| 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 | 58 | Low | 79.8 | Confident | 229 Ų | 229 | 91.8 Ų | 91.8 | 100% | 1.128 | 59% | 0.586 | S | S | * | * | 0 | 60.6 | 0 | -65.6 | 168.5 | 72.3 | 0 | 0 | 110.6 | |||||
| 2 | T | 71.3 | Confident | 81.1 | Confident | 111 Ų | 111 | 92.3 Ų | 92.3 | 68% | 0.681 | 58% | 0.578 | S | S | * | * | trans | -133.6 | -14.4 | -169.8 | 44.9 | 0 | 0 | 0 | 0 | 114.3 | T5 | T2-T5 PolarHBondContact O-OG1 2.93Š| ||
| 3 | A | 70.1 | Confident | 82.1 | Confident | 79 Ų | 79 | 93.6 Ų | 93.6 | 65% | 0.653 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.6 | -34.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V7 | A3-V7 WeakPolarHBondContact O-CG2 3.29Å |
| 4 | G | 75.9 | Confident | 83 | Confident | 44 Ų | 44 | 91.1 Ų | 91.1 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.7 | -35.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V7 I8 | G4-V7 PolarHBondContact O-N 3.36Å; G4-I8 VanDerWaalsContact O-CD1 3.31Å; G4-I8 WeakPolarHBondContact O-CD1 3.22Å; G4-I8 WeakPolarHBondContact O-CG1 3.46Å; G4-I8 PolarHBondContact O-N 2.95Å; G4-I8 VanDerWaalsContact O-N 3.09Å |
| 5 | T | 78.4 | Confident | 83.8 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.1 | -36.7 | -176.3 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | T2 I8 T9 | T2-T5 PolarHBondContact O-OG1 2.93Å; T5-I8 PolarHBondContact O-N 2.98Å; T5-T9 WeakPolarHBondContact O-CB 3.45Å; T5-T9 WeakPolarHBondContact O-CG2 3.31Å; T5-T9 PolarHBondContact O-N 2.74Å; T5-T9 PolarHBondContact O-OG1 3.29Å |
| 6 | V | 83.3 | Confident | 84.6 | Confident | 99 Ų | 99 | 89.9 Ų | 89.9 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.9 | -36.7 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | T9 G10 | V6-T9 PolarHBondContact O-OG1 3.12Å; V6-G10 WeakPolarHBondContact O-CA 3.25Å; V6-G10 PolarHBondContact O-N 3.37Å |
| 7 | V | 85.4 | Confident | 85.2 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 66% | 0.655 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.5 | -41.3 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | A3 G4 G11 | A3-V7 WeakPolarHBondContact O-CG2 3.29Å; G4-V7 PolarHBondContact O-N 3.36Å; V7-G11 PolarHBondContact O-N 2.1Å |
| 8 | I | 87.2 | Confident | 85.7 | Confident | 108 Ų | 108 | 91.2 Ų | 91.2 | 55% | 0.554 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.8 | -48.8 | 178.6 | -65.8 | 162.8 | 0 | 0 | 0 | 110.6 | G4 T5 G11 I12 | G4-I8 VanDerWaalsContact O-CD1 3.31Å; G4-I8 WeakPolarHBondContact O-CD1 3.22Å; G4-I8 WeakPolarHBondContact O-CG1 3.46Å; G4-I8 PolarHBondContact O-N 2.95Å; G4-I8 VanDerWaalsContact O-N 3.09Å; T5-I8 PolarHBondContact O-N 2.98Å; I8-G11 PolarHBondContact O-N 2.78Å; I8-I12 HydrophobicContact CG2-CD1 3.95Å; I8-I12 WeakPolarHBondContact O-CD1 3.36Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.5Å; I8-I12 PolarHBondContact O-N 3.15Å |
| 9 | T | 87.4 | Confident | 86.2 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 49% | 0.485 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.8 | -40.9 | 179 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | T5 V6 G11 I12 L13 | T5-T9 WeakPolarHBondContact O-CB 3.45Å; T5-T9 WeakPolarHBondContact O-CG2 3.31Å; T5-T9 PolarHBondContact O-N 2.74Å; T5-T9 PolarHBondContact O-OG1 3.29Å; V6-T9 PolarHBondContact O-OG1 3.12Å; T9-G11 VanDerWaalsContact C-N 3.35Å; T9-G11 PolarHBondContact O-N 2.83Å; T9-I12 PolarHBondContact O-N 3.45Å; T9-L13 VanDerWaalsContact O-CG 3.3Å; T9-L13 WeakPolarHBondContact O-CG 3.27Å; T9-L13 PolarHBondContact O-N 3.01Å |
| 10 | G | 89.5 | Confident | 86.6 | Confident | 35 Ų | 35 | 91.5 Ų | 91.5 | 36% | 0.361 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.7 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V6 L13 A14 | V6-G10 WeakPolarHBondContact O-CA 3.25Å; V6-G10 PolarHBondContact O-N 3.37Å; G10-L13 PolarHBondContact O-N 2.82Å; G10-A14 WeakPolarHBondContact O-CB 3.21Å; G10-A14 PolarHBondContact O-N 3.36Å |
| 11 | G | 91.4 | Very high | 87 | Confident | 36 Ų | 36 | 91.4 Ų | 91.4 | 37% | 0.371 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V7 I8 T9 A14 T15 | V7-G11 PolarHBondContact O-N 2.1Å; I8-G11 PolarHBondContact O-N 2.78Å; T9-G11 VanDerWaalsContact C-N 3.35Å; T9-G11 PolarHBondContact O-N 2.83Å; G11-A14 PolarHBondContact O-N 3.5Å; G11-T15 WeakPolarHBondContact O-CG2 3.47Å; G11-T15 PolarHBondContact O-N 3Å; G11-T15 PolarHBondContact O-OG1 3.02Å |
| 12 | I | 94.7 | Very high | 88.7 | Confident | 97 Ų | 97 | 84.8 Ų | 84.8 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.4 | -64.8 | 161.8 | 0 | 0 | 0 | 110.8 | I8 T9 A14 T15 V16 | I8-I12 HydrophobicContact CG2-CD1 3.95Å; I8-I12 WeakPolarHBondContact O-CD1 3.36Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.5Å; I8-I12 PolarHBondContact O-N 3.15Å; T9-I12 PolarHBondContact O-N 3.45Å; I12-A14 VanDerWaalsContact C-N 3.34Å; I12-A14 PolarHBondContact O-N 3.47Å; I12-T15 PolarHBondContact O-N 2.9Å; I12-T15 PolarHBondContact O-OG1 3.06Å; I12-V16 HydrophobicContact CG2-CG2 4.37Å; I12-V16 WeakPolarHBondContact O-CB 3.09Å; I12-V16 VanDerWaalsContact O-CG2 3.22Å; I12-V16 WeakPolarHBondContact O-CG2 3.44Å; I12-V16 PolarHBondContact O-N 2.91Å |
| 13 | L | 94.1 | Very high | 89.5 | Confident | 110 Ų | 110 | 82.3 Ų | 82.3 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 176.2 | -70.6 | 169.7 | 0 | 0 | 0 | 111.2 | T9 G10 T15 V16 I17 | T9-L13 VanDerWaalsContact O-CG 3.3Å; T9-L13 WeakPolarHBondContact O-CG 3.27Å; T9-L13 PolarHBondContact O-N 3.01Å; G10-L13 PolarHBondContact O-N 2.82Å; L13-T15 PolarHBondContact O-N 2.85Å; L13-V16 PolarHBondContact O-N 3.45Å; L13-I17 WeakPolarHBondContact O-CB 2.95Å; L13-I17 WeakPolarHBondContact O-CD1 3.14Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 2.72Å |
| 14 | A | 94.8 | Very high | 90.4 | Very high | 59 Ų | 59 | 82.2 Ų | 82.2 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 G11 I12 I17 L18 | G10-A14 WeakPolarHBondContact O-CB 3.21Å; G10-A14 PolarHBondContact O-N 3.36Å; G11-A14 PolarHBondContact O-N 3.5Å; I12-A14 VanDerWaalsContact C-N 3.34Å; I12-A14 PolarHBondContact O-N 3.47Å; A14-I17 PolarHBondContact O-N 3.24Å; A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3.22Å |
| 15 | T | 94.9 | Very high | 90.9 | Very high | 76 Ų | 76 | 85.1 Ų | 85.1 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 177.7 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | G11 I12 L13 L18 L19 | G11-T15 WeakPolarHBondContact O-CG2 3.47Å; G11-T15 PolarHBondContact O-N 3Å; G11-T15 PolarHBondContact O-OG1 3.02Å; I12-T15 PolarHBondContact O-N 2.9Å; I12-T15 PolarHBondContact O-OG1 3.06Å; L13-T15 PolarHBondContact O-N 2.85Å; T15-L18 PolarHBondContact O-N 3.23Å; T15-L19 WeakPolarHBondContact O-CB 3.29Å; T15-L19 VanDerWaalsContact O-CG 3.27Å; T15-L19 WeakPolarHBondContact O-CG 3.36Å; T15-L19 PolarHBondContact O-N 2.87Å |
| 16 | V | 96.6 | Very high | 91.3 | Very high | 86 Ų | 86 | 85.1 Ų | 85.1 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | I12 L13 L19 C20 | I12-V16 HydrophobicContact CG2-CG2 4.37Å; I12-V16 WeakPolarHBondContact O-CB 3.09Å; I12-V16 VanDerWaalsContact O-CG2 3.22Å; I12-V16 WeakPolarHBondContact O-CG2 3.44Å; I12-V16 PolarHBondContact O-N 2.91Å; L13-V16 PolarHBondContact O-N 3.45Å; V16-L19 PolarHBondContact O-N 3.2Å; V16-C20 VanDerWaalsContact O-CB 3.27Å; V16-C20 WeakPolarHBondContact O-CB 3.32Å; V16-C20 PolarHBondContact O-N 3.31Å |
| 17 | I | 95.6 | Very high | 91.2 | Very high | 102 Ų | 102 | 86.6 Ų | 86.6 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 176.9 | -67.6 | 163.1 | 0 | 0 | 0 | 110.4 | L13 A14 C20 I21 | L13-I17 WeakPolarHBondContact O-CB 2.95Å; L13-I17 WeakPolarHBondContact O-CD1 3.14Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 2.72Å; A14-I17 PolarHBondContact O-N 3.24Å; I17-C20 WeakPolarHBondContact O-CB 3.29Å; I17-C20 PolarHBondContact O-N 3.3Å; I17-I21 HydrophobicContact CG2-CD1 3.91Å; I17-I21 WeakPolarHBondContact O-CG1 2.83Å; I17-I21 PolarHBondContact O-N 2.79Å |
| 18 | L | 94.7 | Very high | 90.9 | Very high | 102 Ų | 102 | 84.6 Ų | 84.6 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 178.1 | -178.1 | 66.8 | 0 | 0 | 0 | 111.7 | A14 T15 C20 I21 I22 | A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3.22Å; T15-L18 PolarHBondContact O-N 3.23Å; L18-C20 VanDerWaalsContact C-N 3.3Å; L18-C20 PolarHBondContact O-N 2.95Å; L18-I21 PolarHBondContact O-N 3.32Å; L18-I22 HydrophobicContact CD1-CD1 4.22Å; L18-I22 HydrophobicContact CG-CD1 3.92Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.19Å; L18-I22 PolarHBondContact O-N 3.3Å |
| 19 | L | 94.6 | Very high | 90.5 | Very high | 113 Ų | 113 | 86.5 Ų | 86.5 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -38.5 | 176.5 | -73.4 | 174.4 | 0 | 0 | 0 | 111.7 | T15 V16 I22 A23 | T15-L19 WeakPolarHBondContact O-CB 3.29Å; T15-L19 VanDerWaalsContact O-CG 3.27Å; T15-L19 WeakPolarHBondContact O-CG 3.36Å; T15-L19 PolarHBondContact O-N 2.87Å; V16-L19 PolarHBondContact O-N 3.2Å; L19-I22 PolarHBondContact O-N 2.99Å; L19-A23 WeakPolarHBondContact O-CB 3.17Å; L19-A23 PolarHBondContact O-N 3.14Å |
| 20 | C | 94.3 | Very high | 89.6 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | V16 I17 L18 A23 V24 | V16-C20 VanDerWaalsContact O-CB 3.27Å; V16-C20 WeakPolarHBondContact O-CB 3.32Å; V16-C20 PolarHBondContact O-N 3.31Å; I17-C20 WeakPolarHBondContact O-CB 3.29Å; I17-C20 PolarHBondContact O-N 3.3Å; L18-C20 VanDerWaalsContact C-N 3.3Å; L18-C20 PolarHBondContact O-N 2.95Å; C20-A23 PolarHBondContact O-N 3.23Å; C20-V24 WeakPolarHBondContact O-CB 3.29Å; C20-V24 VanDerWaalsContact O-CG2 3.29Å; C20-V24 WeakPolarHBondContact O-CG2 3.25Å; C20-V24 PolarHBondContact O-N 2.92Å |
| 21 | I | 94.3 | Very high | 88.2 | Confident | 91 Ų | 91 | 88.2 Ų | 88.2 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 176.3 | -65.6 | 166 | 0 | 0 | 0 | 110.5 | I17 L18 A23 V24 L25 | I17-I21 HydrophobicContact CG2-CD1 3.91Å; I17-I21 WeakPolarHBondContact O-CG1 2.83Å; I17-I21 PolarHBondContact O-N 2.79Å; L18-I21 PolarHBondContact O-N 3.32Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-A23 PolarHBondContact O-N 3.18Å; I21-V24 PolarHBondContact O-N 3.19Å; I21-L25 HydrophobicContact CG2-CD1 3.79Å; I21-L25 HydrophobicContact CG2-CG 4.22Å; I21-L25 WeakPolarHBondContact O-CB 3.22Å; I21-L25 VanDerWaalsContact O-CG 3.25Å; I21-L25 WeakPolarHBondContact O-CG 3.44Å; I21-L25 PolarHBondContact O-N 2.95Å |
| 22 | I | 94.1 | Very high | 86.9 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 178.1 | -66.6 | 167.3 | 0 | 0 | 0 | 110.8 | L18 L19 L25 C26 | L18-I22 HydrophobicContact CD1-CD1 4.22Å; L18-I22 HydrophobicContact CG-CD1 3.92Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.19Å; L18-I22 PolarHBondContact O-N 3.3Å; L19-I22 PolarHBondContact O-N 2.99Å; I22-L25 PolarHBondContact O-N 3.49Å; I22-C26 WeakPolarHBondContact O-CB 3.38Å; I22-C26 PolarHBondContact O-N 3.18Å |
| 23 | A | 87.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L19 C20 I21 C26 Y27 | L19-A23 WeakPolarHBondContact O-CB 3.17Å; L19-A23 PolarHBondContact O-N 3.14Å; C20-A23 PolarHBondContact O-N 3.23Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-A23 PolarHBondContact O-N 3.18Å; A23-C26 PolarHBondContact O-N 2.91Å; A23-Y27 WeakPolarHBondContact O-CB 3.25Å; A23-Y27 PolarHBondContact O-N 2.91Å |
| 24 | V | 89.8 | Confident | 83.2 | Confident | 76 Ų | 76 | 91.6 Ų | 91.6 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | C20 I21 C26 Y27 C28 | C20-V24 WeakPolarHBondContact O-CB 3.29Å; C20-V24 VanDerWaalsContact O-CG2 3.29Å; C20-V24 WeakPolarHBondContact O-CG2 3.25Å; C20-V24 PolarHBondContact O-N 2.92Å; I21-V24 PolarHBondContact O-N 3.19Å; V24-C26 PolarHBondContact O-N 2.72Å; V24-Y27 CarbonylContact O-C 3.58Å; V24-Y27 PolarHBondContact O-N 3.35Å; V24-C28 VanDerWaalsContact O-CB 3.29Å; V24-C28 WeakPolarHBondContact O-CB 3.22Å; V24-C28 PolarHBondContact O-N 3.1Å; V24-C28 PolarHBondContact O-SG 2.91Å |
| 25 | L | 86.5 | Confident | 81.1 | Confident | 106 Ų | 106 | 92 Ų | 92 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -41.2 | 178.4 | -71.2 | 175.9 | 0 | 0 | 0 | 112.3 | I21 I22 Y27 R29 | I21-L25 HydrophobicContact CG2-CD1 3.79Å; I21-L25 HydrophobicContact CG2-CG 4.22Å; I21-L25 WeakPolarHBondContact O-CB 3.22Å; I21-L25 VanDerWaalsContact O-CG 3.25Å; I21-L25 WeakPolarHBondContact O-CG 3.44Å; I21-L25 PolarHBondContact O-N 2.95Å; I22-L25 PolarHBondContact O-N 3.49Å; L25-Y27 VanDerWaalsContact C-N 3.35Å; L25-R29 VanDerWaalsContact O-CB 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.45Å; L25-R29 VanDerWaalsContact O-CG 3.29Å; L25-R29 WeakPolarHBondContact O-CG 3.33Å; L25-R29 PolarHBondContact O-N 3.14Å |
| 26 | C | 87.3 | Confident | 78.9 | Confident | 81 Ų | 81 | 95 Ų | 95 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 174.7 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | I22 A23 V24 R29 L30 | I22-C26 WeakPolarHBondContact O-CB 3.38Å; I22-C26 PolarHBondContact O-N 3.18Å; A23-C26 PolarHBondContact O-N 2.91Å; V24-C26 PolarHBondContact O-N 2.72Å; C26-R29 PolarHBondContact O-N 3.24Å; C26-L30 WeakPolarHBondContact O-CB 3.27Å; C26-L30 PolarHBondContact O-N 2.96Å |
| 27 | Y | 81.3 | Confident | 76.4 | Confident | 130 Ų | 130 | 97.2 Ų | 97.2 | 51% | 0.51 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 177.5 | -175.6 | -114.9 | 0 | 0 | 0 | 112.2 | A23 V24 L25 R29 L30 Q31 | A23-Y27 WeakPolarHBondContact O-CB 3.25Å; A23-Y27 PolarHBondContact O-N 2.91Å; V24-Y27 CarbonylContact O-C 3.58Å; V24-Y27 PolarHBondContact O-N 3.35Å; L25-Y27 VanDerWaalsContact C-N 3.35Å; Y27-R29 VanDerWaalsContact C-N 3.35Å; Y27-L30 PolarHBondContact O-N 2.73Å; Y27-Q31 HydrophobicContact CD1-CG 4.43Å; Y27-Q31 VanDerWaalsContact CD1-NE2 3.31Å; Y27-Q31 HydrophobicContact CD2-CG 4.46Å; Y27-Q31 HydrophobicContact CE1-CG 4.12Å; Y27-Q31 HydrophobicContact CE2-CG 4.1Å; Y27-Q31 VanDerWaalsContact CZ-NE2 3.32Å; Y27-Q31 VanDerWaalsContact O-CB 3.27Å; Y27-Q31 WeakPolarHBondContact O-CB 3.46Å; Y27-Q31 WeakPolarHBondContact O-CG 3.37Å; Y27-Q31 PolarHBondContact O-N 2.82Å |
| 28 | C | 78 | Confident | 74.1 | Confident | 66 Ų | 66 | 98.6 Ų | 98.6 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 173.7 | -70.8 | 0 | 0 | 0 | 0 | 111.2 | V24 Y32 | V24-C28 VanDerWaalsContact O-CB 3.29Å; V24-C28 WeakPolarHBondContact O-CB 3.22Å; V24-C28 PolarHBondContact O-N 3.1Å; V24-C28 PolarHBondContact O-SG 2.91Å; C28-Y32 WeakPolarHBondContact O-CB 3.1Å; C28-Y32 PolarHBondContact O-N 3.4Å |
| 29 | R | 79.1 | Confident | 71.7 | Confident | 148 Ų | 148 | 97.2 Ų | 97.2 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.7 | -48.3 | 172.2 | -80.4 | -70.1 | -173.8 | -177.4 | 0.2 | 110.7 | L25 C26 Y27 Q31 Y32 Y33 | L25-R29 VanDerWaalsContact O-CB 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.45Å; L25-R29 VanDerWaalsContact O-CG 3.29Å; L25-R29 WeakPolarHBondContact O-CG 3.33Å; L25-R29 PolarHBondContact O-N 3.14Å; C26-R29 PolarHBondContact O-N 3.24Å; Y27-R29 VanDerWaalsContact C-N 3.35Å; R29-Q31 VanDerWaalsContact C-N 3.34Å; R29-Q31 PolarHBondContact O-N 2.68Å; R29-Y32 CarbonylContact O-C 3.53Å; R29-Y32 WeakPolarHBondContact O-CA 3.31Å; R29-Y32 WeakPolarHBondContact O-CB 3.38Å; R29-Y32 PolarHBondContact O-N 3.21Å; R29-Y32 VanDerWaalsContact O-N 3.1Å; R29-Y33 VanDerWaalsContact C-CD2 3.46Å; R29-Y33 HydrophobicContact CB-CD2 4.22Å; R29-Y33 HydrophobicContact CB-CE2 3.91Å; R29-Y33 HydrophobicContact CG-CE2 4.48Å; R29-Y33 WeakPolarHBondContact O-CD2 3.3Å; R29-Y33 PolarHBondContact O-N 3.45Å |
| 30 | L | 67.7 | Low | 69.4 | Low | 101 Ų | 101 | 95.9 Ų | 95.9 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 179.3 | -171.3 | 64.2 | 0 | 0 | 0 | 110.8 | C26 Y27 Y33 C34 | C26-L30 WeakPolarHBondContact O-CB 3.27Å; C26-L30 PolarHBondContact O-N 2.96Å; Y27-L30 PolarHBondContact O-N 2.73Å; L30-Y33 CarbonylContact O-C 3.48Å; L30-Y33 PolarHBondContact O-N 2.75Å; L30-C34 VanDerWaalsContact O-CB 3.32Å; L30-C34 WeakPolarHBondContact O-CB 3.32Å; L30-C34 PolarHBondContact O-N 3.32Å; L30-C34 PolarHBondContact O-SG 2.8Å |
| 31 | Q | 61.2 | Low | 66.9 | Low | 50 Ų | 50 | 97.6 Ų | 97.6 | 23% | 0.234 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 170.9 | -79.4 | -161.6 | 77.9 | 0 | 0 | 111.9 | Y27 R29 Y33 C34 C35 | Y27-Q31 HydrophobicContact CD1-CG 4.43Å; Y27-Q31 VanDerWaalsContact CD1-NE2 3.31Å; Y27-Q31 HydrophobicContact CD2-CG 4.46Å; Y27-Q31 HydrophobicContact CE1-CG 4.12Å; Y27-Q31 HydrophobicContact CE2-CG 4.1Å; Y27-Q31 VanDerWaalsContact CZ-NE2 3.32Å; Y27-Q31 VanDerWaalsContact O-CB 3.27Å; Y27-Q31 WeakPolarHBondContact O-CB 3.46Å; Y27-Q31 WeakPolarHBondContact O-CG 3.37Å; Y27-Q31 PolarHBondContact O-N 2.82Å; R29-Q31 VanDerWaalsContact C-N 3.34Å; R29-Q31 PolarHBondContact O-N 2.68Å; Q31-Y33 VanDerWaalsContact C-N 3.28Å; Q31-Y33 PolarHBondContact O-N 3.17Å; Q31-C34 PolarHBondContact O-N 2.88Å; Q31-C35 VanDerWaalsContact O-CB 3.25Å; Q31-C35 WeakPolarHBondContact O-CB 3.43Å; Q31-C35 PolarHBondContact O-N 3.48Å; Q31-C35 PolarHBondContact O-SG 2.84Å |
| 32 | Y | 62.9 | Low | 64.5 | Low | 132 Ų | 132 | 99.5 Ų | 99.5 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 173.1 | 176.6 | -98.7 | 0 | 0 | 0 | 111.8 | C28 R29 K36 | C28-Y32 WeakPolarHBondContact O-CB 3.1Å; C28-Y32 PolarHBondContact O-N 3.4Å; R29-Y32 CarbonylContact O-C 3.53Å; R29-Y32 WeakPolarHBondContact O-CA 3.31Å; R29-Y32 WeakPolarHBondContact O-CB 3.38Å; R29-Y32 PolarHBondContact O-N 3.21Å; R29-Y32 VanDerWaalsContact O-N 3.1Å; Y32-K36 HydrophobicContact CE1-CD 4.44Å; Y32-K36 WeakPolarHBondContact O-CB 3.4Å; Y32-K36 PolarHBondContact O-N 2.76Å |
| 33 | Y | 54.3 | Low | 62.1 | Low | 127 Ų | 127 | 98 Ų | 98 | 50% | 0.498 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.8 | -34.8 | 175.2 | -68.2 | -62.8 | 0 | 0 | 0 | 112.2 | R29 L30 Q31 K37 | R29-Y33 VanDerWaalsContact C-CD2 3.46Å; R29-Y33 HydrophobicContact CB-CD2 4.22Å; R29-Y33 HydrophobicContact CB-CE2 3.91Å; R29-Y33 HydrophobicContact CG-CE2 4.48Å; R29-Y33 WeakPolarHBondContact O-CD2 3.3Å; R29-Y33 PolarHBondContact O-N 3.45Å; L30-Y33 CarbonylContact O-C 3.48Å; L30-Y33 PolarHBondContact O-N 2.75Å; Q31-Y33 VanDerWaalsContact C-N 3.28Å; Q31-Y33 PolarHBondContact O-N 3.17Å; Y33-K37 WeakPolarHBondContact O-CA 3.37Å; Y33-K37 WeakPolarHBondContact O-CB 3.49Å; Y33-K37 PolarHBondContact O-N 3.43Å |
| 34 | C | 57.3 | Low | 59.6 | Low | 55 Ų | 55 | 100.3 Ų | 100.3 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.2 | -51.6 | 173.5 | -71.3 | 0 | 0 | 0 | 0 | 109.7 | L30 Q31 K36 K37 N38 | L30-C34 VanDerWaalsContact O-CB 3.32Å; L30-C34 WeakPolarHBondContact O-CB 3.32Å; L30-C34 PolarHBondContact O-N 3.32Å; L30-C34 PolarHBondContact O-SG 2.8Å; Q31-C34 PolarHBondContact O-N 2.88Å; C34-K36 VanDerWaalsContact C-N 3.29Å; C34-K36 PolarHBondContact O-N 3.37Å; C34-K37 PolarHBondContact O-N 2.83Å; C34-N38 WeakPolarHBondContact O-CB 3.4Å; C34-N38 PolarHBondContact O-N 3.24Å; C34-N38 PolarHBondContact O-ND2 3.47Å; C34-N38 PolarHBondContact O-OD1 3.35Å |
| 35 | C | 50.6 | Low | 57.2 | Low | 67 Ų | 67 | 104.7 Ų | 104.7 | 45% | 0.453 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.9 | -38.1 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | Q31 | Q31-C35 VanDerWaalsContact O-CB 3.25Å; Q31-C35 WeakPolarHBondContact O-CB 3.43Å; Q31-C35 PolarHBondContact O-N 3.48Å; Q31-C35 PolarHBondContact O-SG 2.84Å |
| 36 | K | 48.3 | Very low | 54.7 | Low | 138 Ų | 138 | 105 Ų | 105 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.5 | -41.1 | 175 | -176.5 | 170 | 177 | 175.8 | 0 | 113 | Y32 C34 G39 | Y32-K36 HydrophobicContact CE1-CD 4.44Å; Y32-K36 WeakPolarHBondContact O-CB 3.4Å; Y32-K36 PolarHBondContact O-N 2.76Å; C34-K36 VanDerWaalsContact C-N 3.29Å; C34-K36 PolarHBondContact O-N 3.37Å; K36-G39 PolarHBondContact O-N 2.77Å |
| 37 | K | 44 | Very low | 52.4 | Low | 134 Ų | 134 | 110.3 Ų | 110.3 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.5 | -33.9 | -178.8 | -174.1 | 173.6 | 177.9 | -175.8 | 0 | 112.2 | Y33 C34 G39 S40 D41 | Y33-K37 WeakPolarHBondContact O-CA 3.37Å; Y33-K37 WeakPolarHBondContact O-CB 3.49Å; Y33-K37 PolarHBondContact O-N 3.43Å; C34-K37 PolarHBondContact O-N 2.83Å; K37-G39 PolarHBondContact O-N 2.74Å; K37-S40 PolarHBondContact O-N 3.49Å; K37-D41 PolarHBondContact O-N 2.73Å; K37-D41 VanDerWaalsContact O-N 3.14Å |
| 38 | N | 47.2 | Very low | 50.4 | Low | 131 Ų | 131 | 112 Ų | 112 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -20.6 | 172.8 | -60.7 | -1 | 0 | 0 | 0 | 112.2 | C34 | C34-N38 WeakPolarHBondContact O-CB 3.4Å; C34-N38 PolarHBondContact O-N 3.24Å; C34-N38 PolarHBondContact O-ND2 3.47Å; C34-N38 PolarHBondContact O-OD1 3.35Å |
| 39 | G | 45.9 | Very low | 48.6 | Very low | 72 Ų | 72 | 117.3 Ų | 117.3 | 74% | 0.742 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -8.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K36 K37 | K36-G39 PolarHBondContact O-N 2.77Å; K37-G39 PolarHBondContact O-N 2.74Å |
| 40 | S | 44.9 | Very low | 46.7 | Very low | 85 Ų | 85 | 119.9 Ų | 119.9 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | -22.2 | -170.9 | -166.4 | 0 | 0 | 0 | 0 | 115.6 | K37 | K37-S40 PolarHBondContact O-N 3.49Š|
| 41 | D | 41.6 | Very low | 45.4 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | trans | -130.7 | 72.4 | -178 | -63.2 | -40.3 | 0 | 0 | 0 | 111.5 | K37 G43 | K37-D41 PolarHBondContact O-N 2.73Å; K37-D41 VanDerWaalsContact O-N 3.14Å; D41-G43 PolarHBondContact O-N 3.07Å | ||
| 42 | S | 44.3 | Very low | 44.4 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 92% | 0.916 | 66% | 0.659 | S | S | * | * | trans | -69.1 | 83.7 | 159.7 | 55.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 43 | G | 43.7 | Very low | 43.7 | Very low | 57 Ų | 57 | 118.2 Ų | 118.2 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | trans | -164.8 | 76.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D41 | D41-G43 PolarHBondContact O-N 3.07Š| ||
| 44 | S | 35.6 | Very low | 43.3 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | 72.8 | 120.5 | 156.3 | 72.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 45 | L | 40.6 | Very low | 42.9 | Very low | 167 Ų | 167 | 116 Ų | 116 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | trans | 64.9 | 77.3 | 141.2 | -60.6 | 161 | 0 | 0 | 0 | 117.5 | ||||
| 46 | S | 32.5 | Very low | 42.6 | Very low | 113 Ų | 113 | 116.1 Ų | 116.1 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | trans | -155 | 82.7 | 135.3 | 32.2 | 0 | 0 | 0 | 0 | 109.8 | Q48 | S46-Q48 PolarHBondContact O-N 3.49Š| ||
| 47 | Q | 38.7 | Very low | 42.1 | Very low | 193 Ų | 193 | 115.9 Ų | 115.9 | 90% | 0.902 | 68% | 0.681 | S | S | * | * | trans | -54.4 | 81.2 | 156.4 | 179.8 | -179.6 | -2.6 | 0 | 0 | 109.7 | ||||
| 48 | Q | 40.4 | Very low | 41.9 | Very low | 165 Ų | 165 | 115.1 Ų | 115.1 | 77% | 0.771 | 69% | 0.688 | S | S | * | * | trans | -140.8 | 74.7 | 163 | -94 | -175.2 | -28 | 0 | 0 | 108.8 | S46 F50 | S46-Q48 PolarHBondContact O-N 3.49Å; Q48-F50 VanDerWaalsContact C-N 3.29Å; Q48-F50 PolarHBondContact O-N 2.93Å | ||
| 49 | H | 40.5 | Very low | 41.6 | Very low | 177 Ų | 177 | 111.8 Ų | 111.8 | 82% | 0.819 | 69% | 0.685 | S | S | * | * | 23.8 | 62.5 | 124.7 | -151.1 | -93.6 | 0 | 0 | 0 | 116.9 | |||||
| 50 | F | 39 | Very low | 41.8 | Very low | 203 Ų | 203 | 115.8 Ų | 115.8 | 89% | 0.89 | 69% | 0.688 | S | S | * | * | trans | -120.5 | 77.1 | 145.7 | -81.9 | -82.3 | 0 | 0 | 0 | 106.1 | Q48 C52 | Q48-F50 VanDerWaalsContact C-N 3.29Å; Q48-F50 PolarHBondContact O-N 2.93Å; F50-C52 PolarHBondContact O-N 2.94Å | ||
| 51 | A | 39.1 | Very low | 41.5 | Very low | 63 Ų | 63 | 119.4 Ų | 119.4 | 52% | 0.521 | 70% | 0.701 | S | S | . | * | trans | -52 | 112.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | N53 | A51-N53 VanDerWaalsContact CB-OD1 3.31Å; A51-N53 WeakPolarHBondContact CB-OD1 3.23Å; A51-N53 PolarHBondContact O-N 3.24Å; A51-N53 PolarHBondContact O-OD1 2.89Å; A51-N53 VanDerWaalsContact O-OD1 3.06Å | ||
| 52 | C | 41.7 | Very low | 41.2 | Very low | 53 Ų | 53 | 117.5 Ų | 117.5 | 36% | 0.358 | 71% | 0.708 | S | S | . | * | trans | -70.4 | 88.6 | 165.2 | -176.6 | 0 | 0 | 0 | 0 | 106.3 | F50 A54 C55 | F50-C52 PolarHBondContact O-N 2.94Å; C52-A54 PolarHBondContact O-N 3.46Å; C52-C55 PolarHBondContact O-N 3.28Å; C52-C55 VanDerWaalsContact O-N 3.15Å | ||
| 53 | N | 47.5 | Very low | 41.3 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -5.1 | -176.3 | -58.3 | -24.3 | 0 | 0 | 0 | 113.4 | A51 S56 | A51-N53 VanDerWaalsContact CB-OD1 3.31Å; A51-N53 WeakPolarHBondContact CB-OD1 3.23Å; A51-N53 PolarHBondContact O-N 3.24Å; A51-N53 PolarHBondContact O-OD1 2.89Å; A51-N53 VanDerWaalsContact O-OD1 3.06Å; N53-S56 PolarHBondContact O-OG 3.44Å |
| 54 | A | 46.2 | Very low | 40.9 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -20.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C52 | C52-A54 PolarHBondContact O-N 3.46Š|
| 55 | C | 48.4 | Very low | 41.1 | Very low | 58 Ų | 58 | 124.2 Ų | 124.2 | 39% | 0.392 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.3 | -0.1 | 172.1 | -75.5 | 0 | 0 | 0 | 0 | 112.8 | C52 I57 C92 | C52-C55 PolarHBondContact O-N 3.28Å; C52-C55 VanDerWaalsContact O-N 3.15Å; C55-I57 VanDerWaalsContact C-N 3.28Å; C55-I57 PolarHBondContact O-N 2.82Å; C55-I57 VanDerWaalsContact O-N 3.12Å; C55-C92 HydrophobicContact CB-CB 4.44Å; C55-C92 WeakPolarHBondContact CB-SG 3.31Å; C55-C92 WeakPolarHBondContact SG-CB 3.27Å; C55-C92 CovalentContact SG-SG 2.1Å; C55-C92 PolarHBondContact SG-SG 2.94Å |
| 56 | S | 44.9 | Very low | 40.7 | Very low | 69 Ų | 69 | 122 Ų | 122 | 48% | 0.483 | 71% | 0.709 | S | S | . | * | trans | -82.2 | 77.2 | 164.9 | 57.9 | 0 | 0 | 0 | 0 | 109.3 | N53 T58 | N53-S56 PolarHBondContact O-OG 3.44Å; S56-T58 VanDerWaalsContact C-N 3.31Å; S56-T58 PolarHBondContact O-N 3.44Å | ||
| 57 | I | 36.4 | Very low | 40.8 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 68% | 0.677 | 71% | 0.709 | S | S | * | * | trans | -59.8 | 108.8 | 153.4 | -74.4 | 171.1 | 0 | 0 | 0 | 104.4 | C55 G59 | C55-I57 VanDerWaalsContact C-N 3.28Å; C55-I57 PolarHBondContact O-N 2.82Å; C55-I57 VanDerWaalsContact O-N 3.12Å; I57-G59 PolarHBondContact O-N 2.91Å | ||
| 58 | T | 40.5 | Very low | 40.7 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | trans | -57.6 | 87.7 | 164.8 | -49.2 | 0 | 0 | 0 | 0 | 106.3 | S56 L60 | S56-T58 VanDerWaalsContact C-N 3.31Å; S56-T58 PolarHBondContact O-N 3.44Å; T58-L60 VanDerWaalsContact C-N 3.26Å; T58-L60 PolarHBondContact O-N 2.88Å | ||
| 59 | G | 40.9 | Very low | 40.3 | Very low | 60 Ų | 60 | 119.1 Ų | 119.1 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | trans | -57.9 | 101.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | I57 D61 | I57-G59 PolarHBondContact O-N 2.91Å; G59-D61 PolarHBondContact O-N 3.46Å | ||
| 60 | L | 49.6 | Very low | 40 | Very low | 157 Ų | 157 | 118.4 Ų | 118.4 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -67.7 | 88.4 | 174.5 | -167.6 | 90.6 | 0 | 0 | 0 | 107.3 | T58 | T58-L60 VanDerWaalsContact C-N 3.26Å; T58-L60 PolarHBondContact O-N 2.88Å | ||
| 61 | D | 39.6 | Very low | 39.6 | Very low | 161 Ų | 161 | 114.3 Ų | 114.3 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | -136.3 | 112.4 | 155.9 | -80.8 | -47 | 0 | 0 | 0 | 107.4 | G59 | G59-D61 PolarHBondContact O-N 3.46Š| ||
| 62 | G | 35.6 | Very low | 39.6 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 72% | 0.721 | S | S | * | * | trans | -79.1 | -148.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 63 | P | 45.9 | Very low | 39.8 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | -124.5 | 139.3 | -102.7 | 33.8 | -19.8 | 0 | 0 | 0 | 112.9 | |||||
| 64 | I | 36.1 | Very low | 39.1 | Very low | 167 Ų | 167 | 123.2 Ų | 123.2 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -146.8 | 104.8 | 157.8 | -47.2 | 177.3 | 0 | 0 | 0 | 103 | ||||
| 65 | I | 38.6 | Very low | 38.9 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | -154.7 | 133.9 | 74.6 | -68.1 | 160.7 | 0 | 0 | 0 | 108.9 | |||||
| 66 | T | 32.3 | Very low | 38.3 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -30.3 | 146.4 | 164.7 | 40.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 67 | P | 35.4 | Very low | 37.5 | Very low | 124 Ų | 124 | 133 Ų | 133 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | -126.3 | 143.8 | 102.7 | 35.9 | -29.4 | 0 | 0 | 0 | 113.7 | |||||
| 68 | L | 35.4 | Very low | 37.7 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -19.3 | 121.8 | 175.9 | -73.7 | 59.6 | 0 | 0 | 0 | 117.4 | ||||
| 69 | S | 32 | Very low | 37.3 | Very low | 124 Ų | 124 | 135 Ų | 135 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -162.5 | 144.9 | 137.8 | -140.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 70 | L | 34.7 | Very low | 37.1 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -80.9 | 151.1 | -160.8 | -71.9 | 82.7 | 0 | 0 | 0 | 115.5 | ||||
| 71 | S | 31 | Very low | 36.6 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 102.4 | 158.3 | 148.3 | 99.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 72 | P | 38.8 | Very low | 36.4 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | -129.6 | -161.5 | -114.8 | 46 | -25.4 | 0 | 0 | 0 | 114.4 | |||||
| 73 | P | 46.7 | Very low | 36.4 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | -111.8 | 167.5 | -115.1 | 34.1 | -13.3 | 0 | 0 | 0 | 116 | |||||
| 74 | E | 31.7 | Very low | 35.8 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -178.5 | 158.9 | 144.7 | -99.3 | -159.8 | 136.5 | 0 | 0 | 113.3 | ||||
| 75 | P | 43 | Very low | 36.1 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -123.3 | 164.4 | -135.4 | 41.2 | -27.9 | 0 | 0 | 0 | 118.7 | ||||
| 76 | A | 34.2 | Very low | 36 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | 63.7 | 125.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 77 | K | 28.9 | Very low | 36.3 | Very low | 207 Ų | 207 | 136.8 Ų | 136.8 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | -157.4 | 113.4 | 126.2 | -107.4 | 166.8 | -161.9 | 179.5 | 0 | 112.2 | |||||
| 78 | S | 40.8 | Very low | 36.6 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -45.1 | 138.7 | 162.6 | 161.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 79 | F | 32.2 | Very low | 37 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -156.2 | 108.1 | 131 | -94.2 | -74.3 | 0 | 0 | 0 | 109.8 | ||||
| 80 | N | 36.9 | Very low | 37.5 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -75.9 | 147.2 | 154.8 | -77.1 | -49.8 | 0 | 0 | 0 | 108.4 | ||||
| 81 | P | 38.6 | Very low | 37.9 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | -130.6 | 133.4 | 120.9 | 31.5 | -19.6 | 0 | 0 | 0 | 112.7 | |||||
| 82 | T | 35 | Very low | 38.6 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -63.7 | 135.7 | 177.9 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 83 | K | 35.8 | Very low | 39.2 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | 70.6 | 108.1 | 143 | -167 | -175.6 | -172.2 | -174.8 | 0 | 117.1 | ||||
| 84 | L | 33.7 | Very low | 39.3 | Very low | 154 Ų | 154 | 137 Ų | 137 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | -165.8 | 117.3 | 108.8 | -116.4 | 102.3 | 0 | 0 | 0 | 110.8 | V86 | L84-V86 PolarHBondContact O-N 2.99Š| |||
| 85 | T | 43.4 | Very low | 40.2 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | trans | -68.2 | 105.6 | 167.6 | 40.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 86 | V | 36.3 | Very low | 40.2 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | trans | -147.3 | 108.8 | 152.5 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | L84 Q88 | L84-V86 PolarHBondContact O-N 2.99Å; V86-Q88 PolarHBondContact O-N 3.09Å | ||
| 87 | G | 38.7 | Very low | 41 | Very low | 56 Ų | 56 | 129.6 Ų | 129.6 | 58% | 0.577 | 70% | 0.702 | S | S | * | * | trans | 34.2 | 79.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118 | H89 | G87-H89 PolarHBondContact O-CD2 3.13Å; G87-H89 VanDerWaalsContact O-CD2 3.29Å; G87-H89 PolarHBondContact O-N 2.92Å | ||
| 88 | Q | 41.2 | Very low | 41.8 | Very low | 193 Ų | 193 | 125.9 Ų | 125.9 | 90% | 0.902 | 68% | 0.684 | S | S | * | * | trans | -70.6 | 79.1 | 160.7 | -93.6 | -174 | -29.2 | 0 | 0 | 109.2 | V86 H90 | V86-Q88 PolarHBondContact O-N 3.09Å; Q88-H90 PolarHBondContact O-N 3.38Å | ||
| 89 | H | 42.6 | Very low | 42.2 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 62% | 0.616 | 68% | 0.681 | S | S | * | * | trans | -61.5 | 124.5 | 164.3 | -69.8 | -82.6 | 0 | 0 | 0 | 108.3 | G87 Y91 | G87-H89 PolarHBondContact O-CD2 3.13Å; G87-H89 VanDerWaalsContact O-CD2 3.29Å; G87-H89 PolarHBondContact O-N 2.92Å; H89-Y91 HydrophobicContact CB-CD2 3.48Å; H89-Y91 VanDerWaalsContact CB-CD2 3.48Å; H89-Y91 HydrophobicContact CB-CE2 3.15Å; H89-Y91 AromaticContact CG-CE2 3.87Å; H89-Y91 WeakPolarHBondContact O-CD2 3.37Å; H89-Y91 PolarHBondContact O-N 3.41Å | ||
| 90 | H | 42.8 | Very low | 43.1 | Very low | 198 Ų | 198 | 120.1 Ų | 120.1 | 92% | 0.917 | 66% | 0.659 | S | S | * | * | trans | -65.5 | 76.9 | 173.7 | -66.2 | -91.8 | 0 | 0 | 0 | 110.4 | Q88 | Q88-H90 PolarHBondContact O-N 3.38Š| ||
| 91 | Y | 43.5 | Very low | 43.9 | Very low | 187 Ų | 187 | 119.5 Ų | 119.5 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | trans | -86.6 | 111.1 | 169.7 | -71.2 | -73.7 | 0 | 0 | 0 | 108.5 | H89 P93 | H89-Y91 HydrophobicContact CB-CD2 3.48Å; H89-Y91 VanDerWaalsContact CB-CD2 3.48Å; H89-Y91 HydrophobicContact CB-CE2 3.15Å; H89-Y91 AromaticContact CG-CE2 3.87Å; H89-Y91 WeakPolarHBondContact O-CD2 3.37Å; H89-Y91 PolarHBondContact O-N 3.41Å; Y91-P93 WeakPolarHBondContact O-CD 3.31Å | ||
| 92 | C | 46.4 | Very low | 44.6 | Very low | 33 Ų | 33 | 122.3 Ų | 122.3 | 22% | 0.223 | 66% | 0.662 | C | S | . | * | trans | -70.9 | 119.4 | 168.5 | -161.2 | 0 | 0 | 0 | 0 | 106.5 | C55 T94 C95 | C55-C92 HydrophobicContact CB-CB 4.44Å; C55-C92 WeakPolarHBondContact CB-SG 3.31Å; C55-C92 WeakPolarHBondContact SG-CB 3.27Å; C55-C92 CovalentContact SG-SG 2.1Å; C55-C92 PolarHBondContact SG-SG 2.94Å; C92-T94 PolarHBondContact O-N 2.88Å; C92-C95 HydrophobicContact CB-CB 4.36Å; C92-C95 PolarHBondContact O-N 2.85Å | ||
| 93 | P | 49.9 | Very low | 45.5 | Very low | 74 Ų | 74 | 121 Ų | 121 | 48% | 0.481 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.5 | -16.4 | -171.7 | 22.9 | -32.1 | 0 | 0 | 0 | 113.1 | Y91 | Y91-P93 WeakPolarHBondContact O-CD 3.31Š|
| 94 | T | 49.6 | Very low | 46.4 | Very low | 113 Ų | 113 | 119 Ų | 119 | 69% | 0.693 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -8.4 | 177.1 | 2.7 | 0 | 0 | 0 | 0 | 114.8 | C92 | C92-T94 PolarHBondContact O-N 2.88Š|
| 95 | C | 50.6 | Low | 47.4 | Very low | 76 Ų | 76 | 121.3 Ų | 121.3 | 51% | 0.514 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -110.9 | 5.3 | -172.3 | -67.6 | 0 | 0 | 0 | 0 | 114.1 | C92 P97 | C92-C95 HydrophobicContact CB-CB 4.36Å; C92-C95 PolarHBondContact O-N 2.85Å; C95-P97 WeakPolarHBondContact O-CD 3.18Å |
| 96 | S | 44.3 | Very low | 47.9 | Very low | 52 Ų | 52 | 119.8 Ų | 119.8 | 36% | 0.364 | 63% | 0.63 | S | S | . | * | trans | -86.2 | 119.8 | 170.6 | 147 | 0 | 0 | 0 | 0 | 108.8 | Y98 D99 | S96-Y98 PolarHBondContact O-N 3.49Å; S96-Y98 PolarHBondContact OG-N 3.34Å; S96-D99 PolarHBondContact O-N 3.32Å; S96-D99 PolarHBondContact OG-N 3.48Å | ||
| 97 | P | 49.2 | Very low | 48.6 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 77% | 0.766 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -2.7 | 174 | -19.2 | 31.6 | 0 | 0 | 0 | 114 | C95 | C95-P97 WeakPolarHBondContact O-CD 3.18Š|
| 98 | Y | 47.3 | Very low | 49.2 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 51% | 0.506 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.5 | 3.4 | -169.6 | -95.1 | -111.4 | 0 | 0 | 0 | 113.9 | S96 S100 Y103 | S96-Y98 PolarHBondContact O-N 3.49Å; S96-Y98 PolarHBondContact OG-N 3.34Å; Y98-S100 VanDerWaalsContact C-N 3.29Å; Y98-S100 PolarHBondContact O-N 3.39Å; Y98-Y103 AromaticContact CD1-CD1 3.27Å; Y98-Y103 HydrophobicContact CD1-CD1 3.27Å; Y98-Y103 HydrophobicContact CD1-CD2 4.31Å; Y98-Y103 AromaticContact CD1-CE1 3.34Å; Y98-Y103 HydrophobicContact CD1-CE1 3.34Å; Y98-Y103 HydrophobicContact CD1-CE2 4.31Å; Y98-Y103 AromaticContact CD1-CG 3.82Å; Y98-Y103 HydrophobicContact CD1-CG 3.82Å; Y98-Y103 AromaticContact CD1-CZ 3.87Å; Y98-Y103 HydrophobicContact CD2-CE2 4.27Å; Y98-Y103 AromaticContact CE1-CD1 3.35Å; Y98-Y103 HydrophobicContact CE1-CD1 3.35Å; Y98-Y103 HydrophobicContact CE1-CD2 4.48Å; Y98-Y103 AromaticContact CE1-CE1 2.83Å; Y98-Y103 HydrophobicContact CE1-CE1 2.83Å; Y98-Y103 HydrophobicContact CE1-CE2 4.06Å; Y98-Y103 HydrophobicContact CE1-CG 4.17Å; Y98-Y103 AromaticContact CE1-CZ 3.24Å; Y98-Y103 HydrophobicContact CE2-CE1 4.18Å; Y98-Y103 AromaticContact CE2-CE2 3.94Å; Y98-Y103 HydrophobicContact CE2-CE2 3.94Å; Y98-Y103 AromaticContact CE2-CZ 3.71Å; Y98-Y103 HydrophobicContact CG-CD1 4.08Å; Y98-Y103 HydrophobicContact CG-CD2 4.37Å; Y98-Y103 HydrophobicContact CG-CE1 4.23Å; Y98-Y103 HydrophobicContact CG-CE2 4.45Å; Y98-Y103 HydrophobicContact CG-CG 4.19Å; Y98-Y103 AromaticContact CZ-CE1 3.31Å; Y98-Y103 AromaticContact CZ-CE2 3.84Å; Y98-Y103 AromaticContact CZ-CZ 3.12Å; Y98-Y103 VanDerWaalsContact OH-CZ 3.31Å; Y98-Y103 PolarHBondContact OH-OH 2.97Å |
| 99 | D | 49.1 | Very low | 49.9 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 60% | 0.599 | 63% | 0.627 | S | S | * | * | trans | -91.9 | 17.1 | -178.3 | -135.8 | -16 | 0 | 0 | 0 | 113.5 | S96 | S96-D99 PolarHBondContact O-N 3.32Å; S96-D99 PolarHBondContact OG-N 3.48Å | ||
| 100 | S | 49.5 | Very low | 50.4 | Low | 59 Ų | 59 | 122.3 Ų | 122.3 | 41% | 0.413 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -83.3 | 133.9 | 170.1 | 93.3 | 0 | 0 | 0 | 0 | 108.9 | Y98 F102 Y103 | Y98-S100 VanDerWaalsContact C-N 3.29Å; Y98-S100 PolarHBondContact O-N 3.39Å; S100-F102 PolarHBondContact O-N 3.49Å; S100-Y103 PolarHBondContact O-N 2.98Å; S100-Y103 PolarHBondContact OG-N 2.93Å |
| 101 | P | 54.7 | Low | 50.9 | Low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -2.9 | 178.3 | 27.5 | -34.4 | 0 | 0 | 0 | 113.3 | ||
| 102 | F | 53 | Low | 51.3 | Low | 185 Ų | 185 | 123.7 Ų | 123.7 | 81% | 0.811 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 1.8 | 175 | -60 | -75.6 | 0 | 0 | 0 | 113.3 | S100 I104 | S100-F102 PolarHBondContact O-N 3.49Å; F102-I104 PolarHBondContact O-N 3.39Å |
| 103 | Y | 53.2 | Low | 51.8 | Low | 94 Ų | 94 | 125.6 Ų | 125.6 | 37% | 0.369 | 67% | 0.668 | S | S | . | * | trans | -80 | 101.4 | 174.6 | -161.1 | -77.8 | 0 | 0 | 0 | 109.9 | Y98 S100 R105 | Y98-Y103 AromaticContact CD1-CD1 3.27Å; Y98-Y103 HydrophobicContact CD1-CD1 3.27Å; Y98-Y103 HydrophobicContact CD1-CD2 4.31Å; Y98-Y103 AromaticContact CD1-CE1 3.34Å; Y98-Y103 HydrophobicContact CD1-CE1 3.34Å; Y98-Y103 HydrophobicContact CD1-CE2 4.31Å; Y98-Y103 AromaticContact CD1-CG 3.82Å; Y98-Y103 HydrophobicContact CD1-CG 3.82Å; Y98-Y103 AromaticContact CD1-CZ 3.87Å; Y98-Y103 HydrophobicContact CD2-CE2 4.27Å; Y98-Y103 AromaticContact CE1-CD1 3.35Å; Y98-Y103 HydrophobicContact CE1-CD1 3.35Å; Y98-Y103 HydrophobicContact CE1-CD2 4.48Å; Y98-Y103 AromaticContact CE1-CE1 2.83Å; Y98-Y103 HydrophobicContact CE1-CE1 2.83Å; Y98-Y103 HydrophobicContact CE1-CE2 4.06Å; Y98-Y103 HydrophobicContact CE1-CG 4.17Å; Y98-Y103 AromaticContact CE1-CZ 3.24Å; Y98-Y103 HydrophobicContact CE2-CE1 4.18Å; Y98-Y103 AromaticContact CE2-CE2 3.94Å; Y98-Y103 HydrophobicContact CE2-CE2 3.94Å; Y98-Y103 AromaticContact CE2-CZ 3.71Å; Y98-Y103 HydrophobicContact CG-CD1 4.08Å; Y98-Y103 HydrophobicContact CG-CD2 4.37Å; Y98-Y103 HydrophobicContact CG-CE1 4.23Å; Y98-Y103 HydrophobicContact CG-CE2 4.45Å; Y98-Y103 HydrophobicContact CG-CG 4.19Å; Y98-Y103 AromaticContact CZ-CE1 3.31Å; Y98-Y103 AromaticContact CZ-CE2 3.84Å; Y98-Y103 AromaticContact CZ-CZ 3.12Å; Y98-Y103 VanDerWaalsContact OH-CZ 3.31Å; Y98-Y103 PolarHBondContact OH-OH 2.97Å; S100-Y103 PolarHBondContact O-N 2.98Å; S100-Y103 PolarHBondContact OG-N 2.93Å; Y103-R105 PolarHBondContact O-N 3.4Å | ||
| 104 | I | 55.8 | Low | 52.5 | Low | 139 Ų | 139 | 126.2 Ų | 126.2 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | -71.5 | 109.2 | 168.7 | -64.4 | 165.7 | 0 | 0 | 0 | 107 | F102 T106 | F102-I104 PolarHBondContact O-N 3.39Å; I104-T106 PolarHBondContact O-N 3.06Å | ||
| 105 | R | 54 | Low | 52.8 | Low | 202 Ų | 202 | 129.4 Ų | 129.4 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | trans | -57.9 | 101.4 | 164.2 | -91 | -159.2 | -176.5 | -172.9 | 3.1 | 108.1 | Y103 T107 | Y103-R105 PolarHBondContact O-N 3.4Å; R105-T107 VanDerWaalsContact C-N 3.29Å; R105-T107 PolarHBondContact O-N 3.27Å | ||
| 106 | T | 53.6 | Low | 53.4 | Low | 106 Ų | 106 | 137.2 Ų | 137.2 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | trans | -72.3 | 92.4 | 164.6 | -2.1 | 0 | 0 | 0 | 0 | 108 | I104 D108 | I104-T106 PolarHBondContact O-N 3.06Å; T106-D108 PolarHBondContact O-N 2.94Å | ||
| 107 | T | 52.1 | Low | 54.2 | Low | 96 Ų | 96 | 141 Ų | 141 | 59% | 0.589 | 73% | 0.734 | S | S | * | * | trans | 52.4 | 51.7 | 138.1 | 52.6 | 0 | 0 | 0 | 0 | 117.2 | R105 E109 | R105-T107 VanDerWaalsContact C-N 3.29Å; R105-T107 PolarHBondContact O-N 3.27Å; T107-E109 PolarHBondContact O-N 3.09Å | ||
| 108 | D | 51.7 | Low | 54.6 | Low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -90.4 | 33.4 | 156.2 | -166.5 | 39.3 | 0 | 0 | 0 | 111.4 | T106 | T106-D108 PolarHBondContact O-N 2.94Š|
| 109 | E | 54.9 | Low | 54.8 | Low | 163 Ų | 163 | 143.5 Ų | 143.5 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -154.2 | 51.1 | 174 | -149.2 | 179.3 | 145 | 0 | 0 | 112.1 | T107 | T107-E109 PolarHBondContact O-N 3.09Š| ||
| 110 | I | 53.2 | Low | 55.2 | Low | 144 Ų | 144 | 145.3 Ų | 145.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -116.9 | 104.4 | 157 | 45.7 | 162.9 | 0 | 0 | 0 | 108.7 | ||||
| 111 | R | 53.9 | Low | 55 | Low | 233 Ų | 233 | 146.9 Ų | 146.9 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | -51 | 143.7 | 172.1 | -67.3 | 173.1 | 170 | -160.9 | -3.7 | 110.4 | G113 | R111-G113 PolarHBondContact O-N 3.05Š| ||
| 112 | N | 52.3 | Low | 54.7 | Low | 180 Ų | 180 | 147.2 Ų | 147.2 | 96% | 0.963 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -15.7 | 109 | 166.8 | -82.7 | -41.6 | 0 | 0 | 0 | 115.3 | ||
| 113 | G | 56 | Low | 54.4 | Low | 74 Ų | 74 | 145.9 Ų | 145.9 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | -168.7 | 97.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | R111 E115 | R111-G113 PolarHBondContact O-N 3.05Å; G113-E115 PolarHBondContact O-N 3.31Å | ||
| 114 | G | 64.1 | Low | 53.8 | Low | 86 Ų | 86 | 150.6 Ų | 150.6 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | -69.8 | 127.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 115 | E | 55.4 | Low | 53.3 | Low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -150.1 | 131.3 | 141.8 | -162.6 | 168.9 | 174.5 | 0 | 0 | 109.1 | G113 V117 | G113-E115 PolarHBondContact O-N 3.31Å; E115-V117 PolarHBondContact O-N 2.86Å | ||
| 116 | R | 63.6 | Low | 52.6 | Low | 239 Ų | 239 | 144.9 Ų | 144.9 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | -80.9 | 87.3 | -169.2 | -58.6 | 166.2 | 94.8 | 149.6 | 4.6 | 109 | T118 | R116-T118 PolarHBondContact O-N 3.35Å; R116-T118 VanDerWaalsContact O-N 3.09Å | ||
| 117 | V | 60.9 | Low | 52.3 | Low | 132 Ų | 132 | 148.1 Ų | 148.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -79.3 | 93.5 | 167.7 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | E115 Y119 | E115-V117 PolarHBondContact O-N 2.86Å; V117-Y119 PolarHBondContact O-N 3.45Å | ||
| 118 | T | 59.1 | Low | 52 | Low | 113 Ų | 113 | 147.3 Ų | 147.3 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | trans | -67.6 | 93 | 168.7 | -51.8 | 0 | 0 | 0 | 0 | 108.4 | R116 M120 | R116-T118 PolarHBondContact O-N 3.35Å; R116-T118 VanDerWaalsContact O-N 3.09Å; T118-M120 HydrophobicContact CG2-CG 4.26Å; T118-M120 PolarHBondContact O-N 3.09Å; T118-M120 VanDerWaalsContact O-N 3.13Å | ||
| 119 | Y | 51 | Low | 51.9 | Low | 187 Ų | 187 | 147 Ų | 147 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -70.5 | 105 | 167.1 | -175 | -100.5 | 0 | 0 | 0 | 108 | V117 P121 | V117-Y119 PolarHBondContact O-N 3.45Å; Y119-P121 HydrophobicContact CD1-CG 3.97Å; Y119-P121 HydrophobicContact CE1-CB 4.03Å; Y119-P121 HydrophobicContact CE1-CG 3.94Å; Y119-P121 VanDerWaalsContact O-CD 3.31Å; Y119-P121 WeakPolarHBondContact O-CD 3.13Å | ||
| 120 | M | 56.8 | Low | 51.2 | Low | 150 Ų | 150 | 143.9 Ų | 143.9 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | -84.7 | 109.4 | 165.6 | -69.9 | -117.4 | 75.6 | 0 | 0 | 107.3 | T118 T122 | T118-M120 HydrophobicContact CG2-CG 4.26Å; T118-M120 PolarHBondContact O-N 3.09Å; T118-M120 VanDerWaalsContact O-N 3.13Å; M120-T122 PolarHBondContact O-N 2.88Å; M120-T122 VanDerWaalsContact O-N 3.09Å | ||
| 121 | P | 45.1 | Very low | 50.9 | Low | 91 Ų | 91 | 145 Ų | 145 | 59% | 0.591 | 77% | 0.767 | S | S | * | * | trans | -64.2 | 117 | 170.6 | -12.9 | 28.6 | 0 | 0 | 0 | 107 | Y119 H123 | Y119-P121 HydrophobicContact CD1-CG 3.97Å; Y119-P121 HydrophobicContact CE1-CB 4.03Å; Y119-P121 HydrophobicContact CE1-CG 3.94Å; Y119-P121 VanDerWaalsContact O-CD 3.31Å; Y119-P121 WeakPolarHBondContact O-CD 3.13Å; P121-H123 PolarHBondContact O-N 3.45Å | ||
| 122 | T | 48.5 | Very low | 50.4 | Low | 133 Ų | 133 | 139.6 Ų | 139.6 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -49.9 | 117.2 | 173 | 46.6 | 0 | 0 | 0 | 0 | 109.2 | M120 Y124 | M120-T122 PolarHBondContact O-N 2.88Å; M120-T122 VanDerWaalsContact O-N 3.09Å; T122-Y124 PolarHBondContact O-N 3.06Å | ||
| 123 | H | 48.2 | Very low | 49.9 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -28.1 | 102.4 | 170.8 | -165.2 | -109.4 | 0 | 0 | 0 | 113 | P121 E125 | P121-H123 PolarHBondContact O-N 3.45Å; H123-E125 IonicContact CE1-OE2 3.18Å; H123-E125 PolarHBondContact CE1-OE2 3.36Å; H123-E125 IonicContact ND1-OE2 3.57Å | ||
| 124 | Y | 39.2 | Very low | 49.2 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | trans | -88.4 | 100.9 | 160.1 | -171.4 | -107.4 | 0 | 0 | 0 | 106.7 | T122 N126 | T122-Y124 PolarHBondContact O-N 3.06Å; Y124-N126 VanDerWaalsContact C-N 3.34Å; Y124-N126 HydrophobicContact CD1-CB 3.82Å; Y124-N126 HydrophobicContact CE1-CB 3.74Å; Y124-N126 WeakPolarHBondContact CE1-ND2 3.46Å; Y124-N126 PolarHBondContact O-N 2.95Å | ||
| 125 | E | 45.4 | Very low | 48.2 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | trans | -69.8 | 93.1 | 175.2 | -163 | 161.2 | 140.5 | 0 | 0 | 108.5 | H123 | H123-E125 IonicContact CE1-OE2 3.18Å; H123-E125 PolarHBondContact CE1-OE2 3.36Å; H123-E125 IonicContact ND1-OE2 3.57Å | ||
| 126 | N | 40.4 | Very low | 47.7 | Very low | 90 Ų | 90 | 140 Ų | 140 | 48% | 0.481 | 76% | 0.757 | S | S | . | * | trans | -116.7 | 77.2 | 165.3 | -138.6 | -80.8 | 0 | 0 | 0 | 108.5 | Y124 A128 | Y124-N126 VanDerWaalsContact C-N 3.34Å; Y124-N126 HydrophobicContact CD1-CB 3.82Å; Y124-N126 HydrophobicContact CE1-CB 3.74Å; Y124-N126 WeakPolarHBondContact CE1-ND2 3.46Å; Y124-N126 PolarHBondContact O-N 2.95Å; N126-A128 PolarHBondContact O-N 3.18Å | ||
| 127 | Q | 46.9 | Very low | 46.6 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 38.4 | -178.8 | -168.6 | 128 | 21.8 | 0 | 0 | 113.2 | ||
| 128 | A | 46.4 | Very low | 45.5 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | -3.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N126 | N126-A128 PolarHBondContact O-N 3.18Š|
| 129 | L | 49.2 | Very low | 44.4 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -134.2 | 8.9 | -175.4 | -77.3 | 170.2 | 0 | 0 | 0 | 116.3 | M131 | L129-M131 PolarHBondContact O-N 2.89Å; L129-M131 VanDerWaalsContact O-N 3.1Å |
| 130 | A | 40 | Very low | 43.8 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -86.3 | 75.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 131 | M | 47.2 | Very low | 42.9 | Very low | 167 Ų | 167 | 135 Ų | 135 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | trans | -75.5 | 127.3 | 160.8 | -72.8 | -65.5 | -74.4 | 0 | 0 | 108.7 | L129 L133 | L129-M131 PolarHBondContact O-N 2.89Å; L129-M131 VanDerWaalsContact O-N 3.1Å; M131-L133 PolarHBondContact O-N 3.1Å; M131-L133 VanDerWaalsContact O-N 3.17Å | ||
| 132 | P | 42.1 | Very low | 42.5 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -74.3 | 109.9 | -178.8 | 20 | -18.4 | 0 | 0 | 0 | 110.5 | ||||
| 133 | L | 43.2 | Very low | 41.9 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 127.4 | 161.7 | -75.2 | 169.2 | 0 | 0 | 0 | 108.6 | M131 A135 | M131-L133 PolarHBondContact O-N 3.1Å; M131-L133 VanDerWaalsContact O-N 3.17Å; L133-A135 PolarHBondContact O-N 3.17Å |
| 134 | P | 41.3 | Very low | 41.3 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 124.9 | -179.8 | 25.7 | -30.4 | 0 | 0 | 0 | 110.9 | ||
| 135 | A | 42.5 | Very low | 41.5 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 130.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L133 | L133-A135 PolarHBondContact O-N 3.17Š|
| 136 | V | 43.7 | Very low | 41.2 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.6 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 137 | R | 42 | Very low | 41 | Very low | 252 Ų | 252 | 143.9 Ų | 143.9 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -101.4 | 105.5 | 160.5 | -95.9 | -173.4 | 174.4 | 121.9 | -2.7 | 109.5 | ||||
| 138 | G | 37.7 | Very low | 40.8 | Very low | 67 Ų | 67 | 147 Ų | 147 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | -100.8 | 155.3 | 146.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 139 | S | 36.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | cis | -170.3 | 159.6 | 23.1 | -162.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 140 | L | 38 | Very low | 41.3 | Very low | 145 Ų | 145 | 146 Ų | 146 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | 87.8 | 113.4 | 152.8 | -53.3 | -168.4 | 0 | 0 | 0 | 122.7 | ||||
| 141 | L | 38 | Very low | 41.6 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | 77 | 102.6 | 127.4 | -72.5 | 169.3 | 0 | 0 | 0 | 120.7 | |||||
| 142 | R | 35.5 | Very low | 41.7 | Very low | 218 Ų | 218 | 149.8 Ų | 149.8 | 82% | 0.823 | 81% | 0.807 | S | S | * | * | 71.2 | 103 | 119.2 | -157.7 | -173.8 | 178.1 | -142.6 | -5.6 | 116.8 | |||||
| 143 | D | 36.9 | Very low | 42 | Very low | 156 Ų | 156 | 153.9 Ų | 153.9 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | -150.8 | 153.7 | 116.8 | -127.6 | -36.4 | 0 | 0 | 0 | 113.6 | |||||
| 144 | S | 35.4 | Very low | 42.3 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | trans | -93.7 | 125.1 | -161.1 | 157.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 145 | Q | 44.2 | Very low | 42.2 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -155.8 | 101.2 | 143.5 | -73.5 | -152 | -15.3 | 0 | 0 | 110.1 | ||||
| 146 | R | 38.1 | Very low | 42.7 | Very low | 248 Ų | 248 | 152.2 Ų | 152.2 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | 36.7 | 109 | 99.4 | -88.2 | -168.2 | -178.5 | -169 | 1.8 | 114.8 | |||||
| 147 | G | 37.3 | Very low | 43.1 | Very low | 84 Ų | 84 | 155.6 Ų | 155.6 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | 179.4 | 117.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 148 | R | 41.9 | Very low | 43.9 | Very low | 239 Ų | 239 | 148.5 Ų | 148.5 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -78.9 | 158.7 | -169 | -168.8 | 174.9 | -152.8 | -159.5 | 2.5 | 113.5 | ||||
| 149 | P | 54.1 | Low | 44.7 | Very low | 112 Ų | 112 | 152.4 Ų | 152.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -77.1 | 165 | 175.3 | 34.4 | -37.8 | 0 | 0 | 0 | 112.5 | ||||
| 150 | P | 51.1 | Low | 45.6 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | -148 | 159.3 | 107.8 | 36.8 | -19.7 | 0 | 0 | 0 | 116 | F152 | P150-F152 HydrophobicContact CG-CE2 4.3Š| |||
| 151 | D | 46.4 | Very low | 46.6 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -56.3 | 136.6 | 167.4 | -53.1 | -70.9 | 0 | 0 | 0 | 112.6 | ||||
| 152 | F | 51 | Low | 47.2 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -140.2 | 111.5 | 154.2 | -86.8 | -78.3 | 0 | 0 | 0 | 111 | P150 | P150-F152 HydrophobicContact CG-CE2 4.3Š| ||
| 153 | Y | 47.5 | Very low | 47.6 | Very low | 207 Ų | 207 | 154 Ų | 154 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -77.4 | 119.3 | 169.8 | -164.5 | -90.8 | 0 | 0 | 0 | 108.5 | N155 | Y153-N155 HydrophobicContact CE1-CB 4.17Š| ||
| 154 | T | 50.5 | Low | 48.1 | Very low | 118 Ų | 118 | 153.9 Ų | 153.9 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | trans | -138.3 | 97.4 | 162.1 | -38.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 155 | N | 37.7 | Very low | 48.8 | Very low | 110 Ų | 110 | 157.3 Ų | 157.3 | 59% | 0.588 | 83% | 0.827 | S | S | * | * | trans | -72.6 | 118.8 | 160.6 | -175.1 | -59.7 | 0 | 0 | 0 | 108.1 | Y153 | Y153-N155 HydrophobicContact CE1-CB 4.17Š| ||
| 156 | T | 53.5 | Low | 49 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | trans | -137.4 | 105.3 | 159.6 | -44.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 157 | R | 52.9 | Low | 49.7 | Very low | 213 Ų | 213 | 150.3 Ų | 150.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -54.3 | 134.7 | 165.9 | -65.5 | 176.3 | 175.8 | -176.1 | -2.5 | 110.6 | ||||
| 158 | A | 57.5 | Low | 50.4 | Low | 102 Ų | 102 | 154.4 Ų | 154.4 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -147.2 | 102 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 159 | I | 54 | Low | 51 | Low | 150 Ų | 150 | 148.8 Ų | 148.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -77.7 | 133.9 | 167.2 | -68.3 | 159.3 | 0 | 0 | 0 | 106.6 | T161 | I159-T161 HydrophobicContact CG2-CG2 4.05Š| ||
| 160 | S | 55.2 | Low | 50.8 | Low | 125 Ų | 125 | 151.4 Ų | 151.4 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -139.4 | 127.9 | 154.6 | -160.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 161 | T | 60 | Low | 50.8 | Low | 114 Ų | 114 | 155.2 Ų | 155.2 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | trans | -94.3 | 138.9 | -168.8 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | I159 | I159-T161 HydrophobicContact CG2-CG2 4.05Š| ||
| 162 | E | 51.5 | Low | 51.1 | Low | 194 Ų | 194 | 155.3 Ų | 155.3 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | -164.5 | 120 | 140 | -147.6 | 171.3 | 159.2 | 0 | 0 | 110.7 | ||||
| 163 | V | 42.2 | Very low | 51.1 | Low | 215 Ų | 215 | 152 Ų | 152 | 100% | 1.303 | 83% | 0.826 | S | S | * | * | trans | -127.8 | 0 | 157.3 | -179.1 | 0 | 0 | 0 | 0 | 105.1 |
Retrieved 163 of 163 residues in 421.5 ms
(Link to these results)