| 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 | 59.3 | Low | 80.7 | Confident | 236 Ų | 236 | 93.6 Ų | 93.6 | 100% | 1.163 | 60% | 0.596 | S | S | * | * | 0 | 86.7 | 0 | -67.4 | 167.2 | 92.8 | 0 | 0 | 108.2 | |||||
| 2 | T | 68.4 | Low | 81.9 | Confident | 115 Ų | 115 | 93.9 Ų | 93.9 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | trans | -156.4 | -22.4 | -177 | 44.2 | 0 | 0 | 0 | 0 | 114.3 | T5 | T2-T5 PolarHBondContact O-OG1 3.46Š| ||
| 3 | A | 70.6 | Confident | 82.9 | Confident | 79 Ų | 79 | 95.2 Ų | 95.2 | 65% | 0.653 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.4 | -35.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V7 | A3-V7 WeakPolarHBondContact O-CG2 3.03Å |
| 4 | G | 77.3 | Confident | 83.8 | Confident | 45 Ų | 45 | 92.7 Ų | 92.7 | 46% | 0.464 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.4 | -36 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | V7 I8 | G4-V7 PolarHBondContact O-N 3.28Å; G4-I8 VanDerWaalsContact O-CD1 3.3Å; G4-I8 WeakPolarHBondContact O-CD1 3.33Å; G4-I8 WeakPolarHBondContact O-CG1 3.43Å; G4-I8 PolarHBondContact O-N 2.97Å; G4-I8 VanDerWaalsContact O-N 3.08Å |
| 5 | T | 80.1 | Confident | 84.5 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 55% | 0.546 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.7 | -39.8 | -177 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | T2 V7 I8 T9 | T2-T5 PolarHBondContact O-OG1 3.46Å; T5-V7 VanDerWaalsContact C-N 3.33Å; T5-V7 PolarHBondContact O-N 3.32Å; T5-I8 PolarHBondContact O-N 3.35Å; T5-T9 WeakPolarHBondContact O-CB 2.94Å; T5-T9 WeakPolarHBondContact O-CG2 2.99Å; T5-T9 PolarHBondContact O-N 2.84Å; T5-T9 PolarHBondContact O-OG1 2.85Å |
| 6 | V | 84.9 | Confident | 85.3 | Confident | 100 Ų | 100 | 91.1 Ų | 91.1 | 61% | 0.606 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.1 | -38.4 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | T9 G10 | V6-T9 WeakPolarHBondContact CA-OG1 3.02Å; V6-T9 PolarHBondContact O-OG1 3.04Å; V6-G10 WeakPolarHBondContact O-CA 3.39Å; V6-G10 PolarHBondContact O-N 3.34Å |
| 7 | V | 87.3 | Confident | 85.9 | Confident | 109 Ų | 109 | 91.8 Ų | 91.8 | 66% | 0.661 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.2 | -42.5 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | A3 G4 T5 G11 | A3-V7 WeakPolarHBondContact O-CG2 3.03Å; G4-V7 PolarHBondContact O-N 3.28Å; T5-V7 VanDerWaalsContact C-N 3.33Å; T5-V7 PolarHBondContact O-N 3.32Å; V7-G11 PolarHBondContact O-N 3.25Å |
| 8 | I | 88.5 | Confident | 86.4 | Confident | 110 Ų | 110 | 92.3 Ų | 92.3 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66 | -49.4 | 178.6 | -65.4 | 162.4 | 0 | 0 | 0 | 110.4 | G4 T5 G11 I12 | G4-I8 VanDerWaalsContact O-CD1 3.3Å; G4-I8 WeakPolarHBondContact O-CD1 3.33Å; G4-I8 WeakPolarHBondContact O-CG1 3.43Å; G4-I8 PolarHBondContact O-N 2.97Å; G4-I8 VanDerWaalsContact O-N 3.08Å; T5-I8 PolarHBondContact O-N 3.35Å; I8-G11 PolarHBondContact O-N 2.89Å; I8-I12 HydrophobicContact CG2-CD1 3.97Å; I8-I12 WeakPolarHBondContact O-CD1 3.29Å; I8-I12 VanDerWaalsContact O-CG1 3.24Å; I8-I12 WeakPolarHBondContact O-CG1 3.13Å; I8-I12 PolarHBondContact O-N 2.87Å |
| 9 | T | 88.8 | Confident | 86.9 | Confident | 78 Ų | 78 | 93.5 Ų | 93.5 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.1 | -40.6 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 112 | T5 V6 I12 L13 | T5-T9 WeakPolarHBondContact O-CB 2.94Å; T5-T9 WeakPolarHBondContact O-CG2 2.99Å; T5-T9 PolarHBondContact O-N 2.84Å; T5-T9 PolarHBondContact O-OG1 2.85Å; V6-T9 WeakPolarHBondContact CA-OG1 3.02Å; V6-T9 PolarHBondContact O-OG1 3.04Å; T9-I12 PolarHBondContact O-N 3.42Å; T9-L13 VanDerWaalsContact O-CG 3.29Å; T9-L13 WeakPolarHBondContact O-CG 2.87Å; T9-L13 PolarHBondContact O-N 3.19Å |
| 10 | G | 90.4 | Very high | 87.2 | Confident | 34 Ų | 34 | 92.7 Ų | 92.7 | 35% | 0.351 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.4 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V6 L13 A14 | V6-G10 WeakPolarHBondContact O-CA 3.39Å; V6-G10 PolarHBondContact O-N 3.34Å; G10-L13 PolarHBondContact O-N 2.95Å; G10-A14 VanDerWaalsContact O-CB 3.31Å; G10-A14 WeakPolarHBondContact O-CB 3.38Å; G10-A14 PolarHBondContact O-N 3.24Å |
| 11 | G | 92.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 92.5 Ų | 92.5 | 36% | 0.361 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.8 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V7 I8 A14 T15 | V7-G11 PolarHBondContact O-N 3.25Å; I8-G11 PolarHBondContact O-N 2.89Å; G11-A14 PolarHBondContact O-N 3.16Å; G11-T15 WeakPolarHBondContact O-CG2 3.36Å; G11-T15 PolarHBondContact O-N 2.93Å; G11-T15 PolarHBondContact O-OG1 3.13Å |
| 12 | I | 95.3 | Very high | 89.2 | Confident | 97 Ų | 97 | 85.7 Ų | 85.7 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.9 | -64.4 | 161.8 | 0 | 0 | 0 | 110.9 | I8 T9 A14 T15 V16 | I8-I12 HydrophobicContact CG2-CD1 3.97Å; I8-I12 WeakPolarHBondContact O-CD1 3.29Å; I8-I12 VanDerWaalsContact O-CG1 3.24Å; I8-I12 WeakPolarHBondContact O-CG1 3.13Å; I8-I12 PolarHBondContact O-N 2.87Å; T9-I12 PolarHBondContact O-N 3.42Å; I12-A14 VanDerWaalsContact C-N 3.34Å; I12-A14 PolarHBondContact O-N 2.76Å; I12-T15 WeakPolarHBondContact CA-OG1 3.26Å; I12-T15 PolarHBondContact O-N 2.92Å; I12-T15 PolarHBondContact O-OG1 2.73Å; I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CB 3.19Å; I12-V16 WeakPolarHBondContact O-CG2 2.99Å; I12-V16 PolarHBondContact O-N 2.68Å |
| 13 | L | 94.5 | Very high | 90.1 | Very high | 111 Ų | 111 | 83 Ų | 83 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -42.8 | 176.5 | -70 | 171.2 | 0 | 0 | 0 | 111.2 | T9 G10 T15 V16 I17 | T9-L13 VanDerWaalsContact O-CG 3.29Å; T9-L13 WeakPolarHBondContact O-CG 2.87Å; T9-L13 PolarHBondContact O-N 3.19Å; G10-L13 PolarHBondContact O-N 2.95Å; L13-T15 PolarHBondContact O-N 2.99Å; L13-V16 PolarHBondContact O-N 3.09Å; L13-I17 WeakPolarHBondContact O-CB 3.22Å; L13-I17 WeakPolarHBondContact O-CD1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.1Å |
| 14 | A | 95.1 | Very high | 91 | Very high | 60 Ų | 60 | 82.9 Ų | 82.9 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G10 G11 I12 I17 L18 | G10-A14 VanDerWaalsContact O-CB 3.31Å; G10-A14 WeakPolarHBondContact O-CB 3.38Å; G10-A14 PolarHBondContact O-N 3.24Å; G11-A14 PolarHBondContact O-N 3.16Å; I12-A14 VanDerWaalsContact C-N 3.34Å; I12-A14 PolarHBondContact O-N 2.76Å; A14-I17 PolarHBondContact O-N 3.02Å; A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 PolarHBondContact O-N 3.36Å |
| 15 | T | 95.3 | Very high | 91.4 | Very high | 76 Ų | 76 | 85.9 Ų | 85.9 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 177.9 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | G11 I12 L13 L18 L19 | G11-T15 WeakPolarHBondContact O-CG2 3.36Å; G11-T15 PolarHBondContact O-N 2.93Å; G11-T15 PolarHBondContact O-OG1 3.13Å; I12-T15 WeakPolarHBondContact CA-OG1 3.26Å; I12-T15 PolarHBondContact O-N 2.92Å; I12-T15 PolarHBondContact O-OG1 2.73Å; L13-T15 PolarHBondContact O-N 2.99Å; T15-L18 PolarHBondContact O-N 3.32Å; T15-L19 WeakPolarHBondContact O-CB 3.2Å; T15-L19 VanDerWaalsContact O-CG 3.27Å; T15-L19 WeakPolarHBondContact O-CG 3.17Å; T15-L19 PolarHBondContact O-N 2.9Å |
| 16 | V | 96.9 | Very high | 91.7 | Very high | 84 Ų | 84 | 85.4 Ų | 85.4 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | I12 L13 L19 C20 | I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CB 3.19Å; I12-V16 WeakPolarHBondContact O-CG2 2.99Å; I12-V16 PolarHBondContact O-N 2.68Å; L13-V16 PolarHBondContact O-N 3.09Å; V16-L19 PolarHBondContact O-N 3.19Å; V16-C20 VanDerWaalsContact O-CB 3.27Å; V16-C20 WeakPolarHBondContact O-CB 3.1Å; V16-C20 PolarHBondContact O-N 3.16Å |
| 17 | I | 95.8 | Very high | 91.5 | Very high | 102 Ų | 102 | 86.7 Ų | 86.7 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.8 | -67.3 | 163.1 | 0 | 0 | 0 | 110.4 | L13 A14 C20 I21 | L13-I17 WeakPolarHBondContact O-CB 3.22Å; L13-I17 WeakPolarHBondContact O-CD1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.1Å; A14-I17 PolarHBondContact O-N 3.02Å; I17-C20 WeakPolarHBondContact O-CB 3.08Å; I17-C20 PolarHBondContact O-N 2.98Å; I17-I21 HydrophobicContact CG2-CD1 3.92Å; I17-I21 WeakPolarHBondContact O-CG1 3.45Å; I17-I21 PolarHBondContact O-N 3.24Å |
| 18 | L | 94.9 | Very high | 91 | Very high | 102 Ų | 102 | 84.6 Ų | 84.6 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 178.3 | -178.2 | 66.9 | 0 | 0 | 0 | 111.7 | A14 T15 C20 I21 I22 | A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 PolarHBondContact O-N 3.36Å; T15-L18 PolarHBondContact O-N 3.32Å; L18-C20 VanDerWaalsContact C-N 3.3Å; L18-C20 PolarHBondContact O-N 3.15Å; L18-I21 PolarHBondContact O-N 3.1Å; L18-I22 HydrophobicContact CD1-CD1 4.22Å; L18-I22 HydrophobicContact CG-CD1 3.92Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.46Å; L18-I22 PolarHBondContact O-N 3.25Å |
| 19 | L | 94.7 | Very high | 90.6 | Very high | 115 Ų | 115 | 86.2 Ų | 86.2 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -38.4 | 176.7 | -73.6 | 174 | 0 | 0 | 0 | 111.7 | T15 V16 I22 A23 | T15-L19 WeakPolarHBondContact O-CB 3.2Å; T15-L19 VanDerWaalsContact O-CG 3.27Å; T15-L19 WeakPolarHBondContact O-CG 3.17Å; T15-L19 PolarHBondContact O-N 2.9Å; V16-L19 PolarHBondContact O-N 3.19Å; L19-I22 PolarHBondContact O-N 2.67Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 2.72Å |
| 20 | C | 94.5 | Very high | 89.6 | Confident | 76 Ų | 76 | 87.2 Ų | 87.2 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 175.3 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | V16 I17 L18 A23 V24 | V16-C20 VanDerWaalsContact O-CB 3.27Å; V16-C20 WeakPolarHBondContact O-CB 3.1Å; V16-C20 PolarHBondContact O-N 3.16Å; I17-C20 WeakPolarHBondContact O-CB 3.08Å; I17-C20 PolarHBondContact O-N 2.98Å; L18-C20 VanDerWaalsContact C-N 3.3Å; L18-C20 PolarHBondContact O-N 3.15Å; C20-A23 PolarHBondContact O-N 3.17Å; C20-V24 WeakPolarHBondContact O-CB 3.27Å; C20-V24 VanDerWaalsContact O-CG2 3.27Å; C20-V24 WeakPolarHBondContact O-CG2 3.11Å; C20-V24 PolarHBondContact O-N 3.16Å |
| 21 | I | 94.2 | Very high | 88.2 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 176.4 | -65.3 | 166.1 | 0 | 0 | 0 | 110.6 | I17 L18 A23 V24 L25 | I17-I21 HydrophobicContact CG2-CD1 3.92Å; I17-I21 WeakPolarHBondContact O-CG1 3.45Å; I17-I21 PolarHBondContact O-N 3.24Å; L18-I21 PolarHBondContact O-N 3.1Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-A23 PolarHBondContact O-N 3.45Å; I21-V24 PolarHBondContact O-N 3.41Å; I21-L25 HydrophobicContact CG2-CD1 3.76Å; I21-L25 HydrophobicContact CG2-CG 4.19Å; I21-L25 WeakPolarHBondContact O-CB 2.83Å; I21-L25 VanDerWaalsContact O-CG 3.24Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 2.72Å |
| 22 | I | 94.2 | Very high | 86.8 | Confident | 94 Ų | 94 | 92.3 Ų | 92.3 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 178 | -66.5 | 167.8 | 0 | 0 | 0 | 110.7 | L18 L19 L25 C26 | L18-I22 HydrophobicContact CD1-CD1 4.22Å; L18-I22 HydrophobicContact CG-CD1 3.92Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.46Å; L18-I22 PolarHBondContact O-N 3.25Å; L19-I22 PolarHBondContact O-N 2.67Å; I22-L25 PolarHBondContact O-N 2.88Å; I22-C26 WeakPolarHBondContact O-CB 3.45Å; I22-C26 PolarHBondContact O-N 3.39Å |
| 23 | A | 87.2 | Confident | 84.9 | Confident | 58 Ų | 58 | 93.7 Ų | 93.7 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L19 C20 I21 Y27 | L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 2.72Å; C20-A23 PolarHBondContact O-N 3.17Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-A23 PolarHBondContact O-N 3.45Å; A23-Y27 WeakPolarHBondContact O-CB 3.44Å; A23-Y27 PolarHBondContact O-N 2.87Å |
| 24 | V | 88.6 | Confident | 83.2 | Confident | 76 Ų | 76 | 91.3 Ų | 91.3 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | C20 I21 C26 Y27 C28 | C20-V24 WeakPolarHBondContact O-CB 3.27Å; C20-V24 VanDerWaalsContact O-CG2 3.27Å; C20-V24 WeakPolarHBondContact O-CG2 3.11Å; C20-V24 PolarHBondContact O-N 3.16Å; I21-V24 PolarHBondContact O-N 3.41Å; V24-C26 PolarHBondContact O-N 3.22Å; V24-Y27 CarbonylContact O-C 3.5Å; V24-Y27 PolarHBondContact O-N 2.79Å; V24-C28 VanDerWaalsContact O-CB 3.29Å; V24-C28 WeakPolarHBondContact O-CB 3.43Å; V24-C28 PolarHBondContact O-N 2.72Å; V24-C28 PolarHBondContact O-SG 3.38Å |
| 25 | L | 85.8 | Confident | 81.1 | Confident | 108 Ų | 108 | 91.2 Ų | 91.2 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | 178.5 | -70.9 | 176.2 | 0 | 0 | 0 | 112.3 | I21 I22 R29 | I21-L25 HydrophobicContact CG2-CD1 3.76Å; I21-L25 HydrophobicContact CG2-CG 4.19Å; I21-L25 WeakPolarHBondContact O-CB 2.83Å; I21-L25 VanDerWaalsContact O-CG 3.24Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 2.72Å; I22-L25 PolarHBondContact O-N 2.88Å; L25-R29 VanDerWaalsContact O-CB 3.27Å; L25-R29 WeakPolarHBondContact O-CB 3.34Å; L25-R29 WeakPolarHBondContact O-CG 3.22Å; L25-R29 PolarHBondContact O-N 3.26Å |
| 26 | C | 86.3 | Confident | 78.9 | Confident | 80 Ų | 80 | 93.5 Ų | 93.5 | 54% | 0.541 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.7 | -176 | 0 | 0 | 0 | 0 | 110.4 | I22 V24 R29 L30 | I22-C26 WeakPolarHBondContact O-CB 3.45Å; I22-C26 PolarHBondContact O-N 3.39Å; V24-C26 PolarHBondContact O-N 3.22Å; C26-R29 PolarHBondContact O-N 2.9Å; C26-L30 VanDerWaalsContact O-CB 3.22Å; C26-L30 WeakPolarHBondContact O-CB 3.37Å; C26-L30 PolarHBondContact O-N 3.34Å |
| 27 | Y | 80.7 | Confident | 76.5 | Confident | 126 Ų | 126 | 94.3 Ų | 94.3 | 49% | 0.494 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 177.2 | -175.5 | -115.8 | 0 | 0 | 0 | 112.3 | A23 V24 L30 Q31 | A23-Y27 WeakPolarHBondContact O-CB 3.44Å; A23-Y27 PolarHBondContact O-N 2.87Å; V24-Y27 CarbonylContact O-C 3.5Å; V24-Y27 PolarHBondContact O-N 2.79Å; Y27-L30 PolarHBondContact O-N 2.79Å; Y27-Q31 HydrophobicContact CD1-CG 4.44Å; Y27-Q31 VanDerWaalsContact CD1-NE2 3.34Å; Y27-Q31 HydrophobicContact CD2-CG 4.48Å; Y27-Q31 HydrophobicContact CE1-CG 4.14Å; Y27-Q31 HydrophobicContact CE2-CG 4.12Å; Y27-Q31 VanDerWaalsContact CZ-NE2 3.3Å; Y27-Q31 VanDerWaalsContact O-CB 3.26Å; Y27-Q31 WeakPolarHBondContact O-CB 3.32Å; Y27-Q31 WeakPolarHBondContact O-CG 3.37Å; Y27-Q31 PolarHBondContact O-N 3.36Å |
| 28 | C | 77.2 | Confident | 74.2 | Confident | 66 Ų | 66 | 95.3 Ų | 95.3 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 173.7 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | V24 Y32 | V24-C28 VanDerWaalsContact O-CB 3.29Å; V24-C28 WeakPolarHBondContact O-CB 3.43Å; V24-C28 PolarHBondContact O-N 2.72Å; V24-C28 PolarHBondContact O-SG 3.38Å; C28-Y32 WeakPolarHBondContact O-CB 3.27Å; C28-Y32 PolarHBondContact O-N 3.49Å |
| 29 | R | 79.7 | Confident | 71.9 | Confident | 144 Ų | 144 | 93.7 Ų | 93.7 | 54% | 0.543 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -48.3 | 171.5 | -83.8 | -71.3 | -174.2 | 178.1 | -0.9 | 110.5 | L25 C26 Q31 Y32 Y33 | L25-R29 VanDerWaalsContact O-CB 3.27Å; L25-R29 WeakPolarHBondContact O-CB 3.34Å; L25-R29 WeakPolarHBondContact O-CG 3.22Å; L25-R29 PolarHBondContact O-N 3.26Å; C26-R29 PolarHBondContact O-N 2.9Å; R29-Q31 VanDerWaalsContact C-N 3.33Å; R29-Q31 PolarHBondContact O-N 2.76Å; R29-Y32 CarbonylContact O-C 3.57Å; R29-Y32 WeakPolarHBondContact O-CA 3.37Å; R29-Y32 WeakPolarHBondContact O-CB 3.24Å; R29-Y32 PolarHBondContact O-N 3.16Å; R29-Y32 VanDerWaalsContact O-N 3.12Å; R29-Y33 VanDerWaalsContact C-CD2 3.48Å; R29-Y33 HydrophobicContact CB-CD2 4.25Å; R29-Y33 HydrophobicContact CB-CE2 3.94Å; R29-Y33 HydrophobicContact CG-CE2 4.44Å; R29-Y33 WeakPolarHBondContact O-CD2 3.27Å; R29-Y33 PolarHBondContact O-N 2.79Å |
| 30 | L | 67.8 | Low | 69.5 | Low | 99 Ų | 99 | 92.7 Ų | 92.7 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 179.1 | -170.8 | 64.2 | 0 | 0 | 0 | 110.6 | C26 Y27 Y33 C34 | C26-L30 VanDerWaalsContact O-CB 3.22Å; C26-L30 WeakPolarHBondContact O-CB 3.37Å; C26-L30 PolarHBondContact O-N 3.34Å; Y27-L30 PolarHBondContact O-N 2.79Å; L30-Y33 CarbonylContact O-C 3.54Å; L30-Y33 PolarHBondContact O-N 2.74Å; L30-C34 VanDerWaalsContact O-CB 3.29Å; L30-C34 WeakPolarHBondContact O-CB 3.48Å; L30-C34 PolarHBondContact O-N 3.42Å; L30-C34 PolarHBondContact O-SG 2.85Å |
| 31 | Q | 61.8 | Low | 67.1 | Low | 48 Ų | 48 | 94.2 Ų | 94.2 | 22% | 0.224 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 170.9 | -79.8 | -160.8 | 72.8 | 0 | 0 | 112 | Y27 R29 Y33 C34 C35 | Y27-Q31 HydrophobicContact CD1-CG 4.44Å; Y27-Q31 VanDerWaalsContact CD1-NE2 3.34Å; Y27-Q31 HydrophobicContact CD2-CG 4.48Å; Y27-Q31 HydrophobicContact CE1-CG 4.14Å; Y27-Q31 HydrophobicContact CE2-CG 4.12Å; Y27-Q31 VanDerWaalsContact CZ-NE2 3.3Å; Y27-Q31 VanDerWaalsContact O-CB 3.26Å; Y27-Q31 WeakPolarHBondContact O-CB 3.32Å; Y27-Q31 WeakPolarHBondContact O-CG 3.37Å; Y27-Q31 PolarHBondContact O-N 3.36Å; R29-Q31 VanDerWaalsContact C-N 3.33Å; R29-Q31 PolarHBondContact O-N 2.76Å; Q31-Y33 VanDerWaalsContact C-N 3.27Å; Q31-Y33 PolarHBondContact O-N 3.12Å; Q31-C34 PolarHBondContact O-N 3.35Å; Q31-C35 WeakPolarHBondContact O-CB 3.42Å; Q31-C35 PolarHBondContact O-N 3.4Å; Q31-C35 PolarHBondContact O-SG 2.97Å |
| 32 | Y | 62.3 | Low | 64.7 | Low | 128 Ų | 128 | 93.9 Ų | 93.9 | 50% | 0.502 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 173.5 | 176.1 | -99.8 | 0 | 0 | 0 | 111.5 | C28 R29 K36 | C28-Y32 WeakPolarHBondContact O-CB 3.27Å; C28-Y32 PolarHBondContact O-N 3.49Å; R29-Y32 CarbonylContact O-C 3.57Å; R29-Y32 WeakPolarHBondContact O-CA 3.37Å; R29-Y32 WeakPolarHBondContact O-CB 3.24Å; R29-Y32 PolarHBondContact O-N 3.16Å; R29-Y32 VanDerWaalsContact O-N 3.12Å; Y32-K36 HydrophobicContact CE1-CD 4.27Å; Y32-K36 WeakPolarHBondContact O-CB 3.49Å; Y32-K36 PolarHBondContact O-N 3.24Å |
| 33 | Y | 55.1 | Low | 62.2 | Low | 126 Ų | 126 | 96 Ų | 96 | 49% | 0.494 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.5 | -37.7 | 174.5 | -68.1 | -62.4 | 0 | 0 | 0 | 112 | R29 L30 Q31 K37 | R29-Y33 VanDerWaalsContact C-CD2 3.48Å; R29-Y33 HydrophobicContact CB-CD2 4.25Å; R29-Y33 HydrophobicContact CB-CE2 3.94Å; R29-Y33 HydrophobicContact CG-CE2 4.44Å; R29-Y33 WeakPolarHBondContact O-CD2 3.27Å; R29-Y33 PolarHBondContact O-N 2.79Å; L30-Y33 CarbonylContact O-C 3.54Å; L30-Y33 PolarHBondContact O-N 2.74Å; Q31-Y33 VanDerWaalsContact C-N 3.27Å; Q31-Y33 PolarHBondContact O-N 3.12Å; Y33-K37 WeakPolarHBondContact O-CA 3.43Å; Y33-K37 WeakPolarHBondContact O-CB 2.94Å; Y33-K37 PolarHBondContact O-N 2.83Å |
| 34 | C | 58.9 | Low | 60.1 | Low | 60 Ų | 60 | 98.8 Ų | 98.8 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -55.9 | 175 | -72 | 0 | 0 | 0 | 0 | 109.3 | L30 Q31 K36 K37 N38 | L30-C34 VanDerWaalsContact O-CB 3.29Å; L30-C34 WeakPolarHBondContact O-CB 3.48Å; L30-C34 PolarHBondContact O-N 3.42Å; L30-C34 PolarHBondContact O-SG 2.85Å; Q31-C34 PolarHBondContact O-N 3.35Å; C34-K36 VanDerWaalsContact C-N 3.34Å; C34-K36 PolarHBondContact O-N 2.91Å; C34-K37 PolarHBondContact O-N 3.16Å; C34-K37 VanDerWaalsContact O-N 3.16Å; C34-N38 PolarHBondContact O-N 3.44Å; C34-N38 PolarHBondContact O-ND2 2.94Å; C34-N38 PolarHBondContact O-OD1 3.5Å |
| 35 | C | 51.7 | Low | 57.3 | Low | 59 Ų | 59 | 100.2 Ų | 100.2 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.5 | -35.1 | 177.6 | -65.1 | 0 | 0 | 0 | 0 | 113.5 | Q31 N38 G39 | Q31-C35 WeakPolarHBondContact O-CB 3.42Å; Q31-C35 PolarHBondContact O-N 3.4Å; Q31-C35 PolarHBondContact O-SG 2.97Å; C35-N38 VanDerWaalsContact C-OD1 3.25Å; C35-N38 WeakPolarHBondContact CA-OD1 3.43Å; C35-N38 PolarHBondContact O-OD1 2.95Å; C35-N38 VanDerWaalsContact O-OD1 3.09Å; C35-G39 PolarHBondContact O-N 3.46Å |
| 36 | K | 49.2 | Very low | 55.4 | Low | 124 Ų | 124 | 100.2 Ų | 100.2 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.3 | -38.5 | 173.5 | -179.6 | 169.5 | 175.6 | 171.8 | 0 | 111.8 | Y32 C34 G39 S40 | Y32-K36 HydrophobicContact CE1-CD 4.27Å; Y32-K36 WeakPolarHBondContact O-CB 3.49Å; Y32-K36 PolarHBondContact O-N 3.24Å; C34-K36 VanDerWaalsContact C-N 3.34Å; C34-K36 PolarHBondContact O-N 2.91Å; K36-G39 CarbonylContact O-C 3.53Å; K36-G39 PolarHBondContact O-N 3.46Å; K36-S40 WeakPolarHBondContact O-CB 3.29Å; K36-S40 PolarHBondContact O-N 3.28Å; K36-S40 VanDerWaalsContact O-N 3.1Å |
| 37 | K | 45.2 | Very low | 53.3 | Low | 101 Ų | 101 | 102.7 Ų | 102.7 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.2 | -44.4 | -178.8 | 175 | 167.2 | 178.1 | -174.4 | 0 | 111 | Y33 C34 G39 S40 E41 | Y33-K37 WeakPolarHBondContact O-CA 3.43Å; Y33-K37 WeakPolarHBondContact O-CB 2.94Å; Y33-K37 PolarHBondContact O-N 2.83Å; C34-K37 PolarHBondContact O-N 3.16Å; C34-K37 VanDerWaalsContact O-N 3.16Å; K37-G39 PolarHBondContact O-N 2.82Å; K37-S40 PolarHBondContact O-N 3.34Å; K37-E41 WeakPolarHBondContact CE-OE1 3.38Å; K37-E41 WeakPolarHBondContact CE-OE2 3.17Å; K37-E41 VanDerWaalsContact CG-CD 3.46Å; K37-E41 WeakPolarHBondContact CG-OE1 3.5Å; K37-E41 IonicContact NZ-OE2 3.94Å; K37-E41 WeakPolarHBondContact O-CG 3.24Å; K37-E41 PolarHBondContact O-N 2.88Å; K37-E41 VanDerWaalsContact O-N 3.16Å |
| 38 | N | 48.3 | Very low | 51.5 | Low | 122 Ų | 122 | 103 Ų | 103 | 65% | 0.652 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -6.9 | 172.6 | 45.2 | 33.3 | 0 | 0 | 0 | 114.5 | C34 C35 | C34-N38 PolarHBondContact O-N 3.44Å; C34-N38 PolarHBondContact O-ND2 2.94Å; C34-N38 PolarHBondContact O-OD1 3.5Å; C35-N38 VanDerWaalsContact C-OD1 3.25Å; C35-N38 WeakPolarHBondContact CA-OD1 3.43Å; C35-N38 PolarHBondContact O-OD1 2.95Å; C35-N38 VanDerWaalsContact O-OD1 3.09Å |
| 39 | G | 45.8 | Very low | 49.3 | Very low | 69 Ų | 69 | 107.2 Ų | 107.2 | 71% | 0.711 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -6.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C35 K36 K37 | C35-G39 PolarHBondContact O-N 3.46Å; K36-G39 CarbonylContact O-C 3.53Å; K36-G39 PolarHBondContact O-N 3.46Å; K37-G39 PolarHBondContact O-N 2.82Å |
| 40 | S | 46.1 | Very low | 47.4 | Very low | 93 Ų | 93 | 104.9 Ų | 104.9 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | -3.4 | -168.8 | -176 | 0 | 0 | 0 | 0 | 115.3 | K36 K37 | K36-S40 WeakPolarHBondContact O-CB 3.29Å; K36-S40 PolarHBondContact O-N 3.28Å; K36-S40 VanDerWaalsContact O-N 3.1Å; K37-S40 PolarHBondContact O-N 3.34Å |
| 41 | E | 42.8 | Very low | 46.2 | Very low | 109 Ų | 109 | 108.8 Ų | 108.8 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | trans | -123.2 | 59.5 | 178.5 | 72.6 | -160.7 | 161.9 | 0 | 0 | 111.8 | K37 D43 | K37-E41 WeakPolarHBondContact CE-OE1 3.38Å; K37-E41 WeakPolarHBondContact CE-OE2 3.17Å; K37-E41 VanDerWaalsContact CG-CD 3.46Å; K37-E41 WeakPolarHBondContact CG-OE1 3.5Å; K37-E41 IonicContact NZ-OE2 3.94Å; K37-E41 WeakPolarHBondContact O-CG 3.24Å; K37-E41 PolarHBondContact O-N 2.88Å; K37-E41 VanDerWaalsContact O-N 3.16Å; E41-D43 PolarHBondContact O-N 3.38Å; E41-D43 VanDerWaalsContact O-N 3.16Å | ||
| 42 | G | 44 | Very low | 45.3 | Very low | 81 Ų | 81 | 115.7 Ų | 115.7 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | trans | -78.3 | 71.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 43 | D | 42.7 | Very low | 44.3 | Very low | 138 Ų | 138 | 111.4 Ų | 111.4 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -173.4 | 125.3 | 140.2 | -119.9 | -15.3 | 0 | 0 | 0 | 113.7 | E41 | E41-D43 PolarHBondContact O-N 3.38Å; E41-D43 VanDerWaalsContact O-N 3.16Å |
| 44 | T | 41.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 107.2 Ų | 107.2 | 72% | 0.718 | 63% | 0.634 | S | S | * | * | trans | 73.5 | 128.5 | 153.3 | 65 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 45 | S | 31.6 | Very low | 43.3 | Very low | 106 Ų | 106 | 110.9 Ų | 110.9 | 74% | 0.741 | 65% | 0.649 | S | S | * | * | trans | 73.1 | 91 | 164 | 67.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 46 | S | 45.5 | Very low | 43.3 | Very low | 109 Ų | 109 | 111.8 Ų | 111.8 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | 51.7 | 127.2 | 83.7 | 79 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 47 | V | 42.1 | Very low | 43.2 | Very low | 131 Ų | 131 | 108.7 Ų | 108.7 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | trans | 96.6 | 95.1 | 162.8 | -169.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 48 | T | 43.3 | Very low | 43.4 | Very low | 134 Ų | 134 | 107.5 Ų | 107.5 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | trans | 81.3 | 89.3 | 152.5 | -26.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 49 | Q | 30.6 | Very low | 42.9 | Very low | 154 Ų | 154 | 105.4 Ų | 105.4 | 72% | 0.72 | 66% | 0.659 | S | S | * | * | trans | -138.3 | 139.5 | 157.5 | -110.3 | -161.6 | -41.5 | 0 | 0 | 111.3 | H51 | Q49-H51 PolarHBondContact O-N 2.88Š| ||
| 50 | P | 39.1 | Very low | 42.9 | Very low | 95 Ų | 95 | 108 Ų | 108 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | trans | -66.1 | 125 | -174.5 | 29 | -30.7 | 0 | 0 | 0 | 108 | F52 | P50-F52 HydrophobicContact CB-CD2 4.22Å; P50-F52 HydrophobicContact CB-CE2 4.25Å; P50-F52 HydrophobicContact CG-CD2 4.24Å; P50-F52 HydrophobicContact CG-CE2 4.38Å; P50-F52 PolarHBondContact O-N 3.44Å | ||
| 51 | H | 41.7 | Very low | 42.8 | Very low | 181 Ų | 181 | 106.9 Ų | 106.9 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | trans | -68 | 68 | -178.6 | -142.3 | -87.2 | 0 | 0 | 0 | 110 | Q49 A53 | Q49-H51 PolarHBondContact O-N 2.88Å; H51-A53 PolarHBondContact O-N 2.81Å | ||
| 52 | F | 43.2 | Very low | 42.9 | Very low | 192 Ų | 192 | 108.1 Ų | 108.1 | 84% | 0.842 | 68% | 0.68 | S | S | * | * | trans | -76.9 | 69.4 | 157.7 | -74.2 | -76.8 | 0 | 0 | 0 | 106.8 | P50 C54 | P50-F52 HydrophobicContact CB-CD2 4.22Å; P50-F52 HydrophobicContact CB-CE2 4.25Å; P50-F52 HydrophobicContact CG-CD2 4.24Å; P50-F52 HydrophobicContact CG-CE2 4.38Å; P50-F52 PolarHBondContact O-N 3.44Å; F52-C54 PolarHBondContact O-N 2.77Å | ||
| 53 | A | 42 | Very low | 42.8 | Very low | 38 Ų | 38 | 111.8 Ų | 111.8 | 31% | 0.314 | 68% | 0.681 | S | S | . | * | trans | -56.9 | 109.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | H51 N55 | H51-A53 PolarHBondContact O-N 2.81Å; A53-N55 WeakPolarHBondContact CB-OD1 3.46Å; A53-N55 PolarHBondContact O-N 2.91Å; A53-N55 PolarHBondContact O-OD1 3.12Å; A53-N55 VanDerWaalsContact O-OD1 3.13Å | ||
| 54 | C | 44.7 | Very low | 42.9 | Very low | 39 Ų | 39 | 108.5 Ų | 108.5 | 26% | 0.264 | 68% | 0.679 | S | S | . | * | trans | -68.3 | 89.4 | 163.3 | -171.5 | 0 | 0 | 0 | 0 | 106 | F52 A56 C57 S58 | F52-C54 PolarHBondContact O-N 2.77Å; C54-A56 PolarHBondContact O-N 3.07Å; C54-C57 PolarHBondContact O-N 2.63Å; C54-S58 PolarHBondContact O-N 3.17Å | ||
| 55 | N | 49.1 | Very low | 42.7 | Very low | 137 Ų | 137 | 109.5 Ų | 109.5 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -9.4 | -179 | -61.1 | -18.6 | 0 | 0 | 0 | 112.7 | A53 | A53-N55 WeakPolarHBondContact CB-OD1 3.46Å; A53-N55 PolarHBondContact O-N 2.91Å; A53-N55 PolarHBondContact O-OD1 3.12Å; A53-N55 VanDerWaalsContact O-OD1 3.13Å |
| 56 | A | 50 | Low | 43.3 | Very low | 78 Ų | 78 | 109 Ų | 109 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -20.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | C54 | C54-A56 PolarHBondContact O-N 3.07Š|
| 57 | C | 47.9 | Very low | 43 | Very low | 59 Ų | 59 | 110.2 Ų | 110.2 | 40% | 0.399 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.5 | -14.6 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | C54 A59 | C54-C57 PolarHBondContact O-N 2.63Å; C57-A59 PolarHBondContact O-N 2.91Å |
| 58 | S | 48.5 | Very low | 43 | Very low | 75 Ų | 75 | 110.1 Ų | 110.1 | 52% | 0.524 | 69% | 0.69 | S | S | . | * | trans | -86.9 | 83.7 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | C54 | C54-S58 PolarHBondContact O-N 3.17Š| ||
| 59 | A | 38.8 | Very low | 42.6 | Very low | 79 Ų | 79 | 109.3 Ų | 109.3 | 65% | 0.653 | 69% | 0.687 | S | S | * | * | trans | -60.7 | 131.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 107 | C57 G61 | C57-A59 PolarHBondContact O-N 2.91Å; A59-G61 VanDerWaalsContact C-N 3.32Å; A59-G61 PolarHBondContact O-N 2.83Å | ||
| 60 | P | 46.2 | Very low | 42.7 | Very low | 122 Ų | 122 | 109.4 Ų | 109.4 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | trans | -67.7 | 98.1 | 175.6 | 27.2 | -30.1 | 0 | 0 | 0 | 107.5 | V62 | P60-V62 PolarHBondContact O-N 3.27Š| ||
| 61 | G | 44.1 | Very low | 42.4 | Very low | 70 Ų | 70 | 110.1 Ų | 110.1 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | trans | -63.7 | 89.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | A59 D63 | A59-G61 VanDerWaalsContact C-N 3.32Å; A59-G61 PolarHBondContact O-N 2.83Å; G61-D63 PolarHBondContact O-N 3.05Å | ||
| 62 | V | 44.8 | Very low | 42.1 | Very low | 135 Ų | 135 | 109.6 Ų | 109.6 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -75.5 | 80.2 | 170.1 | 65.4 | 0 | 0 | 0 | 0 | 107.6 | P60 G64 | P60-V62 PolarHBondContact O-N 3.27Å; V62-G64 PolarHBondContact O-N 3.36Å | ||
| 63 | D | 42.3 | Very low | 41.6 | Very low | 159 Ų | 159 | 104.9 Ų | 104.9 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | trans | -67.5 | 119.9 | 161 | -87.8 | -36.8 | 0 | 0 | 0 | 107.8 | G61 T65 | G61-D63 PolarHBondContact O-N 3.05Å; D63-T65 PolarHBondContact O-N 2.96Å | ||
| 64 | G | 44 | Very low | 41.7 | Very low | 68 Ų | 68 | 108.9 Ų | 108.9 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -61.6 | 123.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V62 | V62-G64 PolarHBondContact O-N 3.36Š| ||
| 65 | T | 37.5 | Very low | 41.1 | Very low | 138 Ų | 138 | 115.1 Ų | 115.1 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | -144.6 | 132.1 | 137.8 | -56.8 | 0 | 0 | 0 | 0 | 107.8 | D63 V67 | D63-T65 PolarHBondContact O-N 2.96Å; T65-V67 PolarHBondContact O-N 3.43Å | ||
| 66 | A | 44.3 | Very low | 40.5 | Very low | 96 Ų | 96 | 115.7 Ų | 115.7 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | trans | -45 | 118.3 | -167 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 67 | V | 38.7 | Very low | 40.1 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -155.1 | 111.7 | 132.6 | -105.9 | 0 | 0 | 0 | 0 | 108.9 | T65 P69 | T65-V67 PolarHBondContact O-N 3.43Å; V67-P69 WeakPolarHBondContact O-CD 3.36Å | ||
| 68 | T | 41.4 | Very low | 39.8 | Very low | 129 Ų | 129 | 119 Ų | 119 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -40.2 | 134.6 | 168.3 | -26.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 69 | P | 36.1 | Very low | 39 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -115.4 | 141.7 | 134.4 | 33.4 | -26.6 | 0 | 0 | 0 | 109.3 | V67 S71 | V67-P69 WeakPolarHBondContact O-CD 3.36Å; P69-S71 PolarHBondContact O-N 3.49Å | ||
| 70 | L | 31.3 | Very low | 38.9 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -47.1 | 130 | -166.8 | -81.4 | 58.8 | 0 | 0 | 0 | 113.9 | ||||
| 71 | S | 34 | Very low | 38.2 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -51 | 128.2 | 158.4 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | P69 | P69-S71 PolarHBondContact O-N 3.49Š| ||
| 72 | L | 34.5 | Very low | 38.1 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -148.2 | 91.1 | 151.1 | -92.7 | 153.3 | 0 | 0 | 0 | 106.9 | ||||
| 73 | S | 33.5 | Very low | 37.7 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -80.2 | 159.2 | 162.4 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | E75 | S73-E75 PolarHBondContact OG-N 3.4Š| ||
| 74 | P | 44.4 | Very low | 37.6 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -134.1 | 135.5 | 110.3 | 14.7 | 6.3 | 0 | 0 | 0 | 115.2 | |||||
| 75 | E | 32.5 | Very low | 37.6 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | 54 | 103.5 | 148.1 | -80.3 | -167.3 | 98.5 | 0 | 0 | 123 | S73 | S73-E75 PolarHBondContact OG-N 3.4Š| ||
| 76 | L | 35.2 | Very low | 38 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | 28.5 | 154.3 | 118.6 | -82.6 | 106.7 | 0 | 0 | 0 | 122.5 | |||||
| 77 | P | 41.3 | Very low | 38 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | cis | -131.1 | 161.3 | 32.4 | 37.4 | -18.3 | 0 | 0 | 0 | 118 | ||||
| 78 | A | 42.3 | Very low | 38.2 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -64.4 | 140.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 79 | S | 32.8 | Very low | 38.4 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -138.4 | 105 | 148.2 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 80 | H | 36.4 | Very low | 39 | Very low | 181 Ų | 181 | 127 Ų | 127 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -23 | 124.9 | 167.6 | -65.8 | -102.5 | 0 | 0 | 0 | 116.5 | ||||
| 81 | A | 31.4 | Very low | 39.9 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -158.8 | 101.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | G83 | A81-G83 PolarHBondContact O-N 2.92Š| ||
| 82 | T | 42.1 | Very low | 40.6 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 96% | 0.957 | 73% | 0.729 | S | S | * | * | trans | -59 | 110.6 | 166.5 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 83 | G | 35.4 | Very low | 41 | Very low | 56 Ų | 56 | 118.9 Ų | 118.9 | 58% | 0.577 | 71% | 0.706 | S | S | * | * | trans | -161.3 | 147.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A81 | A81-G83 PolarHBondContact O-N 2.92Š| ||
| 84 | P | 41 | Very low | 41.7 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | trans | -59.6 | 143.7 | -178.1 | 24.8 | -32.4 | 0 | 0 | 0 | 110.3 | R86 | P84-R86 PolarHBondContact O-N 3.49Š| ||
| 85 | P | 44 | Very low | 41.7 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -63.2 | 104.6 | 177 | 26.7 | -32.1 | 0 | 0 | 0 | 107.3 | N87 | P85-N87 PolarHBondContact O-N 3.31Š| ||
| 86 | R | 45.6 | Very low | 42.5 | Very low | 185 Ų | 185 | 119 Ų | 119 | 70% | 0.698 | 69% | 0.693 | S | S | * | * | trans | -67.4 | 109 | 173.1 | -64.1 | -83.6 | -166.9 | -171.7 | 1.7 | 106.1 | P84 Y88 | P84-R86 PolarHBondContact O-N 3.49Å; R86-Y88 HydrophobicContact CB-CD2 3.27Å; R86-Y88 HydrophobicContact CB-CE2 3.23Å; R86-Y88 HydrophobicContact CB-CG 4.38Å; R86-Y88 HydrophobicContact CG-CD2 4.2Å; R86-Y88 HydrophobicContact CG-CE2 3.67Å; R86-Y88 PolarHBondContact O-N 2.89Å | ||
| 87 | N | 43.9 | Very low | 43.1 | Very low | 151 Ų | 151 | 114.6 Ų | 114.6 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | -65.8 | 73.2 | 170.8 | -65.8 | -41.9 | 0 | 0 | 0 | 109.4 | P85 | P85-N87 PolarHBondContact O-N 3.31Š| ||
| 88 | Y | 42.3 | Very low | 43.7 | Very low | 183 Ų | 183 | 114.6 Ų | 114.6 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | -91 | 111 | 170.2 | -75.8 | -68.7 | 0 | 0 | 0 | 107.8 | R86 P90 | R86-Y88 HydrophobicContact CB-CD2 3.27Å; R86-Y88 HydrophobicContact CB-CE2 3.23Å; R86-Y88 HydrophobicContact CB-CG 4.38Å; R86-Y88 HydrophobicContact CG-CD2 4.2Å; R86-Y88 HydrophobicContact CG-CE2 3.67Å; R86-Y88 PolarHBondContact O-N 2.89Å; Y88-P90 WeakPolarHBondContact O-CD 3.31Å | ||
| 89 | C | 45.9 | Very low | 44.2 | Very low | 50 Ų | 50 | 119.6 Ų | 119.6 | 34% | 0.338 | 68% | 0.682 | S | S | . | * | trans | -79.8 | 113.9 | 163.6 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | T91 C92 | C89-T91 PolarHBondContact O-N 2.92Å; C89-C92 HydrophobicContact CB-CB 4.05Å; C89-C92 PolarHBondContact O-N 3.41Å; C89-C92 VanDerWaalsContact O-N 3.15Å; C89-C92 VanDerWaalsContact SG-SG 3.64Å | ||
| 90 | P | 48.4 | Very low | 45 | Very low | 98 Ų | 98 | 119 Ų | 119 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -3.3 | -175.6 | 27.6 | -33.8 | 0 | 0 | 0 | 113 | Y88 | Y88-P90 WeakPolarHBondContact O-CD 3.31Š|
| 91 | T | 50 | Low | 46 | Very low | 123 Ų | 123 | 117 Ų | 117 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -5.5 | 179.5 | -24.1 | 0 | 0 | 0 | 0 | 113.5 | C89 | C89-T91 PolarHBondContact O-N 2.92Š|
| 92 | C | 49.2 | Very low | 46.9 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 57% | 0.568 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -110.7 | 7 | -171.8 | -66.9 | 0 | 0 | 0 | 0 | 114.9 | C89 | C89-C92 HydrophobicContact CB-CB 4.05Å; C89-C92 PolarHBondContact O-N 3.41Å; C89-C92 VanDerWaalsContact O-N 3.15Å; C89-C92 VanDerWaalsContact SG-SG 3.64Å |
| 93 | S | 43.3 | Very low | 47.5 | Very low | 59 Ų | 59 | 120.1 Ų | 120.1 | 41% | 0.413 | 64% | 0.644 | S | S | . | * | trans | -98.3 | 127.1 | 167.3 | 96.1 | 0 | 0 | 0 | 0 | 109.4 | Y95 E96 | S93-Y95 PolarHBondContact O-N 3.24Å; S93-E96 WeakPolarHBondContact OG-CB 3.37Å; S93-E96 PolarHBondContact OG-N 2.98Å | ||
| 94 | P | 48.3 | Very low | 48.3 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 87% | 0.87 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 5.1 | 176.4 | -18.3 | 30.5 | 0 | 0 | 0 | 114.2 | ||
| 95 | Y | 45.4 | Very low | 48.8 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 47% | 0.467 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.1 | 16.9 | -156.4 | -140.1 | -102.2 | 0 | 0 | 0 | 113 | S93 Y100 | S93-Y95 PolarHBondContact O-N 3.24Å; Y95-Y100 AromaticContact CD1-CD1 3.39Å; Y95-Y100 HydrophobicContact CD1-CD1 3.39Å; Y95-Y100 HydrophobicContact CD1-CD2 4.33Å; Y95-Y100 AromaticContact CD1-CE1 3.76Å; Y95-Y100 HydrophobicContact CD1-CE1 3.76Å; Y95-Y100 AromaticContact CD1-CG 3.76Å; Y95-Y100 HydrophobicContact CD1-CG 3.76Å; Y95-Y100 HydrophobicContact CD2-CD1 4.3Å; Y95-Y100 AromaticContact CD2-CD2 3.87Å; Y95-Y100 HydrophobicContact CD2-CD2 3.87Å; Y95-Y100 HydrophobicContact CD2-CE1 4.3Å; Y95-Y100 AromaticContact CD2-CE2 3.8Å; Y95-Y100 HydrophobicContact CD2-CE2 3.8Å; Y95-Y100 HydrophobicContact CD2-CG 4.13Å; Y95-Y100 AromaticContact CE1-CD1 3.06Å; Y95-Y100 HydrophobicContact CE1-CD1 3.06Å; Y95-Y100 HydrophobicContact CE1-CD2 4.32Å; Y95-Y100 AromaticContact CE1-CE1 2.93Å; Y95-Y100 HydrophobicContact CE1-CE1 2.93Å; Y95-Y100 HydrophobicContact CE1-CE2 4.18Å; Y95-Y100 AromaticContact CE1-CG 3.82Å; Y95-Y100 HydrophobicContact CE1-CG 3.82Å; Y95-Y100 AromaticContact CE1-CZ 3.55Å; Y95-Y100 HydrophobicContact CE2-CD1 4.01Å; Y95-Y100 AromaticContact CE2-CD2 3.79Å; Y95-Y100 HydrophobicContact CE2-CD2 3.79Å; Y95-Y100 AromaticContact CE2-CE1 3.56Å; Y95-Y100 HydrophobicContact CE2-CE1 3.56Å; Y95-Y100 AromaticContact CE2-CE2 3.25Å; Y95-Y100 HydrophobicContact CE2-CE2 3.25Å; Y95-Y100 HydrophobicContact CE2-CG 4.14Å; Y95-Y100 AromaticContact CE2-CZ 3.14Å; Y95-Y100 WeakPolarHBondContact CE2-OH 3.3Å; Y95-Y100 HydrophobicContact CG-CD1 4.07Å; Y95-Y100 HydrophobicContact CG-CD2 4.2Å; Y95-Y100 HydrophobicContact CG-CE1 4.41Å; Y95-Y100 HydrophobicContact CG-CE2 4.47Å; Y95-Y100 AromaticContact CG-CG 4Å; Y95-Y100 HydrophobicContact CG-CG 4Å; Y95-Y100 AromaticContact CZ-CD1 3.46Å; Y95-Y100 VanDerWaalsContact CZ-CD1 3.46Å; Y95-Y100 AromaticContact CZ-CE1 2.85Å; Y95-Y100 AromaticContact CZ-CE2 3.55Å; Y95-Y100 AromaticContact CZ-CZ 2.9Å; Y95-Y100 WeakPolarHBondContact OH-CE1 3.4Å; Y95-Y100 PolarHBondContact OH-OH 3.27Å |
| 96 | E | 48.4 | Very low | 48.9 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | -110.7 | 31.8 | 171.8 | -151.5 | -173.2 | -168.7 | 0 | 0 | 111.2 | S93 | S93-E96 WeakPolarHBondContact OG-CB 3.37Å; S93-E96 PolarHBondContact OG-N 2.98Å | ||
| 97 | S | 48.1 | Very low | 49.6 | Very low | 58 Ų | 58 | 124.3 Ų | 124.3 | 41% | 0.406 | 65% | 0.65 | S | S | . | * | trans | -72.3 | 134 | 160.5 | 170.7 | 0 | 0 | 0 | 0 | 107.7 | F99 Y100 | S97-F99 PolarHBondContact O-N 3.39Å; S97-F99 PolarHBondContact OG-N 3.21Å; S97-Y100 PolarHBondContact O-N 3.42Å | ||
| 98 | P | 54.3 | Low | 49.9 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 81% | 0.805 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -5.2 | 176.7 | 27.5 | -33.9 | 0 | 0 | 0 | 113 | ||
| 99 | F | 51.5 | Low | 50.3 | Low | 186 Ų | 186 | 124.6 Ų | 124.6 | 82% | 0.816 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 1.2 | 172.5 | -59.4 | -77.4 | 0 | 0 | 0 | 113.8 | S97 | S97-F99 PolarHBondContact O-N 3.39Å; S97-F99 PolarHBondContact OG-N 3.21Å |
| 100 | Y | 49.9 | Very low | 50.7 | Low | 105 Ų | 105 | 125.5 Ų | 125.5 | 41% | 0.412 | 68% | 0.676 | S | S | . | * | trans | -90.5 | 108.7 | 174.3 | -155.5 | -74.6 | 0 | 0 | 0 | 110.9 | Y95 S97 R102 | Y95-Y100 AromaticContact CD1-CD1 3.39Å; Y95-Y100 HydrophobicContact CD1-CD1 3.39Å; Y95-Y100 HydrophobicContact CD1-CD2 4.33Å; Y95-Y100 AromaticContact CD1-CE1 3.76Å; Y95-Y100 HydrophobicContact CD1-CE1 3.76Å; Y95-Y100 AromaticContact CD1-CG 3.76Å; Y95-Y100 HydrophobicContact CD1-CG 3.76Å; Y95-Y100 HydrophobicContact CD2-CD1 4.3Å; Y95-Y100 AromaticContact CD2-CD2 3.87Å; Y95-Y100 HydrophobicContact CD2-CD2 3.87Å; Y95-Y100 HydrophobicContact CD2-CE1 4.3Å; Y95-Y100 AromaticContact CD2-CE2 3.8Å; Y95-Y100 HydrophobicContact CD2-CE2 3.8Å; Y95-Y100 HydrophobicContact CD2-CG 4.13Å; Y95-Y100 AromaticContact CE1-CD1 3.06Å; Y95-Y100 HydrophobicContact CE1-CD1 3.06Å; Y95-Y100 HydrophobicContact CE1-CD2 4.32Å; Y95-Y100 AromaticContact CE1-CE1 2.93Å; Y95-Y100 HydrophobicContact CE1-CE1 2.93Å; Y95-Y100 HydrophobicContact CE1-CE2 4.18Å; Y95-Y100 AromaticContact CE1-CG 3.82Å; Y95-Y100 HydrophobicContact CE1-CG 3.82Å; Y95-Y100 AromaticContact CE1-CZ 3.55Å; Y95-Y100 HydrophobicContact CE2-CD1 4.01Å; Y95-Y100 AromaticContact CE2-CD2 3.79Å; Y95-Y100 HydrophobicContact CE2-CD2 3.79Å; Y95-Y100 AromaticContact CE2-CE1 3.56Å; Y95-Y100 HydrophobicContact CE2-CE1 3.56Å; Y95-Y100 AromaticContact CE2-CE2 3.25Å; Y95-Y100 HydrophobicContact CE2-CE2 3.25Å; Y95-Y100 HydrophobicContact CE2-CG 4.14Å; Y95-Y100 AromaticContact CE2-CZ 3.14Å; Y95-Y100 WeakPolarHBondContact CE2-OH 3.3Å; Y95-Y100 HydrophobicContact CG-CD1 4.07Å; Y95-Y100 HydrophobicContact CG-CD2 4.2Å; Y95-Y100 HydrophobicContact CG-CE1 4.41Å; Y95-Y100 HydrophobicContact CG-CE2 4.47Å; Y95-Y100 AromaticContact CG-CG 4Å; Y95-Y100 HydrophobicContact CG-CG 4Å; Y95-Y100 AromaticContact CZ-CD1 3.46Å; Y95-Y100 VanDerWaalsContact CZ-CD1 3.46Å; Y95-Y100 AromaticContact CZ-CE1 2.85Å; Y95-Y100 AromaticContact CZ-CE2 3.55Å; Y95-Y100 AromaticContact CZ-CZ 2.9Å; Y95-Y100 WeakPolarHBondContact OH-CE1 3.4Å; Y95-Y100 PolarHBondContact OH-OH 3.27Å; S97-Y100 PolarHBondContact O-N 3.42Å; Y100-R102 PolarHBondContact O-N 2.81Å; Y100-R102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | I | 57.6 | Low | 51.4 | Low | 140 Ų | 140 | 125.1 Ų | 125.1 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | trans | -70.6 | 107.8 | 172.6 | -64.6 | 163.4 | 0 | 0 | 0 | 108.1 | T103 | I101-T103 PolarHBondContact O-N 3.46Š| ||
| 102 | R | 49.7 | Very low | 51.8 | Low | 192 Ų | 192 | 127.9 Ų | 127.9 | 73% | 0.725 | 69% | 0.694 | S | S | * | * | trans | -65.1 | 103 | 164.7 | -88.3 | -143.8 | -178.1 | -174.5 | 3.8 | 109.3 | Y100 T104 | Y100-R102 PolarHBondContact O-N 2.81Å; Y100-R102 VanDerWaalsContact O-N 3.16Å; R102-T104 WeakPolarHBondContact CD-OG1 3.17Å; R102-T104 PolarHBondContact O-N 3.08Å; R102-T104 VanDerWaalsContact O-N 3.12Å | ||
| 103 | T | 55.5 | Low | 52.4 | Low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -79.7 | 73.6 | 154.9 | 27.9 | 0 | 0 | 0 | 0 | 108.2 | I101 | I101-T103 PolarHBondContact O-N 3.46Š| ||
| 104 | T | 52.8 | Low | 53.3 | Low | 89 Ų | 89 | 140 Ų | 140 | 55% | 0.546 | 73% | 0.729 | S | S | . | * | trans | -126.1 | 112.9 | 166.5 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | R102 | R102-T104 WeakPolarHBondContact CD-OG1 3.17Å; R102-T104 PolarHBondContact O-N 3.08Å; R102-T104 VanDerWaalsContact O-N 3.12Å | ||
| 105 | D | 50.9 | Low | 53.7 | Low | 121 Ų | 121 | 138.7 Ų | 138.7 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | trans | 97.4 | 71 | 140.9 | -149.1 | 51.8 | 0 | 0 | 0 | 117.7 | M107 | D105-M107 WeakPolarHBondContact OD1-CE 3.36Š| ||
| 106 | E | 45.7 | Very low | 54 | Low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -137.3 | 83 | 138.7 | -84 | -169 | 91.3 | 0 | 0 | 108.9 | H108 | E106-H108 PolarHBondContact O-N 3.46Å; E106-H108 VanDerWaalsContact O-N 3.17Å | ||
| 107 | M | 59.7 | Low | 54.3 | Low | 157 Ų | 157 | 142.6 Ų | 142.6 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -70 | 97.2 | 161.5 | 33.2 | 171.7 | 155 | 0 | 0 | 108.9 | D105 | D105-M107 WeakPolarHBondContact OD1-CE 3.36Š| ||
| 108 | H | 50.4 | Low | 54.2 | Low | 160 Ų | 160 | 144.4 Ų | 144.4 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -107.6 | 126.3 | 153.6 | -77.8 | 87.4 | 0 | 0 | 0 | 109.1 | E106 G110 | E106-H108 PolarHBondContact O-N 3.46Å; E106-H108 VanDerWaalsContact O-N 3.17Å; H108-G110 PolarHBondContact O-N 2.87Å | ||
| 109 | N | 52.3 | Low | 54 | Low | 181 Ų | 181 | 144.9 Ų | 144.9 | 97% | 0.968 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -51.5 | 112 | -174.5 | -149.8 | -3.8 | 0 | 0 | 0 | 111.6 | ||
| 110 | G | 54.1 | Low | 53.7 | Low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -177.7 | 95.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H108 E112 | H108-G110 PolarHBondContact O-N 2.87Å; G110-E112 PolarHBondContact O-N 3.4Å | ||
| 111 | G | 63.3 | Low | 53.2 | Low | 89 Ų | 89 | 147.6 Ų | 147.6 | 92% | 0.918 | 76% | 0.759 | S | S | * | * | trans | -68.7 | 122.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 112 | E | 57.5 | Low | 52.4 | Low | 182 Ų | 182 | 147.9 Ų | 147.9 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | -142.3 | 130.9 | 146.3 | -163.4 | 167.3 | 177.5 | 0 | 0 | 109.9 | G110 I114 | G110-E112 PolarHBondContact O-N 3.4Å; E112-I114 PolarHBondContact O-N 3.14Å; E112-I114 VanDerWaalsContact O-N 3.14Å | ||
| 113 | R | 62.4 | Low | 52 | Low | 238 Ų | 238 | 142.9 Ų | 142.9 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | -81.2 | 91.1 | -167.7 | -62.2 | 165.1 | 140.6 | -136.5 | -5.5 | 109.7 | T115 | R113-T115 PolarHBondContact O-N 3.03Š| ||
| 114 | I | 60.9 | Low | 51.5 | Low | 159 Ų | 159 | 142.5 Ų | 142.5 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | trans | -84.5 | 93.9 | 169.8 | -54.2 | 170 | 0 | 0 | 0 | 107.8 | E112 Y116 | E112-I114 PolarHBondContact O-N 3.14Å; E112-I114 VanDerWaalsContact O-N 3.14Å; I114-Y116 PolarHBondContact O-N 3.15Å | ||
| 115 | T | 58.2 | Low | 51.1 | Low | 107 Ų | 107 | 142.1 Ų | 142.1 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | trans | -67.2 | 95.9 | 169.2 | -56.8 | 0 | 0 | 0 | 0 | 108.6 | R113 M117 | R113-T115 PolarHBondContact O-N 3.03Å; T115-M117 HydrophobicContact CG2-CE 3.5Å; T115-M117 HydrophobicContact CG2-CG 4.22Å; T115-M117 PolarHBondContact O-N 3.07Å | ||
| 116 | Y | 51.9 | Low | 50.8 | Low | 193 Ų | 193 | 143.5 Ų | 143.5 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -72.9 | 104.9 | 167.9 | -174.1 | -99.7 | 0 | 0 | 0 | 108.6 | I114 P118 | I114-Y116 PolarHBondContact O-N 3.15Å; Y116-P118 HydrophobicContact CD1-CG 4.1Å; Y116-P118 HydrophobicContact CE1-CB 4.21Å; Y116-P118 HydrophobicContact CE1-CG 4.06Å; Y116-P118 WeakPolarHBondContact O-CD 3.44Å | ||
| 117 | M | 53.7 | Low | 50.6 | Low | 142 Ų | 142 | 139.7 Ų | 139.7 | 70% | 0.7 | 76% | 0.755 | S | S | * | * | trans | -85.9 | 110.7 | 166.5 | -74.1 | -75 | 106.9 | 0 | 0 | 107.8 | T115 T119 | T115-M117 HydrophobicContact CG2-CE 3.5Å; T115-M117 HydrophobicContact CG2-CG 4.22Å; T115-M117 PolarHBondContact O-N 3.07Å; M117-T119 PolarHBondContact O-N 3.47Å; M117-T119 VanDerWaalsContact O-N 3.11Å | ||
| 118 | P | 46.7 | Very low | 49.8 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | trans | -63.8 | 116.5 | 170.3 | -14.3 | 29.3 | 0 | 0 | 0 | 107.5 | Y116 H120 | Y116-P118 HydrophobicContact CD1-CG 4.1Å; Y116-P118 HydrophobicContact CE1-CB 4.21Å; Y116-P118 HydrophobicContact CE1-CG 4.06Å; Y116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-H120 PolarHBondContact O-N 3.11Å | ||
| 119 | T | 48.5 | Very low | 49.4 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -57.5 | 110.4 | 171.6 | 49 | 0 | 0 | 0 | 0 | 108.2 | M117 Y121 | M117-T119 PolarHBondContact O-N 3.47Å; M117-T119 VanDerWaalsContact O-N 3.11Å; T119-Y121 PolarHBondContact O-N 3.18Å; T119-Y121 VanDerWaalsContact O-N 3.07Å | ||
| 120 | H | 45.7 | Very low | 48.7 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | -41.7 | 108.1 | 171.9 | -173.6 | -111.1 | 0 | 0 | 0 | 110.6 | P118 E122 | P118-H120 PolarHBondContact O-N 3.11Å; H120-E122 IonicContact CE1-OE2 3.27Å; H120-E122 PolarHBondContact CE1-OE2 2.95Å; H120-E122 VanDerWaalsContact CE1-OE2 3.27Å; H120-E122 IonicContact ND1-OE2 3.27Å; H120-E122 PolarHBondContact ND1-OE2 3.18Å; H120-E122 PolarHBondContact O-N 3.31Å | ||
| 121 | Y | 40.8 | Very low | 48 | Very low | 199 Ų | 199 | 138 Ų | 138 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | -82.3 | 97.5 | 164.1 | -172.6 | -91.1 | 0 | 0 | 0 | 106.8 | T119 N123 | T119-Y121 PolarHBondContact O-N 3.18Å; T119-Y121 VanDerWaalsContact O-N 3.07Å; Y121-N123 HydrophobicContact CD1-CB 4.11Å; Y121-N123 HydrophobicContact CE1-CB 4.06Å; Y121-N123 PolarHBondContact O-N 3.07Å; Y121-N123 VanDerWaalsContact O-N 3.09Å | ||
| 122 | E | 39.8 | Very low | 46.8 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -71.7 | 102.8 | 175.4 | -154.2 | 156.1 | 153.6 | 0 | 0 | 108 | H120 P124 | H120-E122 IonicContact CE1-OE2 3.27Å; H120-E122 PolarHBondContact CE1-OE2 2.95Å; H120-E122 VanDerWaalsContact CE1-OE2 3.27Å; H120-E122 IonicContact ND1-OE2 3.27Å; H120-E122 PolarHBondContact ND1-OE2 3.18Å; H120-E122 PolarHBondContact O-N 3.31Å; E122-P124 WeakPolarHBondContact O-CD 3.19Å | ||
| 123 | N | 40.5 | Very low | 46 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 47% | 0.471 | 75% | 0.749 | S | S | . | * | trans | -95.9 | 100 | 168.7 | -169.5 | -33.6 | 0 | 0 | 0 | 108 | Y121 A125 | Y121-N123 HydrophobicContact CD1-CB 4.11Å; Y121-N123 HydrophobicContact CE1-CB 4.06Å; Y121-N123 PolarHBondContact O-N 3.07Å; Y121-N123 VanDerWaalsContact O-N 3.09Å; N123-A125 PolarHBondContact O-N 3.09Å; N123-A125 WeakPolarHBondContact OD1-CB 3.32Å; N123-A125 PolarHBondContact OD1-N 3.27Å; N123-A125 VanDerWaalsContact OD1-N 3.15Å | ||
| 124 | P | 45.9 | Very low | 44.8 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 3.9 | -176.8 | 26.1 | -33.4 | 0 | 0 | 0 | 114.4 | E122 | E122-P124 WeakPolarHBondContact O-CD 3.19Š|
| 125 | A | 44.9 | Very low | 43.5 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -1.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N123 | N123-A125 PolarHBondContact O-N 3.09Å; N123-A125 WeakPolarHBondContact OD1-CB 3.32Å; N123-A125 PolarHBondContact OD1-N 3.27Å; N123-A125 VanDerWaalsContact OD1-N 3.15Å |
| 126 | L | 43.9 | Very low | 42.3 | Very low | 151 Ų | 151 | 130 Ų | 130 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -116.8 | 1.8 | -175.7 | -96 | 156.5 | 0 | 0 | 0 | 115.2 | L128 | L126-L128 PolarHBondContact O-N 3.03Š|
| 127 | A | 41.4 | Very low | 41.6 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | trans | -84.7 | 43 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 128 | L | 43.1 | Very low | 40.9 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -110.5 | 98.3 | 170.8 | -82.7 | 162.1 | 0 | 0 | 0 | 109.8 | L126 | L126-L128 PolarHBondContact O-N 3.03Š| ||
| 129 | A | 41.8 | Very low | 40.3 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 59.2 | 116.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 130 | L | 38.2 | Very low | 39.6 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | -164.3 | 141.6 | 122.9 | -96.9 | 155.9 | 0 | 0 | 0 | 109.7 | |||||
| 131 | P | 39.8 | Very low | 39.1 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -82.8 | 139.5 | -164.1 | 33.5 | -33.6 | 0 | 0 | 0 | 112.7 | L133 | P131-L133 PolarHBondContact O-N 3.27Š| ||
| 132 | S | 38.1 | Very low | 38.8 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | -81.6 | 110.8 | 172.3 | 175 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 133 | L | 39.9 | Very low | 38.6 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -103.5 | 138.1 | 170.3 | -117.3 | 154 | 0 | 0 | 0 | 109.4 | P131 | P131-L133 PolarHBondContact O-N 3.27Š| ||
| 134 | H | 38.2 | Very low | 38.3 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | trans | 74.3 | 132.8 | 170.5 | -98.3 | 64.5 | 0 | 0 | 0 | 117.2 | ||||
| 135 | G | 32.4 | Very low | 38.1 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | 131.2 | 134.2 | 11 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 136 | S | 33.2 | Very low | 38 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 95.5 | 105.8 | 165.5 | -69.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 137 | L | 36.9 | Very low | 38.2 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 97.8 | 133.5 | 87.5 | -73.8 | -167.8 | 0 | 0 | 0 | 108.5 | |||||
| 138 | L | 39.1 | Very low | 38.1 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | cis | -170.6 | 155 | 22.2 | -113.2 | 158.7 | 0 | 0 | 0 | 109.3 | ||||
| 139 | S | 34 | Very low | 38.4 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 72.3 | 135.8 | 148.3 | -55.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 140 | T | 34.9 | Very low | 38.5 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | cis | -159.8 | 125.5 | 30.4 | -154.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 141 | S | 33.3 | Very low | 38.8 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 58% | 0.58 | 75% | 0.753 | S | S | * | * | 96.5 | 112.5 | 96.2 | 176.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 142 | Q | 35.8 | Very low | 38.8 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 128.5 | 148 | -65.1 | -178.1 | 53.1 | 0 | 0 | 116.8 | ||||
| 143 | H | 34.4 | Very low | 39 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 63% | 0.634 | 75% | 0.751 | S | S | * | * | -178.9 | 142.1 | 54.2 | -175.1 | -106.2 | 0 | 0 | 0 | 111 | |||||
| 144 | R | 34.9 | Very low | 38.9 | Very low | 219 Ų | 219 | 136.1 Ų | 136.1 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | 68.1 | 134.1 | 162.6 | -93.3 | 178.4 | 171.8 | 154.2 | -8.9 | 118 | ||||
| 145 | S | 41.8 | Very low | 39.2 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | cis | -165.8 | 120.9 | 20.2 | 45 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 146 | N | 42.4 | Very low | 40.2 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | 47.7 | 155.5 | 139 | -100.7 | 21.9 | 0 | 0 | 0 | 125.3 | ||||
| 147 | P | 48.4 | Very low | 41 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -118.5 | 157.7 | -149.9 | 42.3 | -30.5 | 0 | 0 | 0 | 116.9 | ||||
| 148 | A | 39.4 | Very low | 41.5 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 54 | 168.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 149 | P | 49.9 | Very low | 41.9 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -133.3 | -178.2 | -2.1 | 39.1 | -19.5 | 0 | 0 | 0 | 115.4 | ||||
| 150 | D | 44.3 | Very low | 43.3 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -53.9 | 138.6 | -179.4 | -51 | -71 | 0 | 0 | 0 | 116.1 | ||||
| 151 | F | 43.8 | Very low | 43.8 | Very low | 204 Ų | 204 | 144 Ų | 144 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -134.4 | 127.9 | 158.5 | -88.3 | -83.4 | 0 | 0 | 0 | 112.2 | ||||
| 152 | Y | 40.8 | Very low | 44.3 | Very low | 218 Ų | 218 | 149.7 Ų | 149.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -69.8 | 137.5 | -174.9 | -142.7 | -110.9 | 0 | 0 | 0 | 112.2 | ||||
| 153 | T | 41.8 | Very low | 44.7 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | trans | 45.5 | 102.5 | 136.6 | -42.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 154 | N | 36.7 | Very low | 45.3 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -165.3 | 109 | 131.9 | -145.6 | -75.8 | 0 | 0 | 0 | 112.2 | R156 | N154-R156 PolarHBondContact OD1-N 3.44Š| ||
| 155 | T | 46 | Very low | 45.9 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -128.5 | 80.8 | 160.1 | -48.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 156 | R | 51.8 | Low | 46.1 | Very low | 229 Ų | 229 | 147.8 Ų | 147.8 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -113.9 | 115 | 157.5 | -85 | -166.9 | 179.6 | -167.8 | 1.3 | 108.6 | N154 | N154-R156 PolarHBondContact OD1-N 3.44Š| ||
| 157 | A | 50.9 | Low | 46.3 | Very low | 78 Ų | 78 | 146.7 Ų | 146.7 | 65% | 0.645 | 81% | 0.813 | S | S | * | * | trans | -175.3 | 103.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 158 | I | 46.8 | Very low | 46.2 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | 90.1 | 136 | 111.3 | -67.4 | 162.2 | 0 | 0 | 0 | 110.6 | |||||
| 159 | S | 48.8 | Very low | 46.7 | Very low | 104 Ų | 104 | 153.4 Ų | 153.4 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | cis | -156.6 | 149.3 | 10.4 | -152 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 160 | T | 62.8 | Low | 46.4 | Very low | 132 Ų | 132 | 157.2 Ų | 157.2 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -114.3 | 118.5 | 160.9 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 161 | D | 44.8 | Very low | 46.6 | Very low | 161 Ų | 161 | 157.5 Ų | 157.5 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | trans | -78.6 | 126.6 | 169.2 | -135.1 | -92.3 | 0 | 0 | 0 | 108.4 | ||||
| 162 | V | 44.4 | Very low | 46.9 | Very low | 202 Ų | 202 | 153.3 Ų | 153.3 | 100% | 1.224 | 83% | 0.833 | S | S | * | * | trans | -146.1 | 0 | 161.8 | -155.1 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 162 of 162 residues in 64.5 ms
(Link to these results)