å |
| 463 | L | 93.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | trans | -93.5 | 123.1 | 176.2 | -56.3 | 174.2 | 0 | 0 | 0 | 110 | C458 C461 I466 F563 | C458-L463 HydrophobicContact CB-CB 4.04Å; C458-L463 HydrophobicContact CB-CD1 4.48Å; C458-L463 PolarHBondContact O-N 2.92Å; C461-L463 VanDerWaalsContact C-N 3.29Å; C461-L463 HydrophobicContact CB-CD1 4.02Å; C461-L463 HydrophobicContact CB-CG 3.89Å; C461-L463 PolarHBondContact O-N 2.98Å; L463-I466 HydrophobicContact CB-CD1 4.38Å; L463-F563 HydrophobicContact CD1-CB 3.68Å; L463-F563 HydrophobicContact CD1-CD1 3.69Å; L463-F563 HydrophobicContact CD1-CD2 4.2Å; L463-F563 HydrophobicContact CD1-CE1 4.36Å; L463-F563 HydrophobicContact CD1-CG 3.61Å | ||
| 464 | T | 89.6 | Confident | 93.4 | Very high | 85 Ų | 85 | 44 Ų | 44 | 52% | 0.521 | 22% | 0.219 | S | C | . | . | trans | -112.6 | -19.2 | -177 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | C197 E198 | C197-T464 WeakPolarHBondContact CA-O 3.48Å; E198-T464 PolarHBondContact N-O 3.25Å | ||
| 465 | K | 90.5 | Very high | 93.3 | Very high | 134 Ų | 134 | 46.5 Ų | 46.5 | 58% | 0.583 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 123.8 | -175.6 | -72 | -177.6 | 175.3 | -167.5 | 0 | 110.2 | E198 I200 | E198-K465 HydrophobicContact CB-CG 4.35Å; E198-K465 WeakPolarHBondContact O-CA 3.47Å; E198-K465 WeakPolarHBondContact OE2-CE 3.34Å; E198-K465 IonicContact OE2-NZ 3.73Å; I200-K465 HydrophobicContact CD1-CB 3.92Å; I200-K465 HydrophobicContact CD1-CD 4.15Å; I200-K465 HydrophobicContact CD1-CG 4.23Å |
| 466 | I | 91.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.7 | -175.1 | -62.7 | 175.2 | 0 | 0 | 0 | 109.3 | C197 E198 I199 I200 C458 L463 T470 W471 F563 | C197-I466 WeakPolarHBondContact SG-CD1 3.46Å; C197-I466 VanDerWaalsContact SG-CG1 3.56Å; E198-I466 PolarHBondContact O-N 2.96Å; I199-I466 CarbonylContact C-O 3.5Å; I199-I466 WeakPolarHBondContact CA-O 3.39Å; I200-I466 PolarHBondContact N-O 2.99Å; C458-I466 HydrophobicContact CB-CD1 4.03Å; C458-I466 WeakPolarHBondContact SG-CD1 3.31Å; L463-I466 HydrophobicContact CB-CD1 4.38Å; I466-T470 HydrophobicContact CG2-CG2 4.23Å; I466-W471 HydrophobicContact CD1-CE3 4.31Å; I466-W471 HydrophobicContact CD1-CZ3 4.48Å; I466-W471 HydrophobicContact CG2-CB 4.12Å; I466-W471 HydrophobicContact CG2-CE3 4.4Å; I466-F563 HydrophobicContact CD1-CD1 4.38Å; I466-F563 HydrophobicContact CD1-CE1 3.61Å; I466-F563 HydrophobicContact CD1-CZ 4Å; I466-F563 HydrophobicContact CG1-CE1 4.1Å; I466-F563 HydrophobicContact CG2-CE1 3.86Å |
| 467 | T | 90.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 146.7 | 174.4 | 77.4 | 0 | 0 | 0 | 0 | 110.8 | I200 K469 T470 W471 | I200-T467 CarbonylContact O-C 3.56Å; I200-T467 VanDerWaalsContact O-CA 3.31Å; I200-T467 WeakPolarHBondContact O-CA 3.41Å; T467-K469 PolarHBondContact O-N 3.43Å; T467-T470 PolarHBondContact O-N 3.45Å; T467-T470 WeakPolarHBondContact OG1-CB 3.43Å; T467-T470 PolarHBondContact OG1-N 3.25Å; T467-T470 PolarHBondContact OG1-OG1 3.47Å; T467-W471 PolarHBondContact O-N 2.86Å |
| 468 | L | 88.2 | Confident | 93.3 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.7 | -42.4 | 177.4 | -179.3 | 62.9 | 0 | 0 | 0 | 112.2 | I199 I200 D201 I207 T470 W471 D472 | I199-L468 HydrophobicContact CG2-CB 4Å; I199-L468 HydrophobicContact CG2-CD1 3.92Å; I200-L468 PolarHBondContact O-N 3.41Å; D201-L468 HydrophobicContact CB-CB 4.2Å; D201-L468 HydrophobicContact CB-CD2 4.1Å; I207-L468 HydrophobicContact CD1-CD2 4.25Å; L468-T470 PolarHBondContact O-N 3.21Å; L468-W471 WeakPolarHBondContact O-CB 3.37Å; L468-W471 PolarHBondContact O-N 3.39Å; L468-D472 PolarHBondContact O-N 3.37Å |
| 469 | K | 90.6 | Very high | 93.2 | Very high | 138 Ų | 138 | 52.4 Ų | 52.4 | 60% | 0.6 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 177.7 | -176.7 | 179 | 179.3 | 178.9 | 0 | 112.8 | T467 R473 | T467-K469 PolarHBondContact O-N 3.43Å; K469-R473 WeakPolarHBondContact O-CG 3.48Å; K469-R473 PolarHBondContact O-N 3.47Å |
| 470 | T | 93.9 | Very high | 93.2 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | I466 T467 L468 R473 A474 L562 F563 | I466-T470 HydrophobicContact CG2-CG2 4.23Å; T467-T470 PolarHBondContact O-N 3.45Å; T467-T470 WeakPolarHBondContact OG1-CB 3.43Å; T467-T470 PolarHBondContact OG1-N 3.25Å; T467-T470 PolarHBondContact OG1-OG1 3.47Å; L468-T470 PolarHBondContact O-N 3.21Å; T470-R473 PolarHBondContact O-N 2.88Å; T470-A474 WeakPolarHBondContact O-CB 3.19Å; T470-A474 PolarHBondContact O-N 3.35Å; T470-L562 HydrophobicContact CG2-CD1 4.19Å; T470-L562 HydrophobicContact CG2-CD2 4.35Å; T470-L562 HydrophobicContact CG2-CG 3.97Å; T470-F563 HydrophobicContact CG2-CD1 3.99Å; T470-F563 HydrophobicContact CG2-CE1 3.59Å; T470-F563 HydrophobicContact CG2-CZ 4.36Å |
| 471 | W | 92.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58 | -49.4 | 177.2 | -178.1 | -87.5 | 0 | 0 | 0 | 112.3 | I199 L454 T455 I466 T467 L468 R473 A474 Q475 | I199-W471 HydrophobicContact CD1-CD2 3.62Å; I199-W471 HydrophobicContact CD1-CE3 4.04Å; I199-W471 HydrophobicContact CD1-CG 3.93Å; I199-W471 HydrophobicContact CD1-CH2 4.46Å; I199-W471 HydrophobicContact CD1-CZ2 4.09Å; I199-W471 HydrophobicContact CD1-CZ3 4.43Å; I199-W471 HydrophobicContact CG1-CD2 4.04Å; I199-W471 HydrophobicContact CG1-CE3 4.02Å; I199-W471 HydrophobicContact CG1-CG 4.39Å; I199-W471 HydrophobicContact CG1-CZ3 4.47Å; L454-W471 HydrophobicContact CB-CH2 4.3Å; L454-W471 HydrophobicContact CD2-CD2 3.65Å; L454-W471 HydrophobicContact CD2-CE3 3.8Å; L454-W471 HydrophobicContact CD2-CG 4.26Å; L454-W471 HydrophobicContact CD2-CH2 3.96Å; L454-W471 HydrophobicContact CD2-CZ2 3.81Å; L454-W471 HydrophobicContact CD2-CZ3 3.96Å; L454-W471 HydrophobicContact CG-CD2 4.47Å; L454-W471 HydrophobicContact CG-CE3 4.16Å; L454-W471 HydrophobicContact CG-CH2 3.91Å; L454-W471 HydrophobicContact CG-CZ2 4.23Å; L454-W471 HydrophobicContact CG-CZ3 3.88Å; T455-W471 WeakPolarHBondContact OG1-CH2 3.31Å; I466-W471 HydrophobicContact CD1-CE3 4.31Å; I466-W471 HydrophobicContact CD1-CZ3 4.48Å; I466-W471 HydrophobicContact CG2-CB 4.12Å; I466-W471 HydrophobicContact CG2-CE3 4.4Å; T467-W471 PolarHBondContact O-N 2.86Å; L468-W471 WeakPolarHBondContact O-CB 3.37Å; L468-W471 PolarHBondContact O-N 3.39Å; W471-R473 VanDerWaalsContact C-N 3.33Å; W471-R473 PolarHBondContact O-N 2.94Å; W471-A474 WeakPolarHBondContact O-CB 3.49Å; W471-A474 PolarHBondContact O-N 3.27Å; W471-Q475 WeakPolarHBondContact O-CB 3.19Å; W471-Q475 PolarHBondContact O-N 2.84Å |
| 472 | D | 91.2 | Very high | 93.4 | Very high | 77 Ų | 77 | 53 Ų | 53 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | -178.9 | -68.3 | -24.7 | 0 | 0 | 0 | 112.5 | L468 Q475 S476 | L468-D472 PolarHBondContact O-N 3.37Å; D472-Q475 PolarHBondContact O-N 2.83Å; D472-S476 PolarHBondContact O-N 2.92Å; D472-S476 PolarHBondContact O-OG 3.24Å |
| 473 | R | 95.4 | Very high | 93.5 | Very high | 138 Ų | 138 | 49.9 Ų | 49.9 | 52% | 0.521 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 173.9 | -72.3 | 175 | 176.3 | -167.9 | -6 | 111.4 | K469 T470 W471 Q475 S476 I477 L562 | K469-R473 WeakPolarHBondContact O-CG 3.48Å; K469-R473 PolarHBondContact O-N 3.47Å; T470-R473 PolarHBondContact O-N 2.88Å; W471-R473 VanDerWaalsContact C-N 3.33Å; W471-R473 PolarHBondContact O-N 2.94Å; R473-Q475 VanDerWaalsContact C-N 3.32Å; R473-Q475 PolarHBondContact O-N 3.4Å; R473-S476 WeakPolarHBondContact O-CB 3.24Å; R473-S476 PolarHBondContact O-N 3.49Å; R473-I477 WeakPolarHBondContact O-CG1 3.31Å; R473-I477 PolarHBondContact O-N 3.36Å; R473-I477 VanDerWaalsContact O-N 3.13Å; R473-L562 HydrophobicContact CB-CD2 3.85Å |
| 474 | A | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L454 T470 W471 S476 I477 I478 L559 L562 F563 | L454-A474 HydrophobicContact CD1-CB 3.63Å; L454-A474 HydrophobicContact CD2-CB 3.89Å; L454-A474 HydrophobicContact CG-CB 4.44Å; T470-A474 WeakPolarHBondContact O-CB 3.19Å; T470-A474 PolarHBondContact O-N 3.35Å; W471-A474 WeakPolarHBondContact O-CB 3.49Å; W471-A474 PolarHBondContact O-N 3.27Å; A474-S476 VanDerWaalsContact C-N 3.32Å; A474-S476 PolarHBondContact O-N 3.15Å; A474-I477 WeakPolarHBondContact O-CB 3.38Å; A474-I477 PolarHBondContact O-N 3.4Å; A474-I477 VanDerWaalsContact O-N 3.16Å; A474-I478 WeakPolarHBondContact O-CG1 3.44Å; A474-I478 PolarHBondContact O-N 3.39Å; A474-L559 HydrophobicContact CB-CD1 3.67Å; A474-L562 HydrophobicContact CB-CD2 3.76Å; A474-F563 HydrophobicContact CB-CE2 3.69Å; A474-F563 HydrophobicContact CB-CZ 3.5Å |
| 475 | Q | 93.5 | Very high | 94 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.1 | -41 | 175.5 | -173 | 59.4 | 56.7 | 0 | 0 | 111.5 | L454 W471 D472 R473 I477 I478 D479 | L454-Q475 HydrophobicContact CD2-CB 4.16Å; W471-Q475 WeakPolarHBondContact O-CB 3.19Å; W471-Q475 PolarHBondContact O-N 2.84Å; D472-Q475 PolarHBondContact O-N 2.83Å; R473-Q475 VanDerWaalsContact C-N 3.32Å; R473-Q475 PolarHBondContact O-N 3.4Å; Q475-I477 VanDerWaalsContact C-N 3.29Å; Q475-I477 PolarHBondContact O-N 3.06Å; Q475-I478 WeakPolarHBondContact O-CB 3.46Å; Q475-I478 PolarHBondContact O-N 3.41Å; Q475-I478 VanDerWaalsContact O-N 3.13Å; Q475-D479 PolarHBondContact NE2-OD1 2.88Å; Q475-D479 PolarHBondContact O-N 3.49Å |
| 476 | S | 93.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 41.9 Ų | 41.9 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.5 | -36.2 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | D472 R473 A474 D479 S480 | D472-S476 PolarHBondContact O-N 2.92Å; D472-S476 PolarHBondContact O-OG 3.24Å; R473-S476 WeakPolarHBondContact O-CB 3.24Å; R473-S476 PolarHBondContact O-N 3.49Å; A474-S476 VanDerWaalsContact C-N 3.32Å; A474-S476 PolarHBondContact O-N 3.15Å; S476-D479 PolarHBondContact O-N 2.66Å; S476-S480 WeakPolarHBondContact O-CB 3.38Å; S476-S480 PolarHBondContact O-N 3.47Å; S476-S480 PolarHBondContact O-OG 3.11Å |
| 477 | I | 97.3 | Very high | 94.4 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 174.6 | -63.3 | 166 | 0 | 0 | 0 | 110.4 | R473 A474 Q475 S480 F481 L555 E558 L559 L562 | R473-I477 WeakPolarHBondContact O-CG1 3.31Å; R473-I477 PolarHBondContact O-N 3.36Å; R473-I477 VanDerWaalsContact O-N 3.13Å; A474-I477 WeakPolarHBondContact O-CB 3.38Å; A474-I477 PolarHBondContact O-N 3.4Å; A474-I477 VanDerWaalsContact O-N 3.16Å; Q475-I477 VanDerWaalsContact C-N 3.29Å; Q475-I477 PolarHBondContact O-N 3.06Å; I477-S480 PolarHBondContact O-N 3.21Å; I477-F481 PolarHBondContact O-N 2.88Å; I477-L555 HydrophobicContact CG2-CB 4.22Å; I477-L555 HydrophobicContact CG2-CD2 4.14Å; I477-L555 WeakPolarHBondContact CG2-O 3.42Å; I477-E558 HydrophobicContact CD1-CG 3.92Å; I477-L559 HydrophobicContact CB-CD1 4.45Å; I477-L559 HydrophobicContact CD1-CD1 4.39Å; I477-L559 HydrophobicContact CG2-CB 4.03Å; I477-L562 HydrophobicContact CD1-CD2 3.85Å |
| 478 | I | 96 | Very high | 94.7 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 174.5 | -63.1 | -64.9 | 0 | 0 | 0 | 110.7 | P453 L454 A474 Q475 S480 F481 L482 F517 L559 | P453-I478 HydrophobicContact CB-CG2 4.25Å; P453-I478 HydrophobicContact CG-CG2 4.49Å; L454-I478 HydrophobicContact CB-CG1 4.32Å; A474-I478 WeakPolarHBondContact O-CG1 3.44Å; A474-I478 PolarHBondContact O-N 3.39Å; Q475-I478 WeakPolarHBondContact O-CB 3.46Å; Q475-I478 PolarHBondContact O-N 3.41Å; Q475-I478 VanDerWaalsContact O-N 3.13Å; I478-S480 VanDerWaalsContact C-N 3.28Å; I478-S480 PolarHBondContact O-N 3.49Å; I478-F481 WeakPolarHBondContact O-CA 3.27Å; I478-F481 WeakPolarHBondContact O-CB 3.34Å; I478-F481 PolarHBondContact O-N 2.94Å; I478-L482 HydrophobicContact CG2-CD1 3.97Å; I478-L482 HydrophobicContact CG2-CG 4.24Å; I478-L482 VanDerWaalsContact O-CG 3.31Å; I478-L482 WeakPolarHBondContact O-CG 3.4Å; I478-L482 PolarHBondContact O-N 3.5Å; I478-F517 HydrophobicContact CD1-CD2 4.11Å; I478-F517 HydrophobicContact CD1-CE1 3.86Å; I478-F517 HydrophobicContact CD1-CE2 3.25Å; I478-F517 HydrophobicContact CD1-CZ 3.11Å; I478-L559 HydrophobicContact CD1-CD2 3.65Å; I478-L559 HydrophobicContact CG1-CD2 4.5Å |
| 479 | D | 94 | Very high | 95 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | -178.7 | -61.9 | -23.2 | 0 | 0 | 0 | 111.4 | Q475 S476 L482 T483 | Q475-D479 PolarHBondContact NE2-OD1 2.88Å; Q475-D479 PolarHBondContact O-N 3.49Å; S476-D479 PolarHBondContact O-N 2.66Å; D479-L482 PolarHBondContact O-N 3.4Å; D479-T483 PolarHBondContact O-N 3Å; D479-T483 VanDerWaalsContact O-N 3.09Å; D479-T483 PolarHBondContact O-OG1 2.85Å |
| 480 | S | 96.1 | Very high | 95.1 | Very high | 57 Ų | 57 | 38 Ų | 38 | 40% | 0.399 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 171.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | S476 I477 I478 L482 T483 E484 | S476-S480 WeakPolarHBondContact O-CB 3.38Å; S476-S480 PolarHBondContact O-N 3.47Å; S476-S480 PolarHBondContact O-OG 3.11Å; I477-S480 PolarHBondContact O-N 3.21Å; I478-S480 VanDerWaalsContact C-N 3.28Å; I478-S480 PolarHBondContact O-N 3.49Å; S480-L482 PolarHBondContact O-N 2.89Å; S480-T483 PolarHBondContact O-N 3.41Å; S480-E484 WeakPolarHBondContact O-CG 3.38Å; S480-E484 PolarHBondContact O-N 2.87Å |
| 481 | F | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 176.4 | 177 | -76.5 | 0 | 0 | 0 | 111.5 | I477 I478 T483 E484 C485 F517 I520 L552 L555 I556 | I477-F481 PolarHBondContact O-N 2.88Å; I478-F481 WeakPolarHBondContact O-CA 3.27Å; I478-F481 WeakPolarHBondContact O-CB 3.34Å; I478-F481 PolarHBondContact O-N 2.94Å; F481-T483 VanDerWaalsContact C-N 3.28Å; F481-T483 PolarHBondContact O-N 3.04Å; F481-E484 PolarHBondContact O-N 2.93Å; F481-C485 HydrophobicContact CD1-CB 4.3Å; F481-C485 HydrophobicContact CE1-CB 4Å; F481-C485 WeakPolarHBondContact O-CB 3.31Å; F481-C485 PolarHBondContact O-N 3.16Å; F481-F517 HydrophobicContact CD1-CB 4.01Å; F481-F517 AromaticContact CD1-CD2 3.58Å; F481-F517 HydrophobicContact CD1-CD2 3.58Å; F481-F517 HydrophobicContact CD1-CG 4.26Å; F481-F517 HydrophobicContact CD2-CD2 4.05Å; F481-F517 HydrophobicContact CE1-CB 3.52Å; F481-F517 AromaticContact CE1-CD2 3.67Å; F481-F517 HydrophobicContact CE1-CD2 3.67Å; F481-F517 HydrophobicContact CE1-CG 4.09Å; F481-F517 HydrophobicContact CE2-CD2 4.09Å; F481-F517 AromaticContact CG-CD2 3.8Å; F481-F517 HydrophobicContact CG-CD2 3.8Å; F481-F517 HydrophobicContact CG-CE2 4.41Å; F481-F517 HydrophobicContact CZ-CB 4.1Å; F481-F517 AromaticContact CZ-CD2 3.91Å; F481-F517 HydrophobicContact CZ-CD2 3.91Å; F481-F517 HydrophobicContact CZ-CG 4.48Å; F481-I520 HydrophobicContact CE2-CD1 4.27Å; F481-I520 HydrophobicContact CZ-CD1 3.77Å; F481-L552 HydrophobicContact CD2-CB 4.34Å; F481-L552 HydrophobicContact CD2-CD2 3.91Å; F481-L552 HydrophobicContact CE2-CB 3.86Å; F481-L552 HydrophobicContact CE2-CD2 3.9Å; F481-L552 HydrophobicContact CE2-CG 4.32Å; F481-L552 HydrophobicContact CG-CD2 4.3Å; F481-L552 HydrophobicContact CZ-CD2 4.26Å; F481-L555 HydrophobicContact CB-CB 4.39Å; F481-L555 HydrophobicContact CB-CD1 4.08Å; F481-L555 HydrophobicContact CD2-CB 4.29Å; F481-I556 HydrophobicContact CD2-CD1 3.85Å; F481-I556 HydrophobicContact CD2-CG1 4.25Å; F481-I556 HydrophobicContact CE2-CD1 3.73Å; F481-I556 HydrophobicContact CE2-CG1 3.95Å |
| 482 | L | 96.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | -177.9 | -62.6 | 173.8 | 0 | 0 | 0 | 111 | P219 I478 D479 S480 Y486 I510 L513 R514 | P219-L482 HydrophobicContact CG-CB 4.24Å; I478-L482 HydrophobicContact CG2-CD1 3.97Å; I478-L482 HydrophobicContact CG2-CG 4.24Å; I478-L482 VanDerWaalsContact O-CG 3.31Å; I478-L482 WeakPolarHBondContact O-CG 3.4Å; I478-L482 PolarHBondContact O-N 3.5Å; D479-L482 PolarHBondContact O-N 3.4Å; S480-L482 PolarHBondContact O-N 2.89Å; L482-Y486 WeakPolarHBondContact O-CB 3.34Å; L482-Y486 PolarHBondContact O-N 2.93Å; L482-I510 HydrophobicContact CD1-CD1 3.84Å; L482-L513 HydrophobicContact CB-CB 4.43Å; L482-L513 HydrophobicContact CB-CD1 4.37Å; L482-L513 HydrophobicContact CD2-CB 3.62Å; L482-R514 HydrophobicContact CD2-CG 4.33Å |
| 483 | T | 95.4 | Very high | 95.5 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.9 | -48.6 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | D479 S480 F481 Y486 Q487 | D479-T483 PolarHBondContact O-N 3Å; D479-T483 VanDerWaalsContact O-N 3.09Å; D479-T483 PolarHBondContact O-OG1 2.85Å; S480-T483 PolarHBondContact O-N 3.41Å; F481-T483 VanDerWaalsContact C-N 3.28Å; F481-T483 PolarHBondContact O-N 3.04Å; T483-Y486 WeakPolarHBondContact O-CB 3.44Å; T483-Y486 PolarHBondContact O-N 3.13Å; T483-Q487 WeakPolarHBondContact O-CG 3.14Å; T483-Q487 PolarHBondContact O-N 3.07Å; T483-Q487 VanDerWaalsContact O-N 3.17Å |
| 484 | E | 96.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 50.9 Ų | 50.9 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 178.2 | -68.9 | -60 | 144.4 | 0 | 0 | 111.9 | S480 F481 Y486 Q487 V488 V551 L552 L555 | S480-E484 WeakPolarHBondContact O-CG 3.38Å; S480-E484 PolarHBondContact O-N 2.87Å; F481-E484 PolarHBondContact O-N 2.93Å; E484-Y486 VanDerWaalsContact C-N 3.28Å; E484-Y486 PolarHBondContact O-N 3.33Å; E484-Q487 WeakPolarHBondContact O-CB 3.34Å; E484-Q487 PolarHBondContact O-N 2.92Å; E484-Q487 VanDerWaalsContact O-N 3.12Å; E484-V488 WeakPolarHBondContact O-CG2 3Å; E484-V488 PolarHBondContact O-N 3.38Å; E484-V551 HydrophobicContact CB-CG1 4.29Å; E484-V551 HydrophobicContact CG-CG1 3.81Å; E484-L552 HydrophobicContact CB-CD2 3.78Å; E484-L555 HydrophobicContact CG-CD1 4.28Å |
| 485 | C | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.7 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | F481 V488 L489 L513 C516 L552 | F481-C485 HydrophobicContact CD1-CB 4.3Å; F481-C485 HydrophobicContact CE1-CB 4Å; F481-C485 WeakPolarHBondContact O-CB 3.31Å; F481-C485 PolarHBondContact O-N 3.16Å; C485-V488 PolarHBondContact O-N 2.91Å; C485-L489 WeakPolarHBondContact O-CG 3.46Å; C485-L489 PolarHBondContact O-N 2.94Å; C485-L513 HydrophobicContact CB-CD2 4.04Å; C485-C516 WeakPolarHBondContact SG-CB 3.5Å; C485-L552 HydrophobicContact CB-CD1 4.41Å; C485-L552 HydrophobicContact CB-CD2 4.07Å |
| 486 | Y | 95.8 | Very high | 95.5 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.2 | 175 | -98.7 | 0 | 0 | 0 | 111.6 | I221 L482 T483 E484 V488 L489 M490 L503 R509 | I221-Y486 HydrophobicContact CD1-CE2 3.85Å; I221-Y486 VanDerWaalsContact CD1-OH 3.25Å; I221-Y486 WeakPolarHBondContact CD1-OH 3.09Å; I221-Y486 HydrophobicContact CG1-CE1 4.31Å; I221-Y486 HydrophobicContact CG1-CE2 4.18Å; I221-Y486 WeakPolarHBondContact CG1-OH 3.22Å; L482-Y486 WeakPolarHBondContact O-CB 3.34Å; L482-Y486 PolarHBondContact O-N 2.93Å; T483-Y486 WeakPolarHBondContact O-CB 3.44Å; T483-Y486 PolarHBondContact O-N 3.13Å; E484-Y486 VanDerWaalsContact C-N 3.28Å; E484-Y486 PolarHBondContact O-N 3.33Å; Y486-V488 PolarHBondContact O-N 2.77Å; Y486-L489 PolarHBondContact O-N 3.19Å; Y486-M490 HydrophobicContact CD1-CG 4.33Å; Y486-M490 HydrophobicContact CD2-CG 4.19Å; Y486-M490 HydrophobicContact CE1-CG 3.84Å; Y486-M490 HydrophobicContact CE2-CG 3.68Å; Y486-M490 HydrophobicContact CE2-SD 4.09Å; Y486-M490 HydrophobicContact CG-CG 4.48Å; Y486-M490 VanDerWaalsContact CZ-CG 3.46Å; Y486-M490 WeakPolarHBondContact O-CG 3.27Å; Y486-M490 PolarHBondContact O-N 2.74Å; Y486-L503 HydrophobicContact CD2-CD2 4.26Å; Y486-L503 HydrophobicContact CE2-CB 4.39Å; Y486-R509 HydrophobicContact CD2-CG 4.13Å; Y486-R509 HydrophobicContact CE2-CG 4.34Å |
| 487 | Q | 94.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 177.9 | -65.7 | -63.5 | -31.8 | 0 | 0 | 112.6 | T483 E484 R491 | T483-Q487 WeakPolarHBondContact O-CG 3.14Å; T483-Q487 PolarHBondContact O-N 3.07Å; T483-Q487 VanDerWaalsContact O-N 3.17Å; E484-Q487 WeakPolarHBondContact O-CB 3.34Å; E484-Q487 PolarHBondContact O-N 2.92Å; E484-Q487 VanDerWaalsContact O-N 3.12Å; Q487-R491 WeakPolarHBondContact O-CB 3.32Å; Q487-R491 WeakPolarHBondContact O-CD 3.47Å; Q487-R491 VanDerWaalsContact O-CG 3.24Å; Q487-R491 WeakPolarHBondContact O-CG 3.24Å; Q487-R491 PolarHBondContact O-N 3.48Å; Q487-R491 VanDerWaalsContact O-N 3.16Å |
| 488 | V | 96.1 | Very high | 95.5 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | E484 C485 Y486 M490 R491 S492 E545 L546 C549 L552 | E484-V488 WeakPolarHBondContact O-CG2 3Å; E484-V488 PolarHBondContact O-N 3.38Å; C485-V488 PolarHBondContact O-N 2.91Å; Y486-V488 PolarHBondContact O-N 2.77Å; V488-M490 PolarHBondContact O-N 3.04Å; V488-R491 PolarHBondContact O-N 3.25Å; V488-S492 PolarHBondContact O-N 3.22Å; V488-S492 VanDerWaalsContact O-N 3.14Å; V488-E545 HydrophobicContact CG1-CB 4.47Å; V488-L546 HydrophobicContact CB-CD2 4.37Å; V488-L546 HydrophobicContact CG1-CD2 3.89Å; V488-C549 HydrophobicContact CG2-CB 4.43Å; V488-L552 HydrophobicContact CG2-CD1 4.44Å |
| 489 | L | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 179.1 | -70 | 175.7 | 0 | 0 | 0 | 111.8 | C485 Y486 R491 S492 L495 L503 I512 L513 L541 P542 L546 | C485-L489 WeakPolarHBondContact O-CG 3.46Å; C485-L489 PolarHBondContact O-N 2.94Å; Y486-L489 PolarHBondContact O-N 3.19Å; L489-R491 PolarHBondContact O-N 3.49Å; L489-S492 WeakPolarHBondContact O-CB 3.29Å; L489-S492 PolarHBondContact O-N 2.97Å; L489-S492 VanDerWaalsContact O-N 3.14Å; L489-L495 HydrophobicContact CB-CD2 4.33Å; L489-L495 HydrophobicContact CD2-CD1 4.1Å; L489-L495 WeakPolarHBondContact O-CD2 3.38Å; L489-L503 HydrophobicContact CB-CD1 4.29Å; L489-L503 HydrophobicContact CD1-CD1 4.41Å; L489-L503 HydrophobicContact CD1-CD2 4.36Å; L489-I512 HydrophobicContact CD1-CG2 4.08Å; L489-L513 HydrophobicContact CD1-CD2 3.94Å; L489-L541 HydrophobicContact CD2-CD2 3.91Å; L489-P542 HydrophobicContact CD2-CG 3.88Å; L489-L546 HydrophobicContact CD2-CD1 4.09Å; L489-L546 HydrophobicContact CD2-CD2 4.04Å; L489-L546 HydrophobicContact CD2-CG 4.38Å; L489-L546 HydrophobicContact CG-CD2 4.32Å |
| 490 | M | 92.6 | Very high | 95.5 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 31% | 0.305 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.9 | -21.9 | -177.1 | -69.5 | -54.7 | -60.6 | 0 | 0 | 114.1 | L226 Y486 V488 L503 | L226-M490 HydrophobicContact CD1-CE 3.63Å; Y486-M490 HydrophobicContact CD1-CG 4.33Å; Y486-M490 HydrophobicContact CD2-CG 4.19Å; Y486-M490 HydrophobicContact CE1-CG 3.84Å; Y486-M490 HydrophobicContact CE2-CG 3.68Å; Y486-M490 HydrophobicContact CE2-SD 4.09Å; Y486-M490 HydrophobicContact CG-CG 4.48Å; Y486-M490 VanDerWaalsContact CZ-CG 3.46Å; Y486-M490 WeakPolarHBondContact O-CG 3.27Å; Y486-M490 PolarHBondContact O-N 2.74Å; V488-M490 PolarHBondContact O-N 3.04Å; M490-L503 HydrophobicContact SD-CD1 3.93Å |
| 491 | R | 93.9 | Very high | 95.4 | Very high | 191 Ų | 191 | 53.1 Ų | 53.1 | 72% | 0.721 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -88.4 | -17.5 | 175.3 | -69.5 | 173.4 | -174 | 175.9 | 4.5 | 112.9 | Q487 V488 L489 R493 | Q487-R491 WeakPolarHBondContact O-CB 3.32Å; Q487-R491 WeakPolarHBondContact O-CD 3.47Å; Q487-R491 VanDerWaalsContact O-CG 3.24Å; Q487-R491 WeakPolarHBondContact O-CG 3.24Å; Q487-R491 PolarHBondContact O-N 3.48Å; Q487-R491 VanDerWaalsContact O-N 3.16Å; V488-R491 PolarHBondContact O-N 3.25Å; L489-R491 PolarHBondContact O-N 3.49Å; R491-R493 PolarHBondContact O-N 2.78Å |
| 492 | S | 95.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | trans | -69.3 | 123.6 | -179 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | V488 L489 S494 P542 E545 | V488-S492 PolarHBondContact O-N 3.22Å; V488-S492 VanDerWaalsContact O-N 3.14Å; L489-S492 WeakPolarHBondContact O-CB 3.29Å; L489-S492 PolarHBondContact O-N 2.97Å; L489-S492 VanDerWaalsContact O-N 3.14Å; S492-S494 PolarHBondContact O-N 2.71Å; S492-S494 PolarHBondContact OG-N 3.49Å; S492-S494 PolarHBondContact OG-OG 2.77Å; S492-P542 WeakPolarHBondContact OG-CB 3.46Å; S492-E545 WeakPolarHBondContact CA-OE2 3.18Å; S492-E545 WeakPolarHBondContact CB-OE2 3.42Å; S492-E545 PolarHBondContact OG-OE1 3.06Å; S492-E545 PolarHBondContact OG-OE2 2.84Å; S492-E545 VanDerWaalsContact OG-OE2 3.08Å | ||
| 493 | R | 94.7 | Very high | 95.2 | Very high | 254 Ų | 254 | 52.9 Ų | 52.9 | 96% | 0.958 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -14.5 | 174.1 | -65.2 | -176.5 | 178.7 | 176.4 | -0.6 | 112.9 | R491 | R491-R493 PolarHBondContact O-N 2.78Š|
| 494 | S | 95.2 | Very high | 94.9 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 52% | 0.524 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -0.3 | -179.5 | 66.8 | 0 | 0 | 0 | 0 | 112.9 | S492 D496 P542 E545 | S492-S494 PolarHBondContact O-N 2.71Å; S492-S494 PolarHBondContact OG-N 3.49Å; S492-S494 PolarHBondContact OG-OG 2.77Å; S494-D496 PolarHBondContact O-N 3.01Å; S494-P542 WeakPolarHBondContact OG-CB 3.2Å; S494-E545 PolarHBondContact OG-OE1 3.38Å |
| 495 | L | 96.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | trans | -67.9 | 120.9 | 177.9 | -172.4 | 68.3 | 0 | 0 | 0 | 111.3 | L489 Y499 Q500 L503 L541 | L489-L495 HydrophobicContact CB-CD2 4.33Å; L489-L495 HydrophobicContact CD2-CD1 4.1Å; L489-L495 WeakPolarHBondContact O-CD2 3.38Å; L495-Y499 HydrophobicContact CD1-CD2 4Å; L495-Y499 HydrophobicContact CD1-CG 4.01Å; L495-Q500 HydrophobicContact CD2-CG 3.9Å; L495-Q500 HydrophobicContact CG-CG 4.3Å; L495-Q500 PolarHBondContact O-NE2 3.17Å; L495-L503 HydrophobicContact CD2-CD1 3.86Å; L495-L541 HydrophobicContact CD1-CD2 3.88Å | ||
| 496 | D | 95.5 | Very high | 94.5 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | trans | -58.8 | 143.4 | 177.3 | -170.2 | -85.9 | 0 | 0 | 0 | 112.1 | S494 S498 Y499 Q500 P539 | S494-D496 PolarHBondContact O-N 3.01Å; D496-S498 PolarHBondContact O-N 3.22Å; D496-S498 VanDerWaalsContact O-N 3.13Å; D496-S498 WeakPolarHBondContact OD1-CB 3.2Å; D496-S498 PolarHBondContact OD1-N 3.25Å; D496-S498 PolarHBondContact OD1-OG 3.44Å; D496-Y499 HydrophobicContact CB-CD2 4Å; D496-Y499 PolarHBondContact O-N 3.11Å; D496-Q500 PolarHBondContact O-N 2.91Å; D496-P539 HydrophobicContact CB-CB 3.88Å; D496-P539 HydrophobicContact CB-CG 4.12Å | ||
| 497 | Y | 93.8 | Very high | 94.4 | Very high | 127 Ų | 127 | 49.1 Ų | 49.1 | 50% | 0.498 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -52.5 | -35.3 | 178.2 | 171.5 | -101.8 | 0 | 0 | 0 | 113 | P422 Y499 Q500 Q501 | P422-Y497 HydrophobicContact CG-CE1 4.01Å; Y497-Y499 VanDerWaalsContact C-N 3.33Å; Y497-Y499 PolarHBondContact O-N 3.35Å; Y497-Q500 WeakPolarHBondContact O-CB 3.47Å; Y497-Q500 PolarHBondContact O-N 3.39Å; Y497-Q501 HydrophobicContact CD1-CG 4.18Å; Y497-Q501 HydrophobicContact CD2-CG 4.34Å; Y497-Q501 HydrophobicContact CE1-CG 3.65Å; Y497-Q501 HydrophobicContact CE2-CG 3.83Å; Y497-Q501 VanDerWaalsContact CZ-CG 3.45Å; Y497-Q501 WeakPolarHBondContact O-CG 3.2Å; Y497-Q501 PolarHBondContact O-N 3.4Å; Y497-Q501 PolarHBondContact OH-NE2 3.4Å |
| 498 | S | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 178.7 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | F423 D496 Q501 F502 | F423-S498 PolarHBondContact N-OG 2.9Å; F423-S498 WeakPolarHBondContact O-CB 3.45Å; D496-S498 PolarHBondContact O-N 3.22Å; D496-S498 VanDerWaalsContact O-N 3.13Å; D496-S498 WeakPolarHBondContact OD1-CB 3.2Å; D496-S498 PolarHBondContact OD1-N 3.25Å; D496-S498 PolarHBondContact OD1-OG 3.44Å; S498-Q501 PolarHBondContact O-N 3.42Å; S498-F502 WeakPolarHBondContact O-CD2 3.1Å; S498-F502 WeakPolarHBondContact O-CG 3.4Å; S498-F502 PolarHBondContact O-N 3.47Å |
| 499 | Y | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | 175.6 | -71.8 | -69.3 | 0 | 0 | 0 | 111.7 | V424 L495 D496 Y497 Q501 F502 L503 I512 C537 P539 L541 | V424-Y499 HydrophobicContact CB-CE1 4.37Å; V424-Y499 HydrophobicContact CG1-CD1 4.48Å; V424-Y499 HydrophobicContact CG1-CE1 3.64Å; V424-Y499 HydrophobicContact CG2-CD1 3.89Å; V424-Y499 HydrophobicContact CG2-CE1 3.68Å; V424-Y499 HydrophobicContact CG2-CE2 4.36Å; V424-Y499 HydrophobicContact CG2-CG 4.31Å; L495-Y499 HydrophobicContact CD1-CD2 4Å; L495-Y499 HydrophobicContact CD1-CG 4.01Å; D496-Y499 HydrophobicContact CB-CD2 4Å; D496-Y499 PolarHBondContact O-N 3.11Å; Y497-Y499 VanDerWaalsContact C-N 3.33Å; Y497-Y499 PolarHBondContact O-N 3.35Å; Y499-Q501 VanDerWaalsContact C-N 3.27Å; Y499-Q501 PolarHBondContact O-N 3.39Å; Y499-F502 PolarHBondContact O-N 3.29Å; Y499-L503 VanDerWaalsContact O-CB 3.28Å; Y499-L503 WeakPolarHBondContact O-CB 3.49Å; Y499-L503 WeakPolarHBondContact O-CD1 3.36Å; Y499-L503 WeakPolarHBondContact O-CG 3.4Å; Y499-L503 PolarHBondContact O-N 2.92Å; Y499-I512 HydrophobicContact CD1-CD1 4.05Å; Y499-I512 HydrophobicContact CD1-CG1 4.31Å; Y499-I512 HydrophobicContact CD1-CG2 4.32Å; Y499-C537 WeakPolarHBondContact OH-CB 3.36Å; Y499-P539 HydrophobicContact CE2-CB 4.27Å; Y499-P539 VanDerWaalsContact CE2-O 3.24Å; Y499-P539 WeakPolarHBondContact CE2-O 3.4Å; Y499-P539 PolarHBondContact OH-O 2.95Å; Y499-L541 HydrophobicContact CD1-CD2 3.81Å; Y499-L541 HydrophobicContact CD2-CD2 3.78Å; Y499-L541 HydrophobicContact CE1-CD1 4.36Å; Y499-L541 HydrophobicContact CE1-CD2 3.71Å; Y499-L541 HydrophobicContact CE1-CG 4.01Å; Y499-L541 HydrophobicContact CE2-CD2 3.69Å; Y499-L541 HydrophobicContact CE2-CG 3.93Å; Y499-L541 HydrophobicContact CG-CD2 3.85Å |
| 500 | Q | 93.8 | Very high | 94.4 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.6 | -41.5 | 176.4 | -61.9 | 174.9 | 1.7 | 0 | 0 | 111.5 | L495 D496 Y497 | L495-Q500 HydrophobicContact CD2-CG 3.9Å; L495-Q500 HydrophobicContact CG-CG 4.3Å; L495-Q500 PolarHBondContact O-NE2 3.17Å; D496-Q500 PolarHBondContact O-N 2.91Å; Y497-Q500 WeakPolarHBondContact O-CB 3.47Å; Y497-Q500 PolarHBondContact O-N 3.39Å |
| 501 | Q | 93.9 | Very high | 94.6 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.4 | -42 | 176.4 | -65.3 | -61.2 | -54.2 | 0 | 0 | 112.4 | L229 P422 Y497 S498 Y499 S504 | L229-Q501 HydrophobicContact CD1-CB 3.79Å; L229-Q501 HydrophobicContact CG-CB 4.42Å; P422-Q501 HydrophobicContact CB-CB 4.19Å; P422-Q501 HydrophobicContact CG-CB 3.96Å; P422-Q501 HydrophobicContact CG-CG 3.83Å; Y497-Q501 HydrophobicContact CD1-CG 4.18Å; Y497-Q501 HydrophobicContact CD2-CG 4.34Å; Y497-Q501 HydrophobicContact CE1-CG 3.65Å; Y497-Q501 HydrophobicContact CE2-CG 3.83Å; Y497-Q501 VanDerWaalsContact CZ-CG 3.45Å; Y497-Q501 WeakPolarHBondContact O-CG 3.2Å; Y497-Q501 PolarHBondContact O-N 3.4Å; Y497-Q501 PolarHBondContact OH-NE2 3.4Å; S498-Q501 PolarHBondContact O-N 3.42Å; Y499-Q501 VanDerWaalsContact C-N 3.27Å; Y499-Q501 PolarHBondContact O-N 3.39Å; Q501-S504 PolarHBondContact O-N 3.47Å; Q501-S504 PolarHBondContact O-OG 2.93Å |
| 502 | F | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -78.3 | -25.6 | -178.5 | -67.1 | -43.5 | 0 | 0 | 0 | 114 | L229 A329 P399 F401 P422 V424 S498 Y499 S504 D505 L508 I512 | L229-F502 HydrophobicContact CD1-CD1 3.94Å; L229-F502 HydrophobicContact CD1-CE1 3.84Å; A329-F502 HydrophobicContact CB-CE1 4.05Å; P399-F502 HydrophobicContact CB-CE1 4.03Å; P399-F502 HydrophobicContact CB-CZ 4.31Å; F401-F502 HydrophobicContact CB-CZ 4.37Å; F401-F502 HydrophobicContact CD2-CB 4.25Å; F401-F502 HydrophobicContact CD2-CD1 4.34Å; F401-F502 AromaticContact CD2-CD2 3.58Å; F401-F502 HydrophobicContact CD2-CD2 3.58Å; F401-F502 AromaticContact CD2-CE2 3.87Å; F401-F502 HydrophobicContact CD2-CE2 3.87Å; F401-F502 AromaticContact CD2-CG 3.82Å; F401-F502 HydrophobicContact CD2-CG 3.82Å; F401-F502 HydrophobicContact CD2-CZ 4.35Å; F401-F502 HydrophobicContact CE2-CB 4.3Å; F401-F502 HydrophobicContact CE2-CD2 4.05Å; F401-F502 HydrophobicContact CE2-CG 4.31Å; P422-F502 HydrophobicContact CB-CE1 4.12Å; P422-F502 HydrophobicContact CB-CE2 3.96Å; P422-F502 HydrophobicContact CB-CZ 3.7Å; P422-F502 WeakPolarHBondContact O-CZ 3.42Å; V424-F502 HydrophobicContact CB-CD2 3.99Å; V424-F502 HydrophobicContact CB-CE2 3.89Å; V424-F502 HydrophobicContact CG2-CD2 3.59Å; V424-F502 HydrophobicContact CG2-CE2 3.75Å; S498-F502 WeakPolarHBondContact O-CD2 3.1Å; S498-F502 WeakPolarHBondContact O-CG 3.4Å; S498-F502 PolarHBondContact O-N 3.47Å; Y499-F502 PolarHBondContact O-N 3.29Å; F502-S504 PolarHBondContact O-N 2.83Å; F502-D505 PolarHBondContact O-N 3.47Å; F502-L508 HydrophobicContact CB-CB 4.11Å; F502-L508 HydrophobicContact CB-CD1 4.09Å; F502-L508 HydrophobicContact CD1-CD1 3.34Å; F502-L508 HydrophobicContact CE1-CD1 4Å; F502-L508 HydrophobicContact CG-CD1 3.98Å; F502-L508 VanDerWaalsContact O-CB 3.29Å; F502-L508 WeakPolarHBondContact O-CB 3.48Å; F502-I512 HydrophobicContact CB-CD1 3.94Å |
| 503 | L | 94.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.9 | 173.2 | -75.4 | 167.8 | 0 | 0 | 0 | 112.4 | I221 Y486 L489 M490 L495 Y499 R509 I512 | I221-L503 VanDerWaalsContact CD1-O 3.24Å; I221-L503 WeakPolarHBondContact CD1-O 3.47Å; Y486-L503 HydrophobicContact CD2-CD2 4.26Å; Y486-L503 HydrophobicContact CE2-CB 4.39Å; L489-L503 HydrophobicContact CB-CD1 4.29Å; L489-L503 HydrophobicContact CD1-CD1 4.41Å; L489-L503 HydrophobicContact CD1-CD2 4.36Å; M490-L503 HydrophobicContact SD-CD1 3.93Å; L495-L503 HydrophobicContact CD2-CD1 3.86Å; Y499-L503 VanDerWaalsContact O-CB 3.28Å; Y499-L503 WeakPolarHBondContact O-CB 3.49Å; Y499-L503 WeakPolarHBondContact O-CD1 3.36Å; Y499-L503 WeakPolarHBondContact O-CG 3.4Å; Y499-L503 PolarHBondContact O-N 2.92Å; L503-R509 HydrophobicContact CD2-CB 4.41Å; L503-R509 HydrophobicContact CD2-CG 3.9Å; L503-R509 WeakPolarHBondContact O-CB 3.39Å; L503-R509 WeakPolarHBondContact O-CG 3.32Å; L503-R509 PolarHBondContact O-NE 2.88Å; L503-I512 HydrophobicContact CD2-CB 4.24Å; L503-I512 HydrophobicContact CD2-CD1 3.98Å; L503-I512 HydrophobicContact CD2-CG2 4.07Å; L503-I512 HydrophobicContact CG-CD1 4.06Å |
| 504 | S | 90.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 21.6 Ų | 21.6 | 15% | 0.154 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -30.1 | 176.1 | 76.6 | 0 | 0 | 0 | 0 | 112.7 | G227 Q501 F502 R509 | G227-S504 PolarHBondContact O-OG 3.16Å; Q501-S504 PolarHBondContact O-N 3.47Å; Q501-S504 PolarHBondContact O-OG 2.93Å; F502-S504 PolarHBondContact O-N 2.83Å; S504-R509 PolarHBondContact O-NH2 2.91Å |
| 505 | D | 92.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 18.3 Ų | 18.3 | 5% | 0.048 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -80.3 | 134.2 | 174.7 | 178.3 | -90.3 | 0 | 0 | 0 | 111.7 | Q230 L231 F502 F507 L508 R509 | Q230-D505 WeakPolarHBondContact CA-OD2 3.46Å; L231-D505 PolarHBondContact N-OD2 3.03Å; F502-D505 PolarHBondContact O-N 3.47Å; D505-F507 PolarHBondContact O-N 3.19Å; D505-F507 WeakPolarHBondContact OD1-CA 3.5Å; D505-F507 WeakPolarHBondContact OD1-CB 3.44Å; D505-F507 PolarHBondContact OD1-N 3.4Å; D505-L508 HydrophobicContact CB-CB 4.17Å; D505-L508 HydrophobicContact CB-CD1 4.18Å; D505-L508 HydrophobicContact CB-CG 4.22Å; D505-L508 PolarHBondContact OD1-N 2.85Å; D505-R509 WeakPolarHBondContact O-CB 3.41Å; D505-R509 PolarHBondContact O-N 3.02Å |
| 506 | D | 91.9 | Very high | 95.4 | Very high | 35 Ų | 35 | 18 Ų | 18 | 19% | 0.187 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -41 | -175.7 | -61.4 | -32.4 | 0 | 0 | 0 | 113.4 | L213 T218 R262 R509 I510 | L213-D506 HydrophobicContact CD1-CB 4.48Å; L213-D506 HydrophobicContact CD2-CB 3.57Å; T218-D506 HydrophobicContact CG2-CB 4.2Å; R262-D506 IonicContact CZ-OD2 3.51Å; R262-D506 IonicContact NH1-OD2 3.37Å; R262-D506 PolarHBondContact NH1-OD2 2.97Å; R262-D506 IonicContact NH2-OD2 2.79Å; R262-D506 PolarHBondContact NH2-OD2 3.43Å; D506-R509 IonicContact OD1-CZ 3.81Å; D506-R509 IonicContact OD1-NH1 3.74Å; D506-R509 PolarHBondContact OD1-NH1 3.13Å; D506-R509 IonicContact OD1-NH2 2.92Å; D506-R509 PolarHBondContact OD1-NH2 3.35Å; D506-I510 PolarHBondContact O-N 2.91Å; D506-I510 VanDerWaalsContact O-N 3.11Å |
| 507 | F | 94.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.013 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -73.3 | -43.9 | -177.2 | -72.2 | -72.1 | 0 | 0 | 0 | 111.2 | L213 L231 F260 R262 P300 D505 I510 I511 | L213-F507 HydrophobicContact CB-CD1 4.18Å; L213-F507 HydrophobicContact CB-CE1 3.68Å; L213-F507 HydrophobicContact CB-CZ 4.36Å; L213-F507 HydrophobicContact CD2-CD1 3.72Å; L213-F507 HydrophobicContact CD2-CD2 4.17Å; L213-F507 HydrophobicContact CD2-CE1 3.62Å; L213-F507 HydrophobicContact CD2-CE2 4.08Å; L213-F507 HydrophobicContact CD2-CG 4.02Å; L213-F507 HydrophobicContact CD2-CZ 3.84Å; L213-F507 HydrophobicContact CG-CD1 4.38Å; L213-F507 HydrophobicContact CG-CE1 4.23Å; L231-F507 HydrophobicContact CD2-CB 3.64Å; L231-F507 HydrophobicContact CD2-CD2 4.35Å; L231-F507 HydrophobicContact CD2-CG 4.19Å; F260-F507 VanDerWaalsContact C-CE1 3.49Å; F260-F507 HydrophobicContact CD1-CB 4.29Å; F260-F507 HydrophobicContact CD1-CD1 4.16Å; F260-F507 HydrophobicContact CD1-CG 4.45Å; R262-F507 HydrophobicContact CG-CE2 4.35Å; R262-F507 HydrophobicContact CG-CZ 3.79Å; P300-F507 VanDerWaalsContact CD-CE2 3.49Å; P300-F507 HydrophobicContact CG-CE2 4.27Å; D505-F507 PolarHBondContact O-N 3.19Å; D505-F507 WeakPolarHBondContact OD1-CA 3.5Å; D505-F507 WeakPolarHBondContact OD1-CB 3.44Å; D505-F507 PolarHBondContact OD1-N 3.4Å; F507-I510 WeakPolarHBondContact O-CG2 3.42Å; F507-I510 PolarHBondContact O-N 3.37Å; F507-I511 VanDerWaalsContact O-CG1 3.31Å; F507-I511 WeakPolarHBondContact O-CG1 3.38Å; F507-I511 PolarHBondContact O-N 3.4Å; F507-I511 VanDerWaalsContact O-N 3.15Å |
| 508 | L | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -69.5 | -39.5 | 179.2 | -61 | -179.8 | 0 | 0 | 0 | 111 | L231 A329 L331 F401 F502 D505 I510 I511 I512 | L231-L508 HydrophobicContact CB-CD1 4.48Å; L231-L508 HydrophobicContact CB-CG 4.29Å; L231-L508 HydrophobicContact CD1-CD2 4.28Å; L231-L508 HydrophobicContact CD2-CD2 4.13Å; L231-L508 HydrophobicContact CD2-CG 4.46Å; A329-L508 HydrophobicContact CB-CD1 4.23Å; L331-L508 HydrophobicContact CD1-CD2 3.55Å; F401-L508 HydrophobicContact CB-CD2 4.02Å; F401-L508 HydrophobicContact CD1-CD2 4.21Å; F401-L508 HydrophobicContact CD2-CD1 4.41Å; F401-L508 HydrophobicContact CD2-CD2 3.9Å; F401-L508 HydrophobicContact CE2-CD2 4.43Å; F401-L508 HydrophobicContact CG-CD2 3.78Å; F502-L508 HydrophobicContact CB-CB 4.11Å; F502-L508 HydrophobicContact CB-CD1 4.09Å; F502-L508 HydrophobicContact CD1-CD1 3.34Å; F502-L508 HydrophobicContact CE1-CD1 4Å; F502-L508 HydrophobicContact CG-CD1 3.98Å; F502-L508 VanDerWaalsContact O-CB 3.29Å; F502-L508 WeakPolarHBondContact O-CB 3.48Å; D505-L508 HydrophobicContact CB-CB 4.17Å; D505-L508 HydrophobicContact CB-CD1 4.18Å; D505-L508 HydrophobicContact CB-CG 4.22Å; D505-L508 PolarHBondContact OD1-N 2.85Å; L508-I510 PolarHBondContact O-N 2.97Å; L508-I511 PolarHBondContact O-N 3.06Å; L508-I512 WeakPolarHBondContact O-CD1 3.3Å; L508-I512 VanDerWaalsContact O-CG1 3.27Å; L508-I512 WeakPolarHBondContact O-CG1 3.37Å; L508-I512 PolarHBondContact O-N 2.99Å |
| 509 | R | 95.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 10.2 Ų | 10.2 | 3% | 0.026 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -55.4 | -51.8 | 172.8 | -171.3 | -165.9 | -39.2 | 145.8 | 13.2 | 111.5 | P219 Y486 L503 S504 D505 D506 I511 I512 L513 | P219-R509 PolarHBondContact O-NH1 3.49Å; Y486-R509 HydrophobicContact CD2-CG 4.13Å; Y486-R509 HydrophobicContact CE2-CG 4.34Å; L503-R509 HydrophobicContact CD2-CB 4.41Å; L503-R509 HydrophobicContact CD2-CG 3.9Å; L503-R509 WeakPolarHBondContact O-CB 3.39Å; L503-R509 WeakPolarHBondContact O-CG 3.32Å; L503-R509 PolarHBondContact O-NE 2.88Å; S504-R509 PolarHBondContact O-NH2 2.91Å; D505-R509 WeakPolarHBondContact O-CB 3.41Å; D505-R509 PolarHBondContact O-N 3.02Å; D506-R509 IonicContact OD1-CZ 3.81Å; D506-R509 IonicContact OD1-NH1 3.74Å; D506-R509 PolarHBondContact OD1-NH1 3.13Å; D506-R509 IonicContact OD1-NH2 2.92Å; D506-R509 PolarHBondContact OD1-NH2 3.35Å; R509-I511 VanDerWaalsContact C-N 3.29Å; R509-I511 PolarHBondContact O-N 2.93Å; R509-I512 PolarHBondContact O-N 2.91Å; R509-L513 HydrophobicContact CG-CD1 3.97Å; R509-L513 VanDerWaalsContact O-CG 3.24Å; R509-L513 WeakPolarHBondContact O-CG 3.4Å; R509-L513 PolarHBondContact O-N 3.25Å |
| 510 | I | 95.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.8 | -38 | -177.8 | -161.1 | 67.2 | 0 | 0 | 0 | 111.4 | L213 N217 L482 D506 F507 L508 L513 R514 | L213-I510 HydrophobicContact CD1-CB 4.33Å; L213-I510 HydrophobicContact CD1-CG2 3.97Å; N217-I510 VanDerWaalsContact O-CD1 3.27Å; N217-I510 WeakPolarHBondContact O-CD1 3.35Å; L482-I510 HydrophobicContact CD1-CD1 3.84Å; D506-I510 PolarHBondContact O-N 2.91Å; D506-I510 VanDerWaalsContact O-N 3.11Å; F507-I510 WeakPolarHBondContact O-CG2 3.42Å; F507-I510 PolarHBondContact O-N 3.37Å; L508-I510 PolarHBondContact O-N 2.97Å; I510-L513 PolarHBondContact O-N 2.9Å; I510-R514 HydrophobicContact CG1-CG 4.32Å; I510-R514 WeakPolarHBondContact O-CB 3.42Å; I510-R514 WeakPolarHBondContact O-CG 3.46Å; I510-R514 PolarHBondContact O-N 3.25Å |
| 511 | I | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.9 | -71.2 | -64.2 | 0 | 0 | 0 | 111.7 | M256 T259 F260 F401 I403 L426 L450 F507 L508 R509 L513 R514 Y515 | M256-I511 HydrophobicContact CE-CD1 4.07Å; T259-I511 HydrophobicContact CG2-CD1 3.67Å; F260-I511 HydrophobicContact CE1-CD1 4.18Å; F260-I511 HydrophobicContact CE1-CG1 3.86Å; F260-I511 HydrophobicContact CZ-CD1 4.18Å; F260-I511 HydrophobicContact CZ-CG1 4.19Å; F401-I511 HydrophobicContact CE1-CG2 3.87Å; F401-I511 HydrophobicContact CZ-CG2 4.07Å; I403-I511 HydrophobicContact CD1-CG2 3.85Å; L426-I511 HydrophobicContact CD1-CG2 3.65Å; L450-I511 HydrophobicContact CB-CD1 4.21Å; F507-I511 VanDerWaalsContact O-CG1 3.31Å; F507-I511 WeakPolarHBondContact O-CG1 3.38Å; F507-I511 PolarHBondContact O-N 3.4Å; F507-I511 VanDerWaalsContact O-N 3.15Å; L508-I511 PolarHBondContact O-N 3.06Å; R509-I511 VanDerWaalsContact C-N 3.29Å; R509-I511 PolarHBondContact O-N 2.93Å; I511-L513 PolarHBondContact O-N 2.75Å; I511-R514 PolarHBondContact O-N 3.41Å; I511-Y515 WeakPolarHBondContact O-CB 3.49Å; I511-Y515 PolarHBondContact O-N 2.96Å |
| 512 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 177.5 | -67.1 | 160.2 | 0 | 0 | 0 | 110.4 | F401 L489 Y499 F502 L503 L508 R509 R514 Y515 C516 | F401-I512 HydrophobicContact CE2-CD1 4.01Å; F401-I512 HydrophobicContact CE2-CG1 3.86Å; F401-I512 HydrophobicContact CZ-CD1 4.5Å; F401-I512 HydrophobicContact CZ-CG1 3.85Å; L489-I512 HydrophobicContact CD1-CG2 4.08Å; Y499-I512 HydrophobicContact CD1-CD1 4.05Å; Y499-I512 HydrophobicContact CD1-CG1 4.31Å; Y499-I512 HydrophobicContact CD1-CG2 4.32Å; F502-I512 HydrophobicContact CB-CD1 3.94Å; L503-I512 HydrophobicContact CD2-CB 4.24Å; L503-I512 HydrophobicContact CD2-CD1 3.98Å; L503-I512 HydrophobicContact CD2-CG2 4.07Å; L503-I512 HydrophobicContact CG-CD1 4.06Å; L508-I512 WeakPolarHBondContact O-CD1 3.3Å; L508-I512 VanDerWaalsContact O-CG1 3.27Å; L508-I512 WeakPolarHBondContact O-CG1 3.37Å; L508-I512 PolarHBondContact O-N 2.99Å; R509-I512 PolarHBondContact O-N 2.91Å; I512-R514 PolarHBondContact O-N 3.48Å; I512-Y515 WeakPolarHBondContact O-CB 3.45Å; I512-Y515 PolarHBondContact O-N 2.71Å; I512-C516 PolarHBondContact O-N 3.22Å; I512-C516 PolarHBondContact O-SG 2.84Å; I512-C516 VanDerWaalsContact O-SG 3.35Å |
| 513 | L | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.8 | -38.6 | -178.6 | -62.2 | 172.4 | 0 | 0 | 0 | 112.1 | P219 L482 C485 L489 R509 I510 I511 Y515 C516 F517 | P219-L513 HydrophobicContact CG-CD1 3.79Å; L482-L513 HydrophobicContact CB-CB 4.43Å; L482-L513 HydrophobicContact CB-CD1 4.37Å; L482-L513 HydrophobicContact CD2-CB 3.62Å; C485-L513 HydrophobicContact CB-CD2 4.04Å; L489-L513 HydrophobicContact CD1-CD2 3.94Å; R509-L513 HydrophobicContact CG-CD1 3.97Å; R509-L513 VanDerWaalsContact O-CG 3.24Å; R509-L513 WeakPolarHBondContact O-CG 3.4Å; R509-L513 PolarHBondContact O-N 3.25Å; I510-L513 PolarHBondContact O-N 2.9Å; I511-L513 PolarHBondContact O-N 2.75Å; L513-Y515 VanDerWaalsContact C-N 3.33Å; L513-C516 WeakPolarHBondContact O-CB 3.48Å; L513-C516 PolarHBondContact O-N 2.83Å; L513-F517 PolarHBondContact O-N 2.79Å |
| 514 | R | 98 | Very high | 96.1 | Very high | 17 Ų | 17 | 9.2 Ų | 9.2 | 6% | 0.064 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -67.4 | -33.8 | 174.1 | -69 | 179.7 | -179.1 | 173.4 | 1.5 | 112.2 | L450 H451 P453 L482 I510 I511 I512 F517 C518 | L450-R514 HydrophobicContact CD2-CB 4.4Å; L450-R514 WeakPolarHBondContact O-CD 3.43Å; L450-R514 PolarHBondContact O-NH1 2.88Å; H451-R514 PolarHBondContact O-NH1 3.06Å; P453-R514 HydrophobicContact CG-CB 4.14Å; P453-R514 HydrophobicContact CG-CG 3.54Å; L482-R514 HydrophobicContact CD2-CG 4.33Å; I510-R514 HydrophobicContact CG1-CG 4.32Å; I510-R514 WeakPolarHBondContact O-CB 3.42Å; I510-R514 WeakPolarHBondContact O-CG 3.46Å; I510-R514 PolarHBondContact O-N 3.25Å; I511-R514 PolarHBondContact O-N 3.41Å; I512-R514 PolarHBondContact O-N 3.48Å; R514-F517 PolarHBondContact O-N 3.47Å; R514-C518 WeakPolarHBondContact O-CB 3.42Å; R514-C518 PolarHBondContact O-N 2.8Å |
| 515 | Y | 98.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 8.4 Ų | 8.4 | 2% | 0.024 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 169.6 | 168.9 | -81.8 | 0 | 0 | 0 | 111.3 | L426 F446 I511 I512 L513 F517 C518 N519 P535 S536 C537 L541 | L426-Y515 HydrophobicContact CB-CD2 4Å; L426-Y515 HydrophobicContact CB-CE2 4.32Å; L426-Y515 HydrophobicContact CD1-CD2 4.05Å; L426-Y515 HydrophobicContact CD1-CG 4.1Å; L426-Y515 HydrophobicContact CD2-CD1 4.29Å; L426-Y515 HydrophobicContact CD2-CD2 3.81Å; L426-Y515 HydrophobicContact CD2-CE2 4.07Å; L426-Y515 HydrophobicContact CD2-CG 3.93Å; L426-Y515 HydrophobicContact CG-CD2 4.18Å; F446-Y515 AromaticContact CE2-CD2 3.79Å; F446-Y515 HydrophobicContact CE2-CD2 3.79Å; F446-Y515 HydrophobicContact CE2-CE2 4.22Å; F446-Y515 AromaticContact CZ-CD2 3.94Å; F446-Y515 HydrophobicContact CZ-CD2 3.94Å; F446-Y515 HydrophobicContact CZ-CE2 4.36Å; I511-Y515 WeakPolarHBondContact O-CB 3.49Å; I511-Y515 PolarHBondContact O-N 2.96Å; I512-Y515 WeakPolarHBondContact O-CB 3.45Å; I512-Y515 PolarHBondContact O-N 2.71Å; L513-Y515 VanDerWaalsContact C-N 3.33Å; Y515-F517 VanDerWaalsContact C-N 3.32Å; Y515-F517 PolarHBondContact O-N 2.78Å; Y515-C518 WeakPolarHBondContact O-CB 3.46Å; Y515-C518 PolarHBondContact O-N 2.84Å; Y515-N519 HydrophobicContact CE1-CB 4.28Å; Y515-N519 WeakPolarHBondContact O-CB 3.32Å; Y515-N519 PolarHBondContact O-N 3.29Å; Y515-P535 HydrophobicContact CD2-CB 4.45Å; Y515-P535 HydrophobicContact CE2-CB 3.75Å; Y515-P535 HydrophobicContact CE2-CG 4.11Å; Y515-P535 PolarHBondContact OH-O 2.98Å; Y515-S536 WeakPolarHBondContact OH-CA 3.36Å; Y515-S536 PolarHBondContact OH-O 3.01Å; Y515-C537 HydrophobicContact CE1-CB 4.25Å; Y515-C537 HydrophobicContact CE2-CB 4.27Å; Y515-C537 PolarHBondContact OH-N 3.18Å; Y515-C537 PolarHBondContact OH-SG 3.25Å; Y515-L541 HydrophobicContact CD1-CD1 3.75Å; Y515-L541 HydrophobicContact CE1-CD1 3.67Å |
| 516 | C | 98.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.014 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 177 | -66 | 0 | 0 | 0 | 0 | 111.4 | C485 I512 L513 N519 I520 | C485-C516 WeakPolarHBondContact SG-CB 3.5Å; I512-C516 PolarHBondContact O-N 3.22Å; I512-C516 PolarHBondContact O-SG 2.84Å; I512-C516 VanDerWaalsContact O-SG 3.35Å; L513-C516 WeakPolarHBondContact O-CB 3.48Å; L513-C516 PolarHBondContact O-N 2.83Å; C516-N519 PolarHBondContact O-N 3.02Å; C516-I520 WeakPolarHBondContact O-CG1 3.46Å; C516-I520 PolarHBondContact O-N 3.33Å |
| 517 | F | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 174 | -178.5 | -95.7 | 0 | 0 | 0 | 111.8 | F449 P453 F457 I478 F481 L513 R514 Y515 N519 I520 V521 I556 L559 | F449-F517 AromaticContact CD1-CD1 3.88Å; F449-F517 HydrophobicContact CD1-CD1 3.88Å; F449-F517 HydrophobicContact CD1-CE1 4.07Å; F449-F517 AromaticContact CE1-CD1 3.95Å; F449-F517 HydrophobicContact CE1-CD1 3.95Å; F449-F517 AromaticContact CE1-CE1 3.77Å; F449-F517 HydrophobicContact CE1-CE1 3.77Å; P453-F517 HydrophobicContact CB-CD1 3.6Å; P453-F517 HydrophobicContact CB-CE1 3.71Å; P453-F517 HydrophobicContact CB-CG 4.37Å; F457-F517 HydrophobicContact CB-CE1 4.44Å; F457-F517 HydrophobicContact CB-CZ 4.49Å; F457-F517 HydrophobicContact CD2-CZ 4.09Å; I478-F517 HydrophobicContact CD1-CD2 4.11Å; I478-F517 HydrophobicContact CD1-CE1 3.86Å; I478-F517 HydrophobicContact CD1-CE2 3.25Å; I478-F517 HydrophobicContact CD1-CZ 3.11Å; F481-F517 HydrophobicContact CD1-CB 4.01Å; F481-F517 AromaticContact CD1-CD2 3.58Å; F481-F517 HydrophobicContact CD1-CD2 3.58Å; F481-F517 HydrophobicContact CD1-CG 4.26Å; F481-F517 HydrophobicContact CD2-CD2 4.05Å; F481-F517 HydrophobicContact CE1-CB 3.52Å; F481-F517 AromaticContact CE1-CD2 3.67Å; F481-F517 HydrophobicContact CE1-CD2 3.67Å; F481-F517 HydrophobicContact CE1-CG 4.09Å; F481-F517 HydrophobicContact CE2-CD2 4.09Å; F481-F517 AromaticContact CG-CD2 3.8Å; F481-F517 HydrophobicContact CG-CD2 3.8Å; F481-F517 HydrophobicContact CG-CE2 4.41Å; F481-F517 HydrophobicContact CZ-CB 4.1Å; F481-F517 AromaticContact CZ-CD2 3.91Å; F481-F517 HydrophobicContact CZ-CD2 3.91Å; F481-F517 HydrophobicContact CZ-CG 4.48Å; L513-F517 PolarHBondContact O-N 2.79Å; R514-F517 PolarHBondContact O-N 3.47Å; Y515-F517 VanDerWaalsContact C-N 3.32Å; Y515-F517 PolarHBondContact O-N 2.78Å; F517-N519 PolarHBondContact O-N 3.08Å; F517-I520 PolarHBondContact O-N 3.23Å; F517-V521 HydrophobicContact CD1-CG2 4.02Å; F517-V521 HydrophobicContact CD2-CG2 4.27Å; F517-V521 HydrophobicContact CE1-CG2 3.65Å; F517-V521 HydrophobicContact CE2-CG2 3.9Å; F517-V521 HydrophobicContact CG-CG2 4.34Å; F517-V521 HydrophobicContact CZ-CG2 3.56Å; F517-V521 WeakPolarHBondContact O-CB 3.48Å; F517-V521 VanDerWaalsContact O-CG2 3.27Å; F517-V521 WeakPolarHBondContact O-CG2 3.31Å; F517-V521 PolarHBondContact O-N 3.36Å; F517-I556 HydrophobicContact CD2-CD1 3.77Å; F517-I556 HydrophobicContact CE2-CD1 3.3Å; F517-I556 HydrophobicContact CZ-CD1 4.13Å; F517-L559 HydrophobicContact CE2-CD2 4.28Å; F517-L559 HydrophobicContact CZ-CD2 3.89Å |
| 518 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -53.6 | -52.6 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | F449 R514 Y515 I520 V521 L522 | F449-C518 HydrophobicContact CB-CB 3.69Å; F449-C518 HydrophobicContact CD1-CB 3.89Å; F449-C518 HydrophobicContact CD2-CB 4.25Å; F449-C518 VanDerWaalsContact CD2-SG 3.52Å; F449-C518 HydrophobicContact CG-CB 3.69Å; F449-C518 VanDerWaalsContact CG-SG 3.58Å; R514-C518 WeakPolarHBondContact O-CB 3.42Å; R514-C518 PolarHBondContact O-N 2.8Å; Y515-C518 WeakPolarHBondContact O-CB 3.46Å; Y515-C518 PolarHBondContact O-N 2.84Å; C518-I520 PolarHBondContact O-N 3.13Å; C518-V521 PolarHBondContact O-N 3.04Å; C518-L522 WeakPolarHBondContact O-CG 3.49Å; C518-L522 PolarHBondContact O-N 3.18Å |
| 519 | N | 97.3 | Very high | 96.3 | Very high | 25 Ų | 25 | 20.5 Ų | 20.5 | 13% | 0.134 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | -177 | -177.9 | -92.8 | 0 | 0 | 0 | 112 | Y515 C516 F517 Q523 P535 | Y515-N519 HydrophobicContact CE1-CB 4.28Å; Y515-N519 WeakPolarHBondContact O-CB 3.32Å; Y515-N519 PolarHBondContact O-N 3.29Å; C516-N519 PolarHBondContact O-N 3.02Å; F517-N519 PolarHBondContact O-N 3.08Å; N519-Q523 WeakPolarHBondContact O-CB 3.41Å; N519-Q523 VanDerWaalsContact O-CG 3.31Å; N519-Q523 WeakPolarHBondContact O-CG 3.3Å; N519-Q523 PolarHBondContact O-N 3.23Å; N519-Q523 PolarHBondContact OD1-NE2 3.46Å; N519-P535 HydrophobicContact CB-CG 3.83Å; N519-P535 PolarHBondContact ND2-O 3.49Å; N519-P535 VanDerWaalsContact ND2-O 3.17Å |
| 520 | I | 96.7 | Very high | 96.1 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.7 | -44.8 | 178.5 | -70.1 | 165.2 | 0 | 0 | 0 | 111.2 | F481 C516 F517 C518 L522 Q523 L524 L546 I547 L552 I556 | F481-I520 HydrophobicContact CE2-CD1 4.27Å; F481-I520 HydrophobicContact CZ-CD1 3.77Å; C516-I520 WeakPolarHBondContact O-CG1 3.46Å; C516-I520 PolarHBondContact O-N 3.33Å; F517-I520 PolarHBondContact O-N 3.23Å; C518-I520 PolarHBondContact O-N 3.13Å; I520-L522 VanDerWaalsContact C-N 3.35Å; I520-L522 PolarHBondContact O-N 2.81Å; I520-Q523 PolarHBondContact O-N 3.41Å; I520-L524 HydrophobicContact CG2-CD1 3.6Å; I520-L524 HydrophobicContact CG2-CG 4.26Å; I520-L524 WeakPolarHBondContact O-CB 3.44Å; I520-L524 VanDerWaalsContact O-CG 3.3Å; I520-L524 WeakPolarHBondContact O-CG 3.24Å; I520-L524 PolarHBondContact O-N 3.32Å; I520-L546 HydrophobicContact CD1-CB 4.33Å; I520-I547 HydrophobicContact CG1-CD1 4.26Å; I520-I547 HydrophobicContact CG2-CD1 4.38Å; I520-L552 HydrophobicContact CD1-CD1 4.08Å; I520-I556 HydrophobicContact CG2-CG1 4.03Å |
| 521 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 178 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | F449 F457 F517 C518 L524 H525 I556 F569 | F449-V521 HydrophobicContact CE1-CB 4.21Å; F449-V521 HydrophobicContact CE1-CG1 4.04Å; F449-V521 HydrophobicContact CE1-CG2 4.49Å; F449-V521 HydrophobicContact CZ-CB 4.32Å; F449-V521 HydrophobicContact CZ-CG1 3.78Å; F457-V521 HydrophobicContact CD2-CG1 3.97Å; F457-V521 HydrophobicContact CD2-CG2 4.02Å; F457-V521 HydrophobicContact CE2-CG1 4.38Å; F457-V521 HydrophobicContact CE2-CG2 4.37Å; F517-V521 HydrophobicContact CD1-CG2 4.02Å; F517-V521 HydrophobicContact CD2-CG2 4.27Å; F517-V521 HydrophobicContact CE1-CG2 3.65Å; F517-V521 HydrophobicContact CE2-CG2 3.9Å; F517-V521 HydrophobicContact CG-CG2 4.34Å; F517-V521 HydrophobicContact CZ-CG2 3.56Å; F517-V521 WeakPolarHBondContact O-CB 3.48Å; F517-V521 VanDerWaalsContact O-CG2 3.27Å; F517-V521 WeakPolarHBondContact O-CG2 3.31Å; F517-V521 PolarHBondContact O-N 3.36Å; C518-V521 PolarHBondContact O-N 3.04Å; V521-L524 PolarHBondContact O-N 2.84Å; V521-H525 VanDerWaalsContact O-CB 3.24Å; V521-H525 WeakPolarHBondContact O-CB 3.27Å; V521-H525 PolarHBondContact O-N 3.33Å; V521-I556 HydrophobicContact CG2-CD1 3.76Å; V521-F569 HydrophobicContact CG1-CE1 4.14Å; V521-F569 HydrophobicContact CG1-CZ 4.47Å |
| 522 | L | 96.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 179.8 | -62.3 | -163.4 | 0 | 0 | 0 | 112.1 | P429 L445 F449 T460 C518 I520 F528 Y534 | P429-L522 HydrophobicContact CG-CD1 3.89Å; L445-L522 HydrophobicContact CD2-CD2 4.46Å; F449-L522 HydrophobicContact CE2-CD2 3.95Å; F449-L522 HydrophobicContact CZ-CD2 4.2Å; T460-L522 HydrophobicContact CG2-CD2 4.27Å; C518-L522 WeakPolarHBondContact O-CG 3.49Å; C518-L522 PolarHBondContact O-N 3.18Å; I520-L522 VanDerWaalsContact C-N 3.35Å; I520-L522 PolarHBondContact O-N 2.81Å; L522-F528 HydrophobicContact CB-CD1 4.35Å; L522-F528 HydrophobicContact CB-CG 4.42Å; L522-F528 HydrophobicContact CD1-CD1 4.24Å; L522-F528 HydrophobicContact CD1-CE1 4.16Å; L522-F528 HydrophobicContact CD2-CD1 3.96Å; L522-F528 HydrophobicContact CD2-CD2 4.24Å; L522-F528 HydrophobicContact CD2-CE1 3.62Å; L522-F528 HydrophobicContact CD2-CE2 3.93Å; L522-F528 HydrophobicContact CD2-CG 4.27Å; L522-F528 HydrophobicContact CD2-CZ 3.6Å; L522-F528 HydrophobicContact CG-CD1 4.41Å; L522-F528 HydrophobicContact CG-CE1 4.4Å; L522-F528 WeakPolarHBondContact O-CB 3.04Å; L522-Y534 HydrophobicContact CB-CD1 4.2Å; L522-Y534 WeakPolarHBondContact O-CE1 3.37Å |
| 523 | Q | 94.7 | Very high | 95.7 | Very high | 55 Ų | 55 | 31 Ų | 31 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 176.2 | -77 | -169.8 | 62.1 | 0 | 0 | 113.3 | N519 I520 Y534 I547 Y575 | N519-Q523 WeakPolarHBondContact O-CB 3.41Å; N519-Q523 VanDerWaalsContact O-CG 3.31Å; N519-Q523 WeakPolarHBondContact O-CG 3.3Å; N519-Q523 PolarHBondContact O-N 3.23Å; N519-Q523 PolarHBondContact OD1-NE2 3.46Å; I520-Q523 PolarHBondContact O-N 3.41Å; Q523-Y534 HydrophobicContact CB-CE1 4.4Å; Q523-Y534 HydrophobicContact CG-CD1 3.85Å; Q523-Y534 HydrophobicContact CG-CD2 3.84Å; Q523-Y534 HydrophobicContact CG-CE1 3.99Å; Q523-Y534 HydrophobicContact CG-CE2 3.96Å; Q523-Y534 HydrophobicContact CG-CG 3.82Å; Q523-I547 HydrophobicContact CB-CD1 4.24Å; Q523-Y575 PolarHBondContact O-OH 3.28Å |
| 524 | L | 94.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -83.5 | -21.4 | -179.2 | -64.5 | 173.3 | 0 | 0 | 0 | 113 | I520 V521 R526 I556 F569 A570 Y575 | I520-L524 HydrophobicContact CG2-CD1 3.6Å; I520-L524 HydrophobicContact CG2-CG 4.26Å; I520-L524 WeakPolarHBondContact O-CB 3.44Å; I520-L524 VanDerWaalsContact O-CG 3.3Å; I520-L524 WeakPolarHBondContact O-CG 3.24Å; I520-L524 PolarHBondContact O-N 3.32Å; V521-L524 PolarHBondContact O-N 2.84Å; L524-R526 PolarHBondContact O-N 2.95Å; L524-I556 HydrophobicContact CD1-CB 4.24Å; L524-I556 HydrophobicContact CD1-CG1 4.37Å; L524-I556 HydrophobicContact CD1-CG2 3.94Å; L524-F569 HydrophobicContact CB-CD1 4.02Å; L524-F569 CarbonylContact O-C 3.59Å; L524-F569 WeakPolarHBondContact O-CA 3.5Å; L524-A570 WeakPolarHBondContact O-CB 3.43Å; L524-A570 PolarHBondContact O-N 3.43Å; L524-Y575 HydrophobicContact CD2-CE2 4.02Å |
| 525 | H | 95.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 122.9 | -176 | -170.8 | -71.2 | 0 | 0 | 0 | 111.1 | T460 V521 S527 F528 F569 | T460-H525 PolarHBondContact O-NE2 2.9Å; V521-H525 VanDerWaalsContact O-CB 3.24Å; V521-H525 WeakPolarHBondContact O-CB 3.27Å; V521-H525 PolarHBondContact O-N 3.33Å; H525-S527 PolarHBondContact CE1-OG 3.49Å; H525-S527 VanDerWaalsContact CE1-OG 3.31Å; H525-S527 PolarHBondContact ND1-N 3.13Å; H525-S527 VanDerWaalsContact ND1-N 3.19Å; H525-S527 PolarHBondContact O-N 3.12Å; H525-F528 HydrophobicContact CB-CD2 3.74Å; H525-F528 HydrophobicContact CB-CE2 4.22Å; H525-F528 AromaticContact CG-CD2 3.76Å; H525-F528 AromaticContact CG-CE2 3.9Å; H525-F528 AromaticContact ND1-CD2 3.44Å; H525-F528 WeakPolarHBondContact ND1-CD2 3.5Å; H525-F528 AromaticContact ND1-CE2 3.61Å; H525-F528 PolarHBondContact O-N 2.96Å; H525-F569 HydrophobicContact CB-CD1 4.28Å; H525-F569 HydrophobicContact CB-CE1 3.97Å; H525-F569 AromaticContact CD2-CE1 3.96Å; H525-F569 AromaticContact CD2-CZ 3.64Å |
| 526 | R | 94.4 | Very high | 95.5 | Very high | 103 Ų | 103 | 33.5 Ų | 33.5 | 39% | 0.389 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.9 | -172.4 | -66.9 | -175.3 | -168.1 | -90.3 | -7.4 | 115.1 | L524 H529 A567 L568 F569 D574 | L524-R526 PolarHBondContact O-N 2.95Å; R526-H529 PolarHBondContact O-CE1 3.11Å; R526-H529 PolarHBondContact O-NE2 2.83Å; R526-A567 WeakPolarHBondContact CD-O 3.42Å; R526-A567 PolarHBondContact NE-O 3.42Å; R526-A567 VanDerWaalsContact NE-O 3.12Å; R526-L568 WeakPolarHBondContact CB-O 3.47Å; R526-L568 WeakPolarHBondContact CG-O 3.44Å; R526-L568 PolarHBondContact N-O 3.09Å; R526-F569 PolarHBondContact NE-O 3.36Å; R526-F569 PolarHBondContact NH2-O 3.21Å; R526-D574 IonicContact CZ-OD1 3.5Å; R526-D574 IonicContact CZ-OD2 3.35Å; R526-D574 IonicContact NH1-OD1 3.49Å; R526-D574 PolarHBondContact NH1-OD1 3.39Å; R526-D574 IonicContact NH1-OD2 3.22Å; R526-D574 PolarHBondContact NH1-OD2 3.08Å; R526-D574 IonicContact NH2-OD1 2.74Å; R526-D574 PolarHBondContact NH2-OD1 3Å; R526-D574 IonicContact NH2-OD2 2.71Å; R526-D574 PolarHBondContact NH2-OD2 3.47Å |
| 527 | S | 94.2 | Very high | 95.5 | Very high | 61 Ų | 61 | 33.8 Ų | 33.8 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.4 | 174.8 | -52.5 | 0 | 0 | 0 | 0 | 114.7 | P433 H525 | P433-S527 WeakPolarHBondContact CG-O 3Å; H525-S527 PolarHBondContact CE1-OG 3.49Å; H525-S527 VanDerWaalsContact CE1-OG 3.31Å; H525-S527 PolarHBondContact ND1-N 3.13Å; H525-S527 VanDerWaalsContact ND1-N 3.19Å; H525-S527 PolarHBondContact O-N 3.12Å |
| 528 | F | 94.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | trans | -113.2 | 102.4 | -174.8 | -66.5 | -99.7 | 0 | 0 | 0 | 109.3 | I432 P433 L436 L445 T460 L522 H525 F533 Y534 | I432-F528 HydrophobicContact CG2-CE1 4.48Å; P433-F528 HydrophobicContact CG-CD1 3.9Å; P433-F528 HydrophobicContact CG-CD2 4.3Å; P433-F528 HydrophobicContact CG-CE1 3.69Å; P433-F528 HydrophobicContact CG-CE2 4.12Å; P433-F528 HydrophobicContact CG-CG 4.19Å; P433-F528 HydrophobicContact CG-CZ 3.81Å; L436-F528 HydrophobicContact CD1-CE1 4.47Å; L436-F528 HydrophobicContact CD1-CE2 4.44Å; L436-F528 HydrophobicContact CD1-CZ 3.66Å; L445-F528 HydrophobicContact CD2-CE1 4.15Å; L445-F528 HydrophobicContact CD2-CZ 4.07Å; T460-F528 HydrophobicContact CG2-CE2 4.43Å; T460-F528 HydrophobicContact CG2-CZ 4.18Å; L522-F528 HydrophobicContact CB-CD1 4.35Å; L522-F528 HydrophobicContact CB-CG 4.42Å; L522-F528 HydrophobicContact CD1-CD1 4.24Å; L522-F528 HydrophobicContact CD1-CE1 4.16Å; L522-F528 HydrophobicContact CD2-CD1 3.96Å; L522-F528 HydrophobicContact CD2-CD2 4.24Å; L522-F528 HydrophobicContact CD2-CE1 3.62Å; L522-F528 HydrophobicContact CD2-CE2 3.93Å; L522-F528 HydrophobicContact CD2-CG 4.27Å; L522-F528 HydrophobicContact CD2-CZ 3.6Å; L522-F528 HydrophobicContact CG-CD1 4.41Å; L522-F528 HydrophobicContact CG-CE1 4.4Å; L522-F528 WeakPolarHBondContact O-CB 3.04Å; H525-F528 HydrophobicContact CB-CD2 3.74Å; H525-F528 HydrophobicContact CB-CE2 4.22Å; H525-F528 AromaticContact CG-CD2 3.76Å; H525-F528 AromaticContact CG-CE2 3.9Å; H525-F528 AromaticContact ND1-CD2 3.44Å; H525-F528 WeakPolarHBondContact ND1-CD2 3.5Å; H525-F528 AromaticContact ND1-CE2 3.61Å; H525-F528 PolarHBondContact O-N 2.96Å; F528-F533 HydrophobicContact CB-CB 4Å; F528-F533 HydrophobicContact CD1-CB 4.16Å; F528-F533 HydrophobicContact CD1-CD1 4.07Å; F528-Y534 HydrophobicContact CB-CE1 4.08Å; F528-Y534 WeakPolarHBondContact O-CE1 3.16Å; F528-Y534 PolarHBondContact O-OH 3.09Å | ||
| 529 | H | 90.3 | Very high | 95.3 | Very high | 133 Ų | 133 | 36.4 Ų | 36.4 | 62% | 0.616 | 20% | 0.202 | S | C | * | . | trans | -115.7 | 109.9 | -169.9 | -65.3 | -57.2 | 0 | 0 | 0 | 113.2 | R526 F533 | R526-H529 PolarHBondContact O-CE1 3.11Å; R526-H529 PolarHBondContact O-NE2 2.83Å; H529-F533 WeakPolarHBondContact O-CD2 3.47Å; H529-F533 WeakPolarHBondContact O-CE2 3.44Å | ||
| 530 | G | 91.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 90.2 | 169.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S532 F533 Y534 | G530-S532 PolarHBondContact O-N 2.84Å; G530-F533 PolarHBondContact O-N 3.46Å; G530-Y534 VanDerWaalsContact C-CE2 3.45Å; G530-Y534 PolarHBondContact N-OH 2.75Å; G530-Y534 WeakPolarHBondContact O-CE2 3.28Å |
| 531 | P | 92.2 | Very high | 95.2 | Very high | 116 Ų | 116 | 39.6 Ų | 39.6 | 75% | 0.753 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -61.2 | -23.6 | -163.8 | -26.3 | 35.2 | 0 | 0 | 0 | 115.6 | F533 Y534 | P531-F533 PolarHBondContact O-N 3.39Å; P531-Y534 PolarHBondContact O-N 3.17Å |
| 532 | S | 94.5 | Very high | 95.2 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -68.5 | -23.2 | 177.1 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | K430 V431 G530 | K430-S532 PolarHBondContact N-O 2.81Å; V431-S532 PolarHBondContact N-O 2.8Å; G530-S532 PolarHBondContact O-N 2.84Å |
| 533 | F | 96.2 | Very high | 94.8 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 18% | 0.18 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -88.8 | -4.5 | 178.9 | -72.5 | -92.6 | 0 | 0 | 0 | 113.3 | V431 P433 F528 H529 G530 P531 | V431-F533 HydrophobicContact CB-CD1 4.38Å; V431-F533 HydrophobicContact CB-CE1 4.2Å; V431-F533 HydrophobicContact CB-CE2 4.43Å; V431-F533 HydrophobicContact CB-CZ 4.24Å; V431-F533 HydrophobicContact CG1-CD1 4.28Å; V431-F533 HydrophobicContact CG1-CE1 3.63Å; V431-F533 HydrophobicContact CG1-CE2 4.22Å; V431-F533 HydrophobicContact CG1-CZ 3.61Å; V431-F533 WeakPolarHBondContact O-CA 3.25Å; P433-F533 HydrophobicContact CG-CD1 4.29Å; P433-F533 HydrophobicContact CG-CE1 4.18Å; F528-F533 HydrophobicContact CB-CB 4Å; F528-F533 HydrophobicContact CD1-CB 4.16Å; F528-F533 HydrophobicContact CD1-CD1 4.07Å; H529-F533 WeakPolarHBondContact O-CD2 3.47Å; H529-F533 WeakPolarHBondContact O-CE2 3.44Å; G530-F533 PolarHBondContact O-N 3.46Å; P531-F533 PolarHBondContact O-N 3.39Å |
| 534 | Y | 96.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 19% | 0.192 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -107.5 | 142.7 | -176.4 | -49.5 | -34.7 | 0 | 0 | 0 | 110.3 | L522 Q523 F528 G530 P531 | L522-Y534 HydrophobicContact CB-CD1 4.2Å; L522-Y534 WeakPolarHBondContact O-CE1 3.37Å; Q523-Y534 HydrophobicContact CB-CE1 4.4Å; Q523-Y534 HydrophobicContact CG-CD1 3.85Å; Q523-Y534 HydrophobicContact CG-CD2 3.84Å; Q523-Y534 HydrophobicContact CG-CE1 3.99Å; Q523-Y534 HydrophobicContact CG-CE2 3.96Å; Q523-Y534 HydrophobicContact CG-CG 3.82Å; F528-Y534 HydrophobicContact CB-CE1 4.08Å; F528-Y534 WeakPolarHBondContact O-CE1 3.16Å; F528-Y534 PolarHBondContact O-OH 3.09Å; G530-Y534 VanDerWaalsContact C-CE2 3.45Å; G530-Y534 PolarHBondContact N-OH 2.75Å; G530-Y534 WeakPolarHBondContact O-CE2 3.28Å; P531-Y534 PolarHBondContact O-N 3.17Å |
| 535 | P | 97.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | trans | -66.7 | 153.6 | 171.3 | 32.8 | -36.2 | 0 | 0 | 0 | 108.5 | L427 P429 F446 Y515 N519 | L427-P535 CarbonylContact O-C 3.51Å; L427-P535 VanDerWaalsContact O-CA 3.25Å; L427-P535 WeakPolarHBondContact O-CA 3.39Å; L427-P535 VanDerWaalsContact O-CB 3.28Å; L427-P535 WeakPolarHBondContact O-CB 3.34Å; P429-P535 HydrophobicContact CG-CB 4.38Å; F446-P535 HydrophobicContact CD2-CB 4.06Å; F446-P535 HydrophobicContact CE2-CB 3.75Å; F446-P535 HydrophobicContact CE2-CG 4.49Å; Y515-P535 HydrophobicContact CD2-CB 4.45Å; Y515-P535 HydrophobicContact CE2-CB 3.75Å; Y515-P535 HydrophobicContact CE2-CG 4.11Å; Y515-P535 PolarHBondContact OH-O 2.98Å; N519-P535 HydrophobicContact CB-CG 3.83Å; N519-P535 PolarHBondContact ND2-O 3.49Å; N519-P535 VanDerWaalsContact ND2-O 3.17Å | ||
| 536 | S | 97 | Very high | 94.5 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 161.7 | 177.2 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | L427 Y515 | L427-S536 WeakPolarHBondContact CA-O 3.33Å; L427-S536 WeakPolarHBondContact CB-O 3Å; L427-S536 PolarHBondContact N-O 3.08Å; L427-S536 PolarHBondContact O-N 3.48Å; Y515-S536 WeakPolarHBondContact OH-CA 3.36Å; Y515-S536 PolarHBondContact OH-O 3.01Å |
| 537 | C | 97.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 162.2 | 179 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | C425 L426 Y499 Y515 | C425-C537 CarbonylContact O-C 3.52Å; C425-C537 WeakPolarHBondContact O-CA 3.39Å; C425-C537 WeakPolarHBondContact O-CB 3.47Å; L426-C537 HydrophobicContact CD2-CB 3.83Å; Y499-C537 WeakPolarHBondContact OH-CB 3.36Å; Y515-C537 HydrophobicContact CE1-CB 4.25Å; Y515-C537 HydrophobicContact CE2-CB 4.27Å; Y515-C537 PolarHBondContact OH-N 3.18Å; Y515-C537 PolarHBondContact OH-SG 3.25Å |
| 538 | S | 96.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 126.7 | 173.7 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | R413 V424 C425 | R413-S538 WeakPolarHBondContact O-CB 3.46Å; R413-S538 PolarHBondContact O-OG 2.93Å; V424-S538 CarbonylContact C-O 3.49Å; V424-S538 WeakPolarHBondContact CA-O 3.41Å; C425-S538 PolarHBondContact N-O 3.46Å; C425-S538 PolarHBondContact O-N 3.39Å |
| 539 | P | 96.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 21% | 0.208 | 29% | 0.286 | C | S | . | . | S | Bend | cis | -57.8 | 160.3 | -8.4 | -24 | 35.3 | 0 | 0 | 0 | 112.7 | F423 D496 Y499 L541 | F423-P539 WeakPolarHBondContact O-CD 3.36Å; D496-P539 HydrophobicContact CB-CB 3.88Å; D496-P539 HydrophobicContact CB-CG 4.12Å; Y499-P539 HydrophobicContact CE2-CB 4.27Å; Y499-P539 VanDerWaalsContact CE2-O 3.24Å; Y499-P539 WeakPolarHBondContact CE2-O 3.4Å; Y499-P539 PolarHBondContact OH-O 2.95Å; P539-L541 PolarHBondContact O-N 3.13Å |
| 540 | S | 96 | Very high | 94.3 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 53% | 0.531 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 134.5 | 177.9 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 541 | L | 96.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 160.8 | 167.1 | -76.6 | 167 | 0 | 0 | 0 | 111 | L489 L495 Y499 Y515 P539 G543 L546 | L489-L541 HydrophobicContact CD2-CD2 3.91Å; L495-L541 HydrophobicContact CD1-CD2 3.88Å; Y499-L541 HydrophobicContact CD1-CD2 3.81Å; Y499-L541 HydrophobicContact CD2-CD2 3.78Å; Y499-L541 HydrophobicContact CE1-CD1 4.36Å; Y499-L541 HydrophobicContact CE1-CD2 3.71Å; Y499-L541 HydrophobicContact CE1-CG 4.01Å; Y499-L541 HydrophobicContact CE2-CD2 3.69Å; Y499-L541 HydrophobicContact CE2-CG 3.93Å; Y499-L541 HydrophobicContact CG-CD2 3.85Å; Y515-L541 HydrophobicContact CD1-CD1 3.75Å; Y515-L541 HydrophobicContact CE1-CD1 3.67Å; P539-L541 PolarHBondContact O-N 3.13Å; L541-G543 PolarHBondContact O-N 3.4Å; L541-L546 HydrophobicContact CB-CD1 4.26Å |
| 542 | P | 96.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 5% | 0.045 | 27% | 0.268 | C | S | . | . | trans | -70.3 | 74 | 178.2 | 31.3 | -37.8 | 0 | 0 | 0 | 111.4 | L489 S492 S494 S544 E545 L546 | L489-P542 HydrophobicContact CD2-CG 3.88Å; S492-P542 WeakPolarHBondContact OG-CB 3.46Å; S494-P542 WeakPolarHBondContact OG-CB 3.2Å; P542-S544 PolarHBondContact O-N 3.13Å; P542-E545 HydrophobicContact CB-CB 4.19Å; P542-E545 HydrophobicContact CB-CG 4.26Å; P542-E545 PolarHBondContact O-N 2.88Å; P542-L546 WeakPolarHBondContact O-CG 3.43Å; P542-L546 PolarHBondContact O-N 3.21Å | ||
| 543 | G | 88.9 | Confident | 94.8 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L541 L546 I547 | L541-G543 PolarHBondContact O-N 3.4Å; G543-L546 PolarHBondContact O-N 3.02Å; G543-I547 WeakPolarHBondContact O-CB 3.48Å; G543-I547 VanDerWaalsContact O-CG2 3.32Å; G543-I547 WeakPolarHBondContact O-CG2 3.45Å; G543-I547 PolarHBondContact O-N 3.48Å |
| 544 | S | 89.8 | Confident | 94.8 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 54% | 0.538 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | P542 L546 I547 D548 | P542-S544 PolarHBondContact O-N 3.13Å; S544-L546 VanDerWaalsContact C-N 3.27Å; S544-L546 PolarHBondContact O-N 3.12Å; S544-I547 PolarHBondContact O-N 3.03Å; S544-D548 WeakPolarHBondContact O-CB 3.44Å; S544-D548 PolarHBondContact O-N 2.97Å; S544-D548 VanDerWaalsContact O-OD2 3.12Å |
| 545 | E | 94.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 51 Ų | 51 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -36 | 178.4 | -60 | -179 | -131.5 | 0 | 0 | 112 | V488 S492 S494 P542 C549 | V488-E545 HydrophobicContact CG1-CB 4.47Å; S492-E545 WeakPolarHBondContact CA-OE2 3.18Å; S492-E545 WeakPolarHBondContact CB-OE2 3.42Å; S492-E545 PolarHBondContact OG-OE1 3.06Å; S492-E545 PolarHBondContact OG-OE2 2.84Å; S492-E545 VanDerWaalsContact OG-OE2 3.08Å; S494-E545 PolarHBondContact OG-OE1 3.38Å; P542-E545 HydrophobicContact CB-CB 4.19Å; P542-E545 HydrophobicContact CB-CG 4.26Å; P542-E545 PolarHBondContact O-N 2.88Å; E545-C549 WeakPolarHBondContact O-CB 3.43Å; E545-C549 PolarHBondContact O-N 3.44Å |
| 546 | L | 94.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.3 | -49.5 | 177.9 | -71.8 | 170.1 | 0 | 0 | 0 | 112.6 | V488 L489 I520 L541 P542 G543 S544 C549 L552 | V488-L546 HydrophobicContact CB-CD2 4.37Å; V488-L546 HydrophobicContact CG1-CD2 3.89Å; L489-L546 HydrophobicContact CD2-CD1 4.09Å; L489-L546 HydrophobicContact CD2-CD2 4.04Å; L489-L546 HydrophobicContact CD2-CG 4.38Å; L489-L546 HydrophobicContact CG-CD2 4.32Å; I520-L546 HydrophobicContact CD1-CB 4.33Å; L541-L546 HydrophobicContact CB-CD1 4.26Å; P542-L546 WeakPolarHBondContact O-CG 3.43Å; P542-L546 PolarHBondContact O-N 3.21Å; G543-L546 PolarHBondContact O-N 3.02Å; S544-L546 VanDerWaalsContact C-N 3.27Å; S544-L546 PolarHBondContact O-N 3.12Å; L546-C549 WeakPolarHBondContact O-CB 3.34Å; L546-C549 PolarHBondContact O-N 3.31Å; L546-L552 HydrophobicContact CD2-CD1 4.16Å |
| 547 | I | 90.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.4 | -35.6 | -175.5 | -160.8 | 66.1 | 0 | 0 | 0 | 112 | I520 Q523 G543 S544 C549 | I520-I547 HydrophobicContact CG1-CD1 4.26Å; I520-I547 HydrophobicContact CG2-CD1 4.38Å; Q523-I547 HydrophobicContact CB-CD1 4.24Å; G543-I547 WeakPolarHBondContact O-CB 3.48Å; G543-I547 VanDerWaalsContact O-CG2 3.32Å; G543-I547 WeakPolarHBondContact O-CG2 3.45Å; G543-I547 PolarHBondContact O-N 3.48Å; S544-I547 PolarHBondContact O-N 3.03Å; I547-C549 VanDerWaalsContact C-N 3.25Å; I547-C549 PolarHBondContact O-N 3.36Å |
| 548 | D | 90.4 | Very high | 94.8 | Very high | 123 Ų | 123 | 55 Ų | 55 | 66% | 0.658 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.2 | -179.5 | -61 | -31.4 | 0 | 0 | 0 | 112.5 | S544 R550 | S544-D548 WeakPolarHBondContact O-CB 3.44Å; S544-D548 PolarHBondContact O-N 2.97Å; S544-D548 VanDerWaalsContact O-OD2 3.12Å; D548-R550 PolarHBondContact O-N 2.81Å |
| 549 | C | 94.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | trans | -68.5 | 105 | 179 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | V488 E545 L546 I547 V551 L552 H553 | V488-C549 HydrophobicContact CG2-CB 4.43Å; E545-C549 WeakPolarHBondContact O-CB 3.43Å; E545-C549 PolarHBondContact O-N 3.44Å; L546-C549 WeakPolarHBondContact O-CB 3.34Å; L546-C549 PolarHBondContact O-N 3.31Å; I547-C549 VanDerWaalsContact C-N 3.25Å; I547-C549 PolarHBondContact O-N 3.36Å; C549-V551 PolarHBondContact O-N 3.42Å; C549-V551 VanDerWaalsContact O-N 3.13Å; C549-L552 HydrophobicContact CB-CB 4.15Å; C549-L552 HydrophobicContact CB-CD1 3.94Å; C549-L552 HydrophobicContact CB-CG 3.93Å; C549-L552 PolarHBondContact O-N 3.49Å; C549-L552 VanDerWaalsContact O-N 3.12Å; C549-H553 PolarHBondContact O-N 3.35Å | ||
| 550 | R | 94.3 | Very high | 94.9 | Very high | 219 Ų | 219 | 52.3 Ų | 52.3 | 83% | 0.826 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -53.8 | -35.4 | -179.9 | -64.7 | -175.7 | -179.1 | -174.9 | -0.2 | 113.6 | D548 K554 | D548-R550 PolarHBondContact O-N 2.81Å; R550-K554 VanDerWaalsContact O-CB 3.29Å; R550-K554 WeakPolarHBondContact O-CB 3.44Å; R550-K554 PolarHBondContact O-N 3.4Å |
| 551 | V | 96.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 51.4 Ų | 51.4 | 42% | 0.418 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.7 | -47.4 | -179.7 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | E484 C549 H553 K554 L555 | E484-V551 HydrophobicContact CB-CG1 4.29Å; E484-V551 HydrophobicContact CG-CG1 3.81Å; C549-V551 PolarHBondContact O-N 3.42Å; C549-V551 VanDerWaalsContact O-N 3.13Å; V551-H553 PolarHBondContact O-N 2.98Å; V551-K554 WeakPolarHBondContact O-CB 3.45Å; V551-K554 PolarHBondContact O-N 3.31Å; V551-L555 HydrophobicContact CG1-CD1 4.21Å; V551-L555 WeakPolarHBondContact O-CG 3.43Å; V551-L555 PolarHBondContact O-N 3.46Å |
| 552 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -46 | 176.7 | -61.9 | -176.1 | 0 | 0 | 0 | 111 | F481 E484 C485 V488 I520 L546 C549 K554 L555 I556 | F481-L552 HydrophobicContact CD2-CB 4.34Å; F481-L552 HydrophobicContact CD2-CD2 3.91Å; F481-L552 HydrophobicContact CE2-CB 3.86Å; F481-L552 HydrophobicContact CE2-CD2 3.9Å; F481-L552 HydrophobicContact CE2-CG 4.32Å; F481-L552 HydrophobicContact CG-CD2 4.3Å; F481-L552 HydrophobicContact CZ-CD2 4.26Å; E484-L552 HydrophobicContact CB-CD2 3.78Å; C485-L552 HydrophobicContact CB-CD1 4.41Å; C485-L552 HydrophobicContact CB-CD2 4.07Å; V488-L552 HydrophobicContact CG2-CD1 4.44Å; I520-L552 HydrophobicContact CD1-CD1 4.08Å; L546-L552 HydrophobicContact CD2-CD1 4.16Å; C549-L552 HydrophobicContact CB-CB 4.15Å; C549-L552 HydrophobicContact CB-CD1 3.94Å; C549-L552 HydrophobicContact CB-CG 3.93Å; C549-L552 PolarHBondContact O-N 3.49Å; C549-L552 VanDerWaalsContact O-N 3.12Å; L552-K554 VanDerWaalsContact C-N 3.32Å; L552-K554 PolarHBondContact O-N 3.09Å; L552-L555 PolarHBondContact O-N 3.45Å; L552-I556 WeakPolarHBondContact O-CG1 3.38Å; L552-I556 PolarHBondContact O-N 2.9Å; L552-I556 VanDerWaalsContact O-N 3.08Å |
| 553 | H | 94.7 | Very high | 95 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 177.3 | -171.6 | -108.5 | 0 | 0 | 0 | 112.7 | C549 V551 I556 T557 | C549-H553 PolarHBondContact O-N 3.35Å; V551-H553 PolarHBondContact O-N 2.98Å; H553-I556 PolarHBondContact O-N 3.23Å; H553-T557 WeakPolarHBondContact O-CB 3.39Å; H553-T557 PolarHBondContact O-N 3.06Å; H553-T557 PolarHBondContact O-OG1 3.38Å |
| 554 | K | 95.6 | Very high | 95.3 | Very high | 141 Ų | 141 | 59.1 Ų | 59.1 | 61% | 0.613 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 174.3 | -178.3 | -173.6 | 172.4 | -169.8 | 0 | 111.3 | R550 V551 L552 T557 E558 | R550-K554 VanDerWaalsContact O-CB 3.29Å; R550-K554 WeakPolarHBondContact O-CB 3.44Å; R550-K554 PolarHBondContact O-N 3.4Å; V551-K554 WeakPolarHBondContact O-CB 3.45Å; V551-K554 PolarHBondContact O-N 3.31Å; L552-K554 VanDerWaalsContact C-N 3.32Å; L552-K554 PolarHBondContact O-N 3.09Å; K554-T557 CarbonylContact O-C 3.25Å; K554-T557 WeakPolarHBondContact O-CB 3.25Å; K554-T557 PolarHBondContact O-N 3.04Å; K554-T557 VanDerWaalsContact O-N 3.17Å; K554-E558 WeakPolarHBondContact O-CB 3.43Å; K554-E558 PolarHBondContact O-N 2.96Å |
| 555 | L | 97.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | -179.8 | -69.6 | 167 | 0 | 0 | 0 | 112 | I477 F481 E484 V551 L552 T557 E558 L559 | I477-L555 HydrophobicContact CG2-CB 4.22Å; I477-L555 HydrophobicContact CG2-CD2 4.14Å; I477-L555 WeakPolarHBondContact CG2-O 3.42Å; F481-L555 HydrophobicContact CB-CB 4.39Å; F481-L555 HydrophobicContact CB-CD1 4.08Å; F481-L555 HydrophobicContact CD2-CB 4.29Å; E484-L555 HydrophobicContact CG-CD1 4.28Å; V551-L555 HydrophobicContact CG1-CD1 4.21Å; V551-L555 WeakPolarHBondContact O-CG 3.43Å; V551-L555 PolarHBondContact O-N 3.46Å; L552-L555 PolarHBondContact O-N 3.45Å; L555-T557 VanDerWaalsContact C-N 3.33Å; L555-T557 PolarHBondContact O-N 3.32Å; L555-E558 PolarHBondContact O-N 3.12Å; L555-L559 WeakPolarHBondContact O-CB 3.33Å; L555-L559 PolarHBondContact O-N 3.38Å |
| 556 | I | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 172 | -60 | -55.1 | 0 | 0 | 0 | 111.3 | F481 F517 I520 V521 L524 L552 H553 L559 A560 F569 | F481-I556 HydrophobicContact CD2-CD1 3.85Å; F481-I556 HydrophobicContact CD2-CG1 4.25Å; F481-I556 HydrophobicContact CE2-CD1 3.73Å; F481-I556 HydrophobicContact CE2-CG1 3.95Å; F517-I556 HydrophobicContact CD2-CD1 3.77Å; F517-I556 HydrophobicContact CE2-CD1 3.3Å; F517-I556 HydrophobicContact CZ-CD1 4.13Å; I520-I556 HydrophobicContact CG2-CG1 4.03Å; V521-I556 HydrophobicContact CG2-CD1 3.76Å; L524-I556 HydrophobicContact CD1-CB 4.24Å; L524-I556 HydrophobicContact CD1-CG1 4.37Å; L524-I556 HydrophobicContact CD1-CG2 3.94Å; L552-I556 WeakPolarHBondContact O-CG1 3.38Å; L552-I556 PolarHBondContact O-N 2.9Å; L552-I556 VanDerWaalsContact O-N 3.08Å; H553-I556 PolarHBondContact O-N 3.23Å; I556-L559 PolarHBondContact O-N 3.38Å; I556-A560 WeakPolarHBondContact O-CB 3.24Å; I556-A560 PolarHBondContact O-N 3.32Å; I556-F569 HydrophobicContact CG2-CD1 4.16Å; I556-F569 HydrophobicContact CG2-CE1 4.22Å |
| 557 | T | 95.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.172 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.4 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | H553 K554 L555 A560 S561 R566 | H553-T557 WeakPolarHBondContact O-CB 3.39Å; H553-T557 PolarHBondContact O-N 3.06Å; H553-T557 PolarHBondContact O-OG1 3.38Å; K554-T557 CarbonylContact O-C 3.25Å; K554-T557 WeakPolarHBondContact O-CB 3.25Å; K554-T557 PolarHBondContact O-N 3.04Å; K554-T557 VanDerWaalsContact O-N 3.17Å; L555-T557 VanDerWaalsContact C-N 3.33Å; L555-T557 PolarHBondContact O-N 3.32Å; T557-A560 PolarHBondContact O-N 3.02Å; T557-S561 WeakPolarHBondContact O-CB 3.49Å; T557-S561 PolarHBondContact O-N 3.22Å; T557-S561 PolarHBondContact O-OG 3.34Å; T557-R566 VanDerWaalsContact CG2-NH2 3.26Å; T557-R566 VanDerWaalsContact OG1-CZ 3.27Å; T557-R566 PolarHBondContact OG1-NH1 3.27Å; T557-R566 PolarHBondContact OG1-NH2 3.14Å; T557-R566 VanDerWaalsContact OG1-NH2 3.11Å |
| 558 | E | 97.2 | Very high | 95.8 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.4 | -171.9 | 177.1 | 162.4 | 0 | 0 | 110.6 | I477 K554 L555 S561 L562 | I477-E558 HydrophobicContact CD1-CG 3.92Å; K554-E558 WeakPolarHBondContact O-CB 3.43Å; K554-E558 PolarHBondContact O-N 2.96Å; L555-E558 PolarHBondContact O-N 3.12Å; E558-S561 PolarHBondContact O-N 3.12Å; E558-L562 WeakPolarHBondContact O-CB 3.4Å; E558-L562 PolarHBondContact O-N 2.99Å |
| 559 | L | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -47 | 174.4 | -173.3 | 64.4 | 0 | 0 | 0 | 111.7 | L454 F457 A474 I477 I478 F517 L555 I556 S561 L562 F563 | L454-L559 HydrophobicContact CD1-CD1 4.31Å; F457-L559 HydrophobicContact CD1-CD2 3.99Å; F457-L559 HydrophobicContact CD1-CG 4.17Å; F457-L559 HydrophobicContact CD2-CD2 3.7Å; F457-L559 HydrophobicContact CE1-CD2 4.08Å; F457-L559 HydrophobicContact CE1-CG 3.9Å; F457-L559 HydrophobicContact CE2-CD2 3.76Å; F457-L559 HydrophobicContact CE2-CG 4.24Å; F457-L559 HydrophobicContact CG-CD2 3.81Å; F457-L559 HydrophobicContact CG-CG 4.49Å; F457-L559 HydrophobicContact CZ-CB 4.46Å; F457-L559 HydrophobicContact CZ-CD2 3.96Å; F457-L559 HydrophobicContact CZ-CG 3.93Å; A474-L559 HydrophobicContact CB-CD1 3.67Å; I477-L559 HydrophobicContact CB-CD1 4.45Å; I477-L559 HydrophobicContact CD1-CD1 4.39Å; I477-L559 HydrophobicContact CG2-CB 4.03Å; I478-L559 HydrophobicContact CD1-CD2 3.65Å; I478-L559 HydrophobicContact CG1-CD2 4.5Å; F517-L559 HydrophobicContact CE2-CD2 4.28Å; F517-L559 HydrophobicContact CZ-CD2 3.89Å; L555-L559 WeakPolarHBondContact O-CB 3.33Å; L555-L559 PolarHBondContact O-N 3.38Å; I556-L559 PolarHBondContact O-N 3.38Å; L559-S561 VanDerWaalsContact C-N 3.32Å; L559-S561 PolarHBondContact O-N 3.48Å; L559-L562 PolarHBondContact O-N 3.17Å; L559-F563 HydrophobicContact CD1-CD2 4.17Å; L559-F563 HydrophobicContact CD1-CE2 3.69Å; L559-F563 HydrophobicContact CG-CD2 4.37Å; L559-F563 HydrophobicContact CG-CE2 4.27Å; L559-F563 WeakPolarHBondContact O-CD2 3.45Å; L559-F563 PolarHBondContact O-N 2.71Å |
| 560 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F457 I556 T557 F563 D564 C565 R566 F569 | F457-A560 HydrophobicContact CZ-CB 4.22Å; I556-A560 WeakPolarHBondContact O-CB 3.24Å; I556-A560 PolarHBondContact O-N 3.32Å; T557-A560 PolarHBondContact O-N 3.02Å; A560-F563 PolarHBondContact O-N 3.26Å; A560-D564 PolarHBondContact O-N 3.14Å; A560-C565 WeakPolarHBondContact O-CA 3.49Å; A560-C565 PolarHBondContact O-N 3.47Å; A560-R566 PolarHBondContact O-N 2.98Å; A560-F569 HydrophobicContact CB-CD2 3.59Å; A560-F569 HydrophobicContact CB-CE2 3.9Å; A560-F569 HydrophobicContact CB-CG 4.26Å |
| 561 | S | 97 | Very high | 94.9 | Very high | 56 Ų | 56 | 44.8 Ų | 44.8 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.7 | -38.4 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | T557 E558 L559 F563 D564 | T557-S561 WeakPolarHBondContact O-CB 3.49Å; T557-S561 PolarHBondContact O-N 3.22Å; T557-S561 PolarHBondContact O-OG 3.34Å; E558-S561 PolarHBondContact O-N 3.12Å; L559-S561 VanDerWaalsContact C-N 3.32Å; L559-S561 PolarHBondContact O-N 3.48Å; S561-F563 PolarHBondContact O-N 3.04Å; S561-D564 PolarHBondContact O-N 3.31Å |
| 562 | L | 97.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -29.5 | 177.6 | 178.1 | 63.5 | 0 | 0 | 0 | 112.5 | T470 R473 A474 I477 E558 L559 | T470-L562 HydrophobicContact CG2-CD1 4.19Å; T470-L562 HydrophobicContact CG2-CD2 4.35Å; T470-L562 HydrophobicContact CG2-CG 3.97Å; R473-L562 HydrophobicContact CB-CD2 3.85Å; A474-L562 HydrophobicContact CB-CD2 3.76Å; I477-L562 HydrophobicContact CD1-CD2 3.85Å; E558-L562 WeakPolarHBondContact O-CB 3.4Å; E558-L562 PolarHBondContact O-N 2.99Å; L559-L562 PolarHBondContact O-N 3.17Å |
| 563 | F | 96.7 | Very high | 91.6 | Very high | 22 Ų | 22 | 50 Ų | 50 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 8.9 | 176.9 | -69.4 | -61 | 0 | 0 | 0 | 114.1 | L454 F457 L463 I466 T470 A474 L559 A560 S561 C565 | L454-F563 HydrophobicContact CD1-CE2 3.86Å; L454-F563 HydrophobicContact CD1-CZ 3.97Å; F457-F563 HydrophobicContact CD1-CD2 4.14Å; F457-F563 HydrophobicContact CD1-CE2 4.28Å; F457-F563 AromaticContact CE1-CD2 3.82Å; F457-F563 HydrophobicContact CE1-CD2 3.82Å; F457-F563 HydrophobicContact CE1-CE2 4.37Å; L463-F563 HydrophobicContact CD1-CB 3.68Å; L463-F563 HydrophobicContact CD1-CD1 3.69Å; L463-F563 HydrophobicContact CD1-CD2 4.2Å; L463-F563 HydrophobicContact CD1-CE1 4.36Å; L463-F563 HydrophobicContact CD1-CG 3.61Å; I466-F563 HydrophobicContact CD1-CD1 4.38Å; I466-F563 HydrophobicContact CD1-CE1 3.61Å; I466-F563 HydrophobicContact CD1-CZ 4Å; I466-F563 HydrophobicContact CG1-CE1 4.1Å; I466-F563 HydrophobicContact CG2-CE1 3.86Å; T470-F563 HydrophobicContact CG2-CD1 3.99Å; T470-F563 HydrophobicContact CG2-CE1 3.59Å; T470-F563 HydrophobicContact CG2-CZ 4.36Å; A474-F563 HydrophobicContact CB-CE2 3.69Å; A474-F563 HydrophobicContact CB-CZ 3.5Å; L559-F563 HydrophobicContact CD1-CD2 4.17Å; L559-F563 HydrophobicContact CD1-CE2 3.69Å; L559-F563 HydrophobicContact CG-CD2 4.37Å; L559-F563 HydrophobicContact CG-CE2 4.27Å; L559-F563 WeakPolarHBondContact O-CD2 3.45Å; L559-F563 PolarHBondContact O-N 2.71Å; A560-F563 PolarHBondContact O-N 3.26Å; S561-F563 PolarHBondContact O-N 3.04Å; F563-C565 HydrophobicContact CB-CB 4.35Å; F563-C565 WeakPolarHBondContact CB-SG 3.29Å; F563-C565 PolarHBondContact O-N 3.02Å; F563-C565 VanDerWaalsContact O-N 3.12Å; F563-C565 PolarHBondContact O-SG 3.27Å |
| 564 | D | 95.7 | Very high | 90.2 | Very high | 158 Ų | 158 | 51 Ų | 51 | 85% | 0.845 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 27.9 | -174.6 | -59.5 | -49.9 | 0 | 0 | 0 | 113.8 | A560 S561 | A560-D564 PolarHBondContact O-N 3.14Å; S561-D564 PolarHBondContact O-N 3.31Å |
| 565 | C | 95.6 | Very high | 88.2 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | trans | -100 | 7.3 | -176.4 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | C461 A560 F563 A567 L568 F569 | C461-C565 HydrophobicContact CB-CB 4.36Å; A560-C565 WeakPolarHBondContact O-CA 3.49Å; A560-C565 PolarHBondContact O-N 3.47Å; F563-C565 HydrophobicContact CB-CB 4.35Å; F563-C565 WeakPolarHBondContact CB-SG 3.29Å; F563-C565 PolarHBondContact O-N 3.02Å; F563-C565 VanDerWaalsContact O-N 3.12Å; F563-C565 PolarHBondContact O-SG 3.27Å; C565-A567 PolarHBondContact O-N 3.36Å; C565-L568 HydrophobicContact CB-CD1 4.33Å; C565-L568 WeakPolarHBondContact O-CB 3.14Å; C565-L568 PolarHBondContact O-N 2.92Å; C565-F569 HydrophobicContact CB-CE2 4.49Å | ||
| 566 | R | 94.2 | Very high | 85.5 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -55.1 | -33.7 | -170.3 | -177.1 | 56.7 | 177.1 | 170.1 | -8.5 | 113.5 | T557 A560 L568 F569 | T557-R566 VanDerWaalsContact CG2-NH2 3.26Å; T557-R566 VanDerWaalsContact OG1-CZ 3.27Å; T557-R566 PolarHBondContact OG1-NH1 3.27Å; T557-R566 PolarHBondContact OG1-NH2 3.14Å; T557-R566 VanDerWaalsContact OG1-NH2 3.11Å; A560-R566 PolarHBondContact O-N 2.98Å; R566-L568 PolarHBondContact O-N 3.3Å; R566-F569 PolarHBondContact O-N 2.94Å; R566-F569 VanDerWaalsContact O-N 3.11Å |
| 567 | A | 94.7 | Very high | 82.5 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 69% | 0.694 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -61.5 | -25.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R526 C565 F569 | R526-A567 WeakPolarHBondContact CD-O 3.42Å; R526-A567 PolarHBondContact NE-O 3.42Å; R526-A567 VanDerWaalsContact NE-O 3.12Å; C565-A567 PolarHBondContact O-N 3.36Å; A567-F569 VanDerWaalsContact C-N 3.26Å; A567-F569 PolarHBondContact O-N 2.85Å |
| 568 | L | 95.4 | Very high | 79.4 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -77.3 | -11.9 | 178.4 | -59.6 | 179.5 | 0 | 0 | 0 | 113.2 | C461 R526 C565 R566 | C461-L568 HydrophobicContact CB-CD1 4.1Å; R526-L568 WeakPolarHBondContact CB-O 3.47Å; R526-L568 WeakPolarHBondContact CG-O 3.44Å; R526-L568 PolarHBondContact N-O 3.09Å; C565-L568 HydrophobicContact CB-CD1 4.33Å; C565-L568 WeakPolarHBondContact O-CB 3.14Å; C565-L568 PolarHBondContact O-N 2.92Å; R566-L568 PolarHBondContact O-N 3.3Å |
| 569 | F | 94.9 | Very high | 78.5 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 0% | 0.004 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -111.8 | 143.3 | -176.2 | -68.5 | -91.9 | 0 | 0 | 0 | 111.3 | F457 V521 L524 H525 R526 I556 A560 C565 R566 A567 | F457-F569 HydrophobicContact CD2-CZ 4.19Å; F457-F569 AromaticContact CE2-CE1 3.91Å; F457-F569 HydrophobicContact CE2-CE1 3.91Å; F457-F569 AromaticContact CE2-CE2 3.94Å; F457-F569 HydrophobicContact CE2-CE2 3.94Å; F457-F569 AromaticContact CE2-CZ 3.25Å; F457-F569 HydrophobicContact CE2-CZ 3.25Å; F457-F569 HydrophobicContact CZ-CE1 4.42Å; F457-F569 AromaticContact CZ-CE2 3.62Å; F457-F569 HydrophobicContact CZ-CE2 3.62Å; F457-F569 AromaticContact CZ-CZ 3.45Å; F457-F569 HydrophobicContact CZ-CZ 3.45Å; F457-F569 VanDerWaalsContact CZ-CZ 3.45Å; V521-F569 HydrophobicContact CG1-CE1 4.14Å; V521-F569 HydrophobicContact CG1-CZ 4.47Å; L524-F569 HydrophobicContact CB-CD1 4.02Å; L524-F569 CarbonylContact O-C 3.59Å; L524-F569 WeakPolarHBondContact O-CA 3.5Å; H525-F569 HydrophobicContact CB-CD1 4.28Å; H525-F569 HydrophobicContact CB-CE1 3.97Å; H525-F569 AromaticContact CD2-CE1 3.96Å; H525-F569 AromaticContact CD2-CZ 3.64Å; R526-F569 PolarHBondContact NE-O 3.36Å; R526-F569 PolarHBondContact NH2-O 3.21Å; I556-F569 HydrophobicContact CG2-CD1 4.16Å; I556-F569 HydrophobicContact CG2-CE1 4.22Å; A560-F569 HydrophobicContact CB-CD2 3.59Å; A560-F569 HydrophobicContact CB-CE2 3.9Å; A560-F569 HydrophobicContact CB-CG 4.26Å; C565-F569 HydrophobicContact CB-CE2 4.49Å; R566-F569 PolarHBondContact O-N 2.94Å; R566-F569 VanDerWaalsContact O-N 3.11Å; A567-F569 VanDerWaalsContact C-N 3.26Å; A567-F569 PolarHBondContact O-N 2.85Å |
| 570 | A | 88.4 | Confident | 77.5 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | trans | -62.6 | 147.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L524 D574 Y575 | L524-A570 WeakPolarHBondContact O-CB 3.43Å; L524-A570 PolarHBondContact O-N 3.43Å; A570-D574 WeakPolarHBondContact CA-OD2 3.45Å; A570-D574 HydrophobicContact CB-CB 4.23Å; A570-Y575 HydrophobicContact CB-CE2 3.85Å | ||
| 571 | T | 75.1 | Confident | 76.4 | Confident | 35 Ų | 35 | 77.9 Ų | 77.9 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | trans | -105.9 | 164.6 | 173.5 | 63.6 | 0 | 0 | 0 | 0 | 108.7 | D573 D574 | T571-D573 PolarHBondContact O-N 3.27Å; T571-D573 VanDerWaalsContact O-N 3.09Å; T571-D574 PolarHBondContact N-OD2 3.16Å; T571-D574 WeakPolarHBondContact O-CB 3.24Å; T571-D574 PolarHBondContact O-N 3.34Å; T571-D574 PolarHBondContact OG1-OD2 3.36Å | ||
| 572 | A | 66.7 | Low | 75.2 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 51% | 0.512 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -57.5 | -26.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D574 | A572-D574 VanDerWaalsContact C-N 3.31Å; A572-D574 PolarHBondContact O-N 3.14Å |
| 573 | D | 58 | Low | 73.8 | Confident | 118 Ų | 118 | 81.1 Ų | 81.1 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -76.8 | -14.1 | 178.1 | -55.2 | -35.7 | 0 | 0 | 0 | 113.6 | T571 T576 | T571-D573 PolarHBondContact O-N 3.27Å; T571-D573 VanDerWaalsContact O-N 3.09Å; D573-T576 PolarHBondContact O-OG1 3.08Å; D573-T576 VanDerWaalsContact O-OG1 3.13Å |
| 574 | D | 64.8 | Low | 72.2 | Confident | 55 Ų | 55 | 85.1 Ų | 85.1 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -78.1 | -26.6 | 177 | -69.3 | -74.3 | 0 | 0 | 0 | 111.7 | R526 A570 T571 A572 | R526-D574 IonicContact CZ-OD1 3.5Å; R526-D574 IonicContact CZ-OD2 3.35Å; R526-D574 IonicContact NH1-OD1 3.49Å; R526-D574 PolarHBondContact NH1-OD1 3.39Å; R526-D574 IonicContact NH1-OD2 3.22Å; R526-D574 PolarHBondContact NH1-OD2 3.08Å; R526-D574 IonicContact NH2-OD1 2.74Å; R526-D574 PolarHBondContact NH2-OD1 3Å; R526-D574 IonicContact NH2-OD2 2.71Å; R526-D574 PolarHBondContact NH2-OD2 3.47Å; A570-D574 WeakPolarHBondContact CA-OD2 3.45Å; A570-D574 HydrophobicContact CB-CB 4.23Å; T571-D574 PolarHBondContact N-OD2 3.16Å; T571-D574 WeakPolarHBondContact O-CB 3.24Å; T571-D574 PolarHBondContact O-N 3.34Å; T571-D574 PolarHBondContact OG1-OD2 3.36Å; A572-D574 VanDerWaalsContact C-N 3.31Å; A572-D574 PolarHBondContact O-N 3.14Å |
| 575 | Y | 54.2 | Low | 70.6 | Confident | 118 Ų | 118 | 79.9 Ų | 79.9 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -89.7 | -10.9 | -179.9 | -67.9 | -80.5 | 0 | 0 | 0 | 114.1 | Q523 L524 A570 K577 | Q523-Y575 PolarHBondContact O-OH 3.28Å; L524-Y575 HydrophobicContact CD2-CE2 4.02Å; A570-Y575 HydrophobicContact CB-CE2 3.85Å; Y575-K577 PolarHBondContact O-N 2.8Å |
| 576 | T | 41.4 | Very low | 68.6 | Low | 108 Ų | 108 | 85.3 Ų | 85.3 | 66% | 0.663 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -84.5 | 4.8 | 175.8 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | D573 | D573-T576 PolarHBondContact O-OG1 3.08Å; D573-T576 VanDerWaalsContact O-OG1 3.13Å |
| 577 | K | 33.9 | Very low | 66.5 | Low | 178 Ų | 178 | 86.6 Ų | 86.6 | 77% | 0.774 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -104.1 | -3.4 | -178.7 | -74.2 | -173.3 | 179.4 | 175.7 | 0 | 115.1 | Y575 | Y575-K577 PolarHBondContact O-N 2.8Š|
| 578 | D | 30.8 | Very low | 64 | Low | 208 Ų | 208 | 86.8 Ų | 86.8 | 100% | 1.112 | 46% | 0.461 | S | S | * | . | trans | -105.7 | 0 | 166.3 | -67.4 | -27.9 | 0 | 0 | 0 | 109.2 |
Retrieved 578 of 578 residues in 924 ms
(Link to these results)