| 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 | 60.1 | Low | 81.6 | Confident | 233 Ų | 233 | 92.2 Ų | 92.2 | 100% | 1.148 | 59% | 0.587 | S | S | * | * | 0 | 58.6 | 0 | -65.5 | 164.7 | 73.1 | 0 | 0 | 110.3 | |||||
| 2 | T | 74.8 | Confident | 82.7 | Confident | 110 Ų | 110 | 92.5 Ų | 92.5 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | trans | -130.7 | -13.2 | -170.4 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | T5 | T2-T5 PolarHBondContact O-OG1 3.37Š| ||
| 3 | A | 72.5 | Confident | 83.6 | Confident | 80 Ų | 80 | 93.8 Ų | 93.8 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73 | -31.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V7 | A3-V7 WeakPolarHBondContact O-CG2 3.01Å |
| 4 | G | 79.1 | Confident | 84.4 | Confident | 45 Ų | 45 | 91.2 Ų | 91.2 | 46% | 0.464 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73 | -38.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V7 I8 | G4-V7 PolarHBondContact O-N 3.36Å; G4-I8 WeakPolarHBondContact O-CD1 3.29Å; G4-I8 WeakPolarHBondContact O-CG1 3.48Å; G4-I8 PolarHBondContact O-N 3.07Å; G4-I8 VanDerWaalsContact O-N 3.08Å |
| 5 | T | 80 | Confident | 85.1 | Confident | 84 Ų | 84 | 90.3 Ų | 90.3 | 52% | 0.515 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.4 | -40 | -176.6 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | T2 V7 I8 T9 | T2-T5 PolarHBondContact O-OG1 3.37Å; T5-V7 VanDerWaalsContact C-N 3.31Å; T5-V7 PolarHBondContact O-N 3.21Å; T5-I8 PolarHBondContact O-N 2.93Å; T5-T9 WeakPolarHBondContact O-CG2 3.19Å; T5-T9 PolarHBondContact O-N 3.11Å; T5-T9 PolarHBondContact O-OG1 3.08Å |
| 6 | V | 84.8 | Confident | 85.8 | Confident | 98 Ų | 98 | 89.3 Ų | 89.3 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.3 | -37.2 | 177.4 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | T9 G10 | V6-T9 PolarHBondContact O-OG1 2.83Å; V6-G10 WeakPolarHBondContact O-CA 3.36Å; V6-G10 PolarHBondContact O-N 3.31Å |
| 7 | V | 86.3 | Confident | 86.4 | Confident | 108 Ų | 108 | 90.1 Ų | 90.1 | 66% | 0.655 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.8 | -40.6 | 176.1 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | A3 G4 T5 G11 | A3-V7 WeakPolarHBondContact O-CG2 3.01Å; G4-V7 PolarHBondContact O-N 3.36Å; T5-V7 VanDerWaalsContact C-N 3.31Å; T5-V7 PolarHBondContact O-N 3.21Å; V7-G11 PolarHBondContact O-N 3.23Å |
| 8 | I | 87.6 | Confident | 86.9 | Confident | 108 Ų | 108 | 90.7 Ų | 90.7 | 55% | 0.554 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.1 | -50.6 | 178.6 | -65.4 | 162.6 | 0 | 0 | 0 | 110.5 | G4 T5 G11 I12 | G4-I8 WeakPolarHBondContact O-CD1 3.29Å; G4-I8 WeakPolarHBondContact O-CG1 3.48Å; G4-I8 PolarHBondContact O-N 3.07Å; G4-I8 VanDerWaalsContact O-N 3.08Å; T5-I8 PolarHBondContact O-N 2.93Å; I8-G11 PolarHBondContact O-N 3.4Å; I8-I12 HydrophobicContact CG2-CD1 4.01Å; I8-I12 WeakPolarHBondContact O-CD1 3.45Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.42Å; I8-I12 PolarHBondContact O-N 2.9Å |
| 9 | T | 88.9 | Confident | 87.3 | Confident | 80 Ų | 80 | 91.9 Ų | 91.9 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -40.5 | 178.8 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | T5 V6 G11 I12 L13 | T5-T9 WeakPolarHBondContact O-CG2 3.19Å; T5-T9 PolarHBondContact O-N 3.11Å; T5-T9 PolarHBondContact O-OG1 3.08Å; V6-T9 PolarHBondContact O-OG1 2.83Å; T9-G11 VanDerWaalsContact C-N 3.34Å; T9-G11 PolarHBondContact O-N 3.42Å; T9-I12 PolarHBondContact O-N 3.35Å; T9-L13 WeakPolarHBondContact O-CB 2.77Å; T9-L13 VanDerWaalsContact O-CG 3.29Å; T9-L13 WeakPolarHBondContact O-CG 3.21Å; T9-L13 PolarHBondContact O-N 3.09Å |
| 10 | G | 91 | Very high | 87.7 | Confident | 34 Ų | 34 | 91.1 Ų | 91.1 | 35% | 0.351 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V6 L13 A14 | V6-G10 WeakPolarHBondContact O-CA 3.36Å; V6-G10 PolarHBondContact O-N 3.31Å; G10-L13 PolarHBondContact O-N 2.95Å; G10-A14 VanDerWaalsContact O-CB 3.29Å; G10-A14 WeakPolarHBondContact O-CB 3.35Å; G10-A14 PolarHBondContact O-N 2.9Å |
| 11 | G | 92.2 | Very high | 88.1 | Confident | 34 Ų | 34 | 91 Ų | 91 | 35% | 0.351 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V7 I8 T9 A14 T15 | V7-G11 PolarHBondContact O-N 3.23Å; I8-G11 PolarHBondContact O-N 3.4Å; T9-G11 VanDerWaalsContact C-N 3.34Å; T9-G11 PolarHBondContact O-N 3.42Å; G11-A14 PolarHBondContact O-N 2.92Å; G11-T15 WeakPolarHBondContact O-CG2 3.3Å; G11-T15 PolarHBondContact O-N 3.32Å; G11-T15 PolarHBondContact O-OG1 3.29Å |
| 12 | I | 95.1 | Very high | 89.7 | Confident | 96 Ų | 96 | 84.2 Ų | 84.2 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.9 | -64.2 | 162.7 | 0 | 0 | 0 | 110.7 | I8 T9 A14 T15 V16 | I8-I12 HydrophobicContact CG2-CD1 4.01Å; I8-I12 WeakPolarHBondContact O-CD1 3.45Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.42Å; I8-I12 PolarHBondContact O-N 2.9Å; T9-I12 PolarHBondContact O-N 3.35Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-A14 PolarHBondContact O-N 2.86Å; I12-T15 PolarHBondContact O-N 3.16Å; I12-T15 PolarHBondContact O-OG1 3.25Å; I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CB 3.44Å; I12-V16 VanDerWaalsContact O-CG2 3.23Å; I12-V16 WeakPolarHBondContact O-CG2 3.33Å; I12-V16 PolarHBondContact O-N 2.74Å |
| 13 | L | 94.4 | Very high | 90.3 | Very high | 109 Ų | 109 | 81.8 Ų | 81.8 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 176.3 | -70.3 | 170.9 | 0 | 0 | 0 | 111.4 | T9 G10 V16 I17 | T9-L13 WeakPolarHBondContact O-CB 2.77Å; T9-L13 VanDerWaalsContact O-CG 3.29Å; T9-L13 WeakPolarHBondContact O-CG 3.21Å; T9-L13 PolarHBondContact O-N 3.09Å; G10-L13 PolarHBondContact O-N 2.95Å; L13-V16 PolarHBondContact O-N 3.17Å; L13-I17 WeakPolarHBondContact O-CB 2.93Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 2.76Å |
| 14 | A | 94.8 | Very high | 91.1 | Very high | 58 Ų | 58 | 82.1 Ų | 82.1 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G10 G11 I12 L18 | G10-A14 VanDerWaalsContact O-CB 3.29Å; G10-A14 WeakPolarHBondContact O-CB 3.35Å; G10-A14 PolarHBondContact O-N 2.9Å; G11-A14 PolarHBondContact O-N 2.92Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-A14 PolarHBondContact O-N 2.86Å; A14-L18 WeakPolarHBondContact O-CB 3.41Å; A14-L18 PolarHBondContact O-N 3.42Å |
| 15 | T | 95.1 | Very high | 91.5 | Very high | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | G11 I12 L18 L19 | G11-T15 WeakPolarHBondContact O-CG2 3.3Å; G11-T15 PolarHBondContact O-N 3.32Å; G11-T15 PolarHBondContact O-OG1 3.29Å; I12-T15 PolarHBondContact O-N 3.16Å; I12-T15 PolarHBondContact O-OG1 3.25Å; T15-L18 PolarHBondContact O-N 3.49Å; T15-L19 WeakPolarHBondContact O-CB 3.31Å; T15-L19 VanDerWaalsContact O-CG 3.26Å; T15-L19 WeakPolarHBondContact O-CG 3.18Å; T15-L19 PolarHBondContact O-N 3.38Å |
| 16 | V | 96.7 | Very high | 91.9 | Very high | 75 Ų | 75 | 84.8 Ų | 84.8 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I12 L13 L18 L19 C20 | I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CB 3.44Å; I12-V16 VanDerWaalsContact O-CG2 3.23Å; I12-V16 WeakPolarHBondContact O-CG2 3.33Å; I12-V16 PolarHBondContact O-N 2.74Å; L13-V16 PolarHBondContact O-N 3.17Å; V16-L18 PolarHBondContact O-N 2.7Å; V16-L19 PolarHBondContact O-N 2.77Å; V16-C20 WeakPolarHBondContact O-CB 3.46Å; V16-C20 PolarHBondContact O-N 2.86Å |
| 17 | I | 96 | Very high | 91.8 | Very high | 102 Ų | 102 | 84 Ų | 84 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 177.3 | -67.8 | 163.8 | 0 | 0 | 0 | 110.6 | L13 L19 C20 I21 | L13-I17 WeakPolarHBondContact O-CB 2.93Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 2.76Å; I17-L19 PolarHBondContact O-N 3.01Å; I17-C20 WeakPolarHBondContact O-CB 3.3Å; I17-C20 PolarHBondContact O-N 3.5Å; I17-I21 HydrophobicContact CG2-CD1 3.95Å; I17-I21 WeakPolarHBondContact O-CG1 3.47Å; I17-I21 PolarHBondContact O-N 3.34Å |
| 18 | L | 95.5 | Very high | 91.5 | Very high | 102 Ų | 102 | 82 Ų | 82 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 178.1 | -178.2 | 65.9 | 0 | 0 | 0 | 111.7 | A14 T15 V16 C20 I21 I22 | A14-L18 WeakPolarHBondContact O-CB 3.41Å; A14-L18 PolarHBondContact O-N 3.42Å; T15-L18 PolarHBondContact O-N 3.49Å; V16-L18 PolarHBondContact O-N 2.7Å; L18-C20 VanDerWaalsContact C-N 3.35Å; L18-I21 PolarHBondContact O-N 3.29Å; L18-I22 HydrophobicContact CD1-CD1 4.22Å; L18-I22 HydrophobicContact CG-CD1 3.94Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 3.3Å |
| 19 | L | 94.8 | Very high | 91.3 | Very high | 114 Ų | 114 | 83.9 Ų | 83.9 | 60% | 0.597 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 177 | -73.5 | 174.2 | 0 | 0 | 0 | 111.7 | T15 V16 I17 I22 A23 | T15-L19 WeakPolarHBondContact O-CB 3.31Å; T15-L19 VanDerWaalsContact O-CG 3.26Å; T15-L19 WeakPolarHBondContact O-CG 3.18Å; T15-L19 PolarHBondContact O-N 3.38Å; V16-L19 PolarHBondContact O-N 2.77Å; I17-L19 PolarHBondContact O-N 3.01Å; L19-I22 PolarHBondContact O-N 3.5Å; L19-A23 VanDerWaalsContact O-CB 3.24Å; L19-A23 WeakPolarHBondContact O-CB 3Å; L19-A23 PolarHBondContact O-N 3.17Å |
| 20 | C | 94.9 | Very high | 90.5 | Very high | 74 Ų | 74 | 84.9 Ų | 84.9 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 173.5 | -85.8 | 0 | 0 | 0 | 0 | 111.8 | V16 I17 L18 A23 V24 | V16-C20 WeakPolarHBondContact O-CB 3.46Å; V16-C20 PolarHBondContact O-N 2.86Å; I17-C20 WeakPolarHBondContact O-CB 3.3Å; I17-C20 PolarHBondContact O-N 3.5Å; L18-C20 VanDerWaalsContact C-N 3.35Å; C20-A23 PolarHBondContact O-N 3.21Å; C20-V24 WeakPolarHBondContact O-CB 3.38Å; C20-V24 VanDerWaalsContact O-CG2 3.28Å; C20-V24 WeakPolarHBondContact O-CG2 3.32Å; C20-V24 PolarHBondContact O-N 2.73Å |
| 21 | I | 94.9 | Very high | 89.3 | Confident | 91 Ų | 91 | 85.6 Ų | 85.6 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 178.4 | -65.9 | 165.7 | 0 | 0 | 0 | 110.4 | I17 L18 A23 V24 L25 | I17-I21 HydrophobicContact CG2-CD1 3.95Å; I17-I21 WeakPolarHBondContact O-CG1 3.47Å; I17-I21 PolarHBondContact O-N 3.34Å; L18-I21 PolarHBondContact O-N 3.29Å; I21-A23 PolarHBondContact O-N 3.02Å; I21-V24 PolarHBondContact O-N 2.69Å; I21-L25 HydrophobicContact CG2-CD1 3.81Å; I21-L25 HydrophobicContact CG2-CG 4.24Å; I21-L25 WeakPolarHBondContact O-CB 3.3Å; I21-L25 VanDerWaalsContact O-CG 3.25Å; I21-L25 WeakPolarHBondContact O-CG 3.36Å; I21-L25 PolarHBondContact O-N 3.16Å |
| 22 | I | 93.8 | Very high | 88.2 | Confident | 90 Ų | 90 | 90.2 Ų | 90.2 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.2 | -66.7 | 167.5 | 0 | 0 | 0 | 110.8 | L18 L19 L25 C26 | L18-I22 HydrophobicContact CD1-CD1 4.22Å; L18-I22 HydrophobicContact CG-CD1 3.94Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 3.3Å; L19-I22 PolarHBondContact O-N 3.5Å; I22-L25 PolarHBondContact O-N 3.32Å; I22-C26 WeakPolarHBondContact O-CB 3.13Å; I22-C26 PolarHBondContact O-N 2.86Å |
| 23 | A | 87.3 | Confident | 86.6 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L19 C20 I21 C26 Y27 | L19-A23 VanDerWaalsContact O-CB 3.24Å; L19-A23 WeakPolarHBondContact O-CB 3Å; L19-A23 PolarHBondContact O-N 3.17Å; C20-A23 PolarHBondContact O-N 3.21Å; I21-A23 PolarHBondContact O-N 3.02Å; A23-C26 PolarHBondContact O-N 3.17Å; A23-Y27 WeakPolarHBondContact O-CB 3.28Å; A23-Y27 PolarHBondContact O-N 2.87Å |
| 24 | V | 89.9 | Confident | 85.1 | Confident | 86 Ų | 86 | 88.7 Ų | 88.7 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111 | C20 I21 C26 Y27 C28 | C20-V24 WeakPolarHBondContact O-CB 3.38Å; C20-V24 VanDerWaalsContact O-CG2 3.28Å; C20-V24 WeakPolarHBondContact O-CG2 3.32Å; C20-V24 PolarHBondContact O-N 2.73Å; I21-V24 PolarHBondContact O-N 2.69Å; V24-C26 PolarHBondContact O-N 2.96Å; V24-Y27 PolarHBondContact O-N 2.86Å; V24-C28 WeakPolarHBondContact O-CB 3.48Å; V24-C28 PolarHBondContact O-N 3.49Å; V24-C28 PolarHBondContact O-SG 2.75Å |
| 25 | L | 88 | Confident | 83.2 | Confident | 105 Ų | 105 | 88.3 Ų | 88.3 | 55% | 0.55 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 178.9 | -70.8 | 176.6 | 0 | 0 | 0 | 112.5 | I21 I22 Y27 C28 R29 | I21-L25 HydrophobicContact CG2-CD1 3.81Å; I21-L25 HydrophobicContact CG2-CG 4.24Å; I21-L25 WeakPolarHBondContact O-CB 3.3Å; I21-L25 VanDerWaalsContact O-CG 3.25Å; I21-L25 WeakPolarHBondContact O-CG 3.36Å; I21-L25 PolarHBondContact O-N 3.16Å; I22-L25 PolarHBondContact O-N 3.32Å; L25-Y27 VanDerWaalsContact C-N 3.35Å; L25-C28 PolarHBondContact O-N 2.75Å; L25-R29 WeakPolarHBondContact O-CB 3.29Å; L25-R29 WeakPolarHBondContact O-CG 2.87Å; L25-R29 PolarHBondContact O-N 3.33Å |
| 26 | C | 87.8 | Confident | 81.1 | Confident | 81 Ų | 81 | 89.4 Ų | 89.4 | 55% | 0.547 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | I22 A23 V24 R29 L30 | I22-C26 WeakPolarHBondContact O-CB 3.13Å; I22-C26 PolarHBondContact O-N 2.86Å; A23-C26 PolarHBondContact O-N 3.17Å; V24-C26 PolarHBondContact O-N 2.96Å; C26-R29 PolarHBondContact O-N 2.83Å; C26-L30 VanDerWaalsContact O-CB 3.29Å; C26-L30 WeakPolarHBondContact O-CB 3.49Å; C26-L30 PolarHBondContact O-N 3.48Å |
| 27 | Y | 82.9 | Confident | 78.9 | Confident | 81 Ų | 81 | 91.3 Ų | 91.3 | 32% | 0.318 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 177.5 | -176.7 | -112.9 | 0 | 0 | 0 | 112.2 | A23 V24 L25 R29 L30 Q31 C94 | A23-Y27 WeakPolarHBondContact O-CB 3.28Å; A23-Y27 PolarHBondContact O-N 2.87Å; V24-Y27 PolarHBondContact O-N 2.86Å; L25-Y27 VanDerWaalsContact C-N 3.35Å; Y27-R29 VanDerWaalsContact C-N 3.33Å; Y27-R29 PolarHBondContact O-N 3.07Å; Y27-L30 PolarHBondContact O-N 3.34Å; Y27-Q31 HydrophobicContact CD1-CG 4.48Å; Y27-Q31 VanDerWaalsContact CD1-NE2 3.28Å; Y27-Q31 HydrophobicContact CE1-CG 4.37Å; Y27-Q31 VanDerWaalsContact CZ-NE2 3.32Å; Y27-Q31 VanDerWaalsContact O-CB 3.3Å; Y27-Q31 WeakPolarHBondContact O-CB 3.45Å; Y27-Q31 VanDerWaalsContact O-CG 3.31Å; Y27-Q31 WeakPolarHBondContact O-CG 3.25Å; Y27-Q31 PolarHBondContact O-N 3.16Å; Y27-C94 WeakPolarHBondContact OH-CB 3.29Å; Y27-C94 PolarHBondContact OH-O 3.35Å |
| 28 | C | 80.1 | Confident | 76.7 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 173.5 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | V24 L25 Y32 | V24-C28 WeakPolarHBondContact O-CB 3.48Å; V24-C28 PolarHBondContact O-N 3.49Å; V24-C28 PolarHBondContact O-SG 2.75Å; L25-C28 PolarHBondContact O-N 2.75Å; C28-Y32 VanDerWaalsContact O-CB 3.3Å; C28-Y32 WeakPolarHBondContact O-CB 3.41Å; C28-Y32 PolarHBondContact O-N 2.87Å |
| 29 | R | 83.5 | Confident | 74.3 | Confident | 148 Ų | 148 | 90.5 Ų | 90.5 | 56% | 0.558 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.2 | -47.3 | 172.3 | -82.7 | -70.1 | -170.1 | 176.8 | 0.5 | 111 | L25 C26 Y27 Q31 Y32 Y33 | L25-R29 WeakPolarHBondContact O-CB 3.29Å; L25-R29 WeakPolarHBondContact O-CG 2.87Å; L25-R29 PolarHBondContact O-N 3.33Å; C26-R29 PolarHBondContact O-N 2.83Å; Y27-R29 VanDerWaalsContact C-N 3.33Å; Y27-R29 PolarHBondContact O-N 3.07Å; R29-Q31 VanDerWaalsContact C-N 3.3Å; R29-Q31 PolarHBondContact O-N 2.82Å; R29-Y32 CarbonylContact O-C 3.56Å; R29-Y32 WeakPolarHBondContact O-CA 3.39Å; R29-Y32 WeakPolarHBondContact O-CB 3.36Å; R29-Y32 PolarHBondContact O-N 3.43Å; R29-Y32 VanDerWaalsContact O-N 3.07Å; R29-Y33 HydrophobicContact CB-CD2 4.48Å; R29-Y33 HydrophobicContact CB-CE2 4.17Å; R29-Y33 WeakPolarHBondContact O-CD2 3.24Å; R29-Y33 PolarHBondContact O-N 2.98Å |
| 30 | L | 72.2 | Confident | 72 | Confident | 101 Ų | 101 | 88.4 Ų | 88.4 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.7 | -169.5 | 65.8 | 0 | 0 | 0 | 110.3 | C26 Y27 Y33 C34 | C26-L30 VanDerWaalsContact O-CB 3.29Å; C26-L30 WeakPolarHBondContact O-CB 3.49Å; C26-L30 PolarHBondContact O-N 3.48Å; Y27-L30 PolarHBondContact O-N 3.34Å; L30-Y33 CarbonylContact O-C 3.48Å; L30-Y33 PolarHBondContact O-N 3.27Å; L30-Y33 VanDerWaalsContact O-N 3.12Å; L30-C34 WeakPolarHBondContact O-CB 3.11Å; L30-C34 PolarHBondContact O-N 3.36Å; L30-C34 PolarHBondContact O-SG 2.91Å |
| 31 | Q | 66.4 | Low | 69.6 | Low | 50 Ų | 50 | 90.5 Ų | 90.5 | 23% | 0.234 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 170.7 | -78.1 | -159 | 58.4 | 0 | 0 | 112.7 | Y27 R29 Y33 C34 C35 C94 | Y27-Q31 HydrophobicContact CD1-CG 4.48Å; Y27-Q31 VanDerWaalsContact CD1-NE2 3.28Å; Y27-Q31 HydrophobicContact CE1-CG 4.37Å; Y27-Q31 VanDerWaalsContact CZ-NE2 3.32Å; Y27-Q31 VanDerWaalsContact O-CB 3.3Å; Y27-Q31 WeakPolarHBondContact O-CB 3.45Å; Y27-Q31 VanDerWaalsContact O-CG 3.31Å; Y27-Q31 WeakPolarHBondContact O-CG 3.25Å; Y27-Q31 PolarHBondContact O-N 3.16Å; R29-Q31 VanDerWaalsContact C-N 3.3Å; R29-Q31 PolarHBondContact O-N 2.82Å; Q31-Y33 PolarHBondContact O-N 2.77Å; Q31-C34 PolarHBondContact O-N 3.12Å; Q31-C35 WeakPolarHBondContact O-CB 3.38Å; Q31-C35 PolarHBondContact O-N 3.31Å; Q31-C35 PolarHBondContact O-SG 2.86Å; Q31-C94 WeakPolarHBondContact CG-SG 3.34Å |
| 32 | Y | 68.4 | Low | 67 | Low | 131 Ų | 131 | 94.3 Ų | 94.3 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | 173.6 | 177.3 | -95.7 | 0 | 0 | 0 | 111.3 | C28 R29 K36 | C28-Y32 VanDerWaalsContact O-CB 3.3Å; C28-Y32 WeakPolarHBondContact O-CB 3.41Å; C28-Y32 PolarHBondContact O-N 2.87Å; R29-Y32 CarbonylContact O-C 3.56Å; R29-Y32 WeakPolarHBondContact O-CA 3.39Å; R29-Y32 WeakPolarHBondContact O-CB 3.36Å; R29-Y32 PolarHBondContact O-N 3.43Å; R29-Y32 VanDerWaalsContact O-N 3.07Å; Y32-K36 HydrophobicContact CE1-CD 4.29Å; Y32-K36 WeakPolarHBondContact O-CB 3.5Å; Y32-K36 PolarHBondContact O-N 3.35Å |
| 33 | Y | 61.9 | Low | 64.9 | Low | 130 Ų | 130 | 96.9 Ų | 96.9 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -80.3 | -33.5 | 175 | -65.2 | -65.3 | 0 | 0 | 0 | 113.3 | R29 L30 Q31 K37 | R29-Y33 HydrophobicContact CB-CD2 4.48Å; R29-Y33 HydrophobicContact CB-CE2 4.17Å; R29-Y33 WeakPolarHBondContact O-CD2 3.24Å; R29-Y33 PolarHBondContact O-N 2.98Å; L30-Y33 CarbonylContact O-C 3.48Å; L30-Y33 PolarHBondContact O-N 3.27Å; L30-Y33 VanDerWaalsContact O-N 3.12Å; Q31-Y33 PolarHBondContact O-N 2.77Å; Y33-K37 WeakPolarHBondContact O-CB 3.46Å; Y33-K37 PolarHBondContact O-N 3.49Å |
| 34 | C | 61.4 | Low | 62.9 | Low | 43 Ų | 43 | 102.3 Ų | 102.3 | 29% | 0.291 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -55.4 | 175.1 | -69.7 | 0 | 0 | 0 | 0 | 109.2 | L30 Q31 K36 K37 D38 | L30-C34 WeakPolarHBondContact O-CB 3.11Å; L30-C34 PolarHBondContact O-N 3.36Å; L30-C34 PolarHBondContact O-SG 2.91Å; Q31-C34 PolarHBondContact O-N 3.12Å; C34-K36 VanDerWaalsContact C-N 3.29Å; C34-K36 PolarHBondContact O-N 3.37Å; C34-K37 CarbonylContact O-C 3.51Å; C34-K37 WeakPolarHBondContact O-CA 3.17Å; C34-K37 PolarHBondContact O-N 3.49Å; C34-D38 VanDerWaalsContact C-OD2 3.26Å; C34-D38 WeakPolarHBondContact O-CB 3.26Å; C34-D38 PolarHBondContact O-N 2.78Å |
| 35 | C | 55.4 | Low | 60.7 | Low | 49 Ų | 49 | 106.6 Ų | 106.6 | 33% | 0.331 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | Q31 K37 E39 | Q31-C35 WeakPolarHBondContact O-CB 3.38Å; Q31-C35 PolarHBondContact O-N 3.31Å; Q31-C35 PolarHBondContact O-SG 2.86Å; C35-K37 VanDerWaalsContact C-N 3.31Å; C35-K37 PolarHBondContact O-N 2.89Å; C35-E39 WeakPolarHBondContact O-CB 3.38Å; C35-E39 VanDerWaalsContact O-CG 3.25Å; C35-E39 WeakPolarHBondContact O-CG 3.29Å; C35-E39 PolarHBondContact O-N 2.97Å |
| 36 | K | 51.8 | Low | 58.5 | Low | 100 Ų | 100 | 110.4 Ų | 110.4 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.2 | -27.6 | 173.8 | -173 | 170.1 | -176.4 | 65.2 | 0 | 113.7 | Y32 C34 E39 S40 | Y32-K36 HydrophobicContact CE1-CD 4.29Å; Y32-K36 WeakPolarHBondContact O-CB 3.5Å; Y32-K36 PolarHBondContact O-N 3.35Å; C34-K36 VanDerWaalsContact C-N 3.29Å; C34-K36 PolarHBondContact O-N 3.37Å; K36-E39 WeakPolarHBondContact CA-OE1 3.46Å; K36-E39 IonicContact NZ-OE2 2.79Å; K36-E39 VanDerWaalsContact O-CG 3.25Å; K36-E39 WeakPolarHBondContact O-CG 3.32Å; K36-S40 WeakPolarHBondContact O-CB 3.29Å; K36-S40 PolarHBondContact O-N 2.94Å; K36-S40 PolarHBondContact O-OG 3.35Å |
| 37 | K | 50.6 | Low | 56.4 | Low | 116 Ų | 116 | 111 Ų | 111 | 50% | 0.504 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -83.7 | -42.2 | 177.7 | -174.6 | 171.1 | 167 | 173.1 | 0 | 110.8 | Y33 C34 C35 S40 E41 | Y33-K37 WeakPolarHBondContact O-CB 3.46Å; Y33-K37 PolarHBondContact O-N 3.49Å; C34-K37 CarbonylContact O-C 3.51Å; C34-K37 WeakPolarHBondContact O-CA 3.17Å; C34-K37 PolarHBondContact O-N 3.49Å; C35-K37 VanDerWaalsContact C-N 3.31Å; C35-K37 PolarHBondContact O-N 2.89Å; K37-S40 VanDerWaalsContact CA-OG 3.3Å; K37-S40 WeakPolarHBondContact CA-OG 3.44Å; K37-S40 CarbonylContact O-C 3.43Å; K37-S40 WeakPolarHBondContact O-CA 3.34Å; K37-S40 PolarHBondContact O-N 3.3Å; K37-S40 PolarHBondContact O-OG 2.81Å; K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 HydrophobicContact CG-CG 4.13Å; K37-E41 IonicContact NZ-OE1 3.7Å; K37-E41 PolarHBondContact NZ-OE1 3.48Å; K37-E41 WeakPolarHBondContact O-CB 3.49Å; K37-E41 WeakPolarHBondContact O-CG 3.23Å; K37-E41 PolarHBondContact O-N 3.45Å |
| 38 | D | 49.1 | Very low | 54.4 | Low | 67 Ų | 67 | 113.5 Ų | 113.5 | 36% | 0.358 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.8 | -44.3 | 172.5 | -67 | -51.3 | 0 | 0 | 0 | 110.5 | C34 S40 E41 E42 | C34-D38 VanDerWaalsContact C-OD2 3.26Å; C34-D38 WeakPolarHBondContact O-CB 3.26Å; C34-D38 PolarHBondContact O-N 2.78Å; D38-S40 PolarHBondContact O-N 3.45Å; D38-E41 PolarHBondContact O-N 3.27Å; D38-E42 PolarHBondContact O-N 3.47Å |
| 39 | E | 45.7 | Very low | 52.3 | Low | 120 Ų | 120 | 119.6 Ų | 119.6 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.3 | -20.1 | 173.6 | 74.1 | -172.1 | 62.2 | 0 | 0 | 113 | C35 K36 | C35-E39 WeakPolarHBondContact O-CB 3.38Å; C35-E39 VanDerWaalsContact O-CG 3.25Å; C35-E39 WeakPolarHBondContact O-CG 3.29Å; C35-E39 PolarHBondContact O-N 2.97Å; K36-E39 WeakPolarHBondContact CA-OE1 3.46Å; K36-E39 IonicContact NZ-OE2 2.79Å; K36-E39 VanDerWaalsContact O-CG 3.25Å; K36-E39 WeakPolarHBondContact O-CG 3.32Å |
| 40 | S | 46 | Very low | 50.6 | Low | 69 Ų | 69 | 116.1 Ų | 116.1 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -96.8 | -18.3 | 177.6 | 70.1 | 0 | 0 | 0 | 0 | 114.2 | K36 K37 D38 | K36-S40 WeakPolarHBondContact O-CB 3.29Å; K36-S40 PolarHBondContact O-N 2.94Å; K36-S40 PolarHBondContact O-OG 3.35Å; K37-S40 VanDerWaalsContact CA-OG 3.3Å; K37-S40 WeakPolarHBondContact CA-OG 3.44Å; K37-S40 CarbonylContact O-C 3.43Å; K37-S40 WeakPolarHBondContact O-CA 3.34Å; K37-S40 PolarHBondContact O-N 3.3Å; K37-S40 PolarHBondContact O-OG 2.81Å; D38-S40 PolarHBondContact O-N 3.45Å |
| 41 | E | 45.3 | Very low | 49.3 | Very low | 118 Ų | 118 | 116.7 Ų | 116.7 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -88.8 | -10 | 175.4 | -72.4 | -178.5 | 151.7 | 0 | 0 | 111.6 | K37 D38 | K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 HydrophobicContact CG-CG 4.13Å; K37-E41 IonicContact NZ-OE1 3.7Å; K37-E41 PolarHBondContact NZ-OE1 3.48Å; K37-E41 WeakPolarHBondContact O-CB 3.49Å; K37-E41 WeakPolarHBondContact O-CG 3.23Å; K37-E41 PolarHBondContact O-N 3.45Å; D38-E41 PolarHBondContact O-N 3.27Å |
| 42 | E | 40.5 | Very low | 48.3 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 80% | 0.804 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -86.1 | -6.8 | 172 | -79.3 | -173.5 | 143.2 | 0 | 0 | 114.7 | D38 | D38-E42 PolarHBondContact O-N 3.47Š|
| 43 | D | 48 | Very low | 46.9 | Very low | 143 Ų | 143 | 121.4 Ų | 121.4 | 77% | 0.765 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -98.2 | 7.1 | -176.9 | -147.4 | 20 | 0 | 0 | 0 | 113.8 | ||
| 44 | E | 46.9 | Very low | 46.2 | Very low | 173 Ų | 173 | 123.1 Ų | 123.1 | 81% | 0.808 | 64% | 0.638 | S | S | * | * | trans | -119.5 | 48 | -176.7 | -65.2 | -81.7 | 148.7 | 0 | 0 | 112.4 | ||||
| 45 | E | 43 | Very low | 45.3 | Very low | 177 Ų | 177 | 129.2 Ų | 129.2 | 83% | 0.827 | 67% | 0.667 | S | S | * | * | trans | -120 | 86.9 | 161.1 | -153.5 | 173.3 | 127.1 | 0 | 0 | 109.2 | P47 | E45-P47 WeakPolarHBondContact O-CD 3.35Š| ||
| 46 | E | 40.8 | Very low | 44.7 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | trans | -74.9 | 111.5 | 160.8 | -112.4 | -177.4 | 93.5 | 0 | 0 | 108.5 | ||||
| 47 | P | 45.3 | Very low | 44.5 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 61% | 0.61 | 70% | 0.702 | S | S | * | * | trans | -94.1 | 96.3 | 155.2 | 32 | -31.7 | 0 | 0 | 0 | 108.9 | E45 F49 | E45-P47 WeakPolarHBondContact O-CD 3.35Å; P47-F49 HydrophobicContact CB-CD2 4.17Å; P47-F49 PolarHBondContact O-N 3.42Å | ||
| 48 | D | 39.8 | Very low | 43.8 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -65.7 | 87.9 | 156.5 | -177.2 | 25.7 | 0 | 0 | 0 | 108.8 | ||||
| 49 | F | 37 | Very low | 43.3 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -116.1 | 88.8 | 153.9 | -74.5 | -78.1 | 0 | 0 | 0 | 107.6 | P47 | P47-F49 HydrophobicContact CB-CD2 4.17Å; P47-F49 PolarHBondContact O-N 3.42Å | ||
| 50 | A | 46.5 | Very low | 43.4 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | -50.2 | 147.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 51 | V | 45.7 | Very low | 42.8 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | 101.4 | 95.3 | 155.5 | -170.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 52 | H | 45.3 | Very low | 42.8 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 73% | 0.731 | 77% | 0.771 | S | S | * | * | trans | 87.5 | 87.3 | 148.7 | -57.6 | -27.7 | 0 | 0 | 0 | 120 | ||||
| 53 | S | 39.2 | Very low | 42.9 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | -150.8 | 101.1 | 123.5 | 56 | 0 | 0 | 0 | 0 | 110.7 | L55 | S53-L55 PolarHBondContact O-N 3Š| |||
| 54 | H | 47.9 | Very low | 42.7 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -55.8 | 110.9 | 167.7 | -72.8 | -97.1 | 0 | 0 | 0 | 110.5 | ||||
| 55 | L | 42.2 | Very low | 42.2 | Very low | 170 Ų | 170 | 144 Ų | 144 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -152 | 140.1 | 146 | -77.3 | -172.4 | 0 | 0 | 0 | 110.3 | S53 | S53-L55 PolarHBondContact O-N 3Š| ||
| 56 | P | 43 | Very low | 42.4 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -91.9 | 168.1 | -148.4 | 21.5 | -7.3 | 0 | 0 | 0 | 114.7 | L58 | P56-L58 PolarHBondContact O-N 3.36Š| ||
| 57 | P | 47.4 | Very low | 42.6 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -77.1 | 116 | -175.2 | 4.3 | 11.5 | 0 | 0 | 0 | 110.6 | H59 | P57-H59 PolarHBondContact O-N 3.5Å; P57-H59 VanDerWaalsContact O-N 3.08Å | ||
| 58 | L | 36 | Very low | 42.6 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | trans | -86.9 | 78.6 | 164.6 | -87.1 | 178 | 0 | 0 | 0 | 110.9 | P56 | P56-L58 PolarHBondContact O-N 3.36Š| ||
| 59 | H | 37.4 | Very low | 42.7 | Very low | 153 Ų | 153 | 139 Ų | 139 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -13.3 | 124.5 | 146.7 | -161.5 | -86.9 | 0 | 0 | 0 | 115.4 | P57 N61 | P57-H59 PolarHBondContact O-N 3.5Å; P57-H59 VanDerWaalsContact O-N 3.08Å; H59-N61 PolarHBondContact O-N 2.94Å | ||
| 60 | S | 47.8 | Very low | 43.1 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -34.5 | 121.2 | 155.5 | 175.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 61 | N | 34.7 | Very low | 42.7 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -146 | 118.8 | 149 | -139.6 | -94 | 0 | 0 | 0 | 114 | H59 | H59-N61 PolarHBondContact O-N 2.94Š| ||
| 62 | R | 44 | Very low | 42.4 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -61.9 | 130.8 | 166.7 | 176.6 | 172.5 | 97.3 | 170.4 | 6.4 | 110.9 | ||||
| 63 | N | 42.5 | Very low | 42.2 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | trans | 77.4 | 141.6 | 150.1 | -85.6 | -59.7 | 0 | 0 | 0 | 121.3 | ||||
| 64 | L | 43.7 | Very low | 42.6 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 88.8 | 98.2 | 153.8 | -64.8 | 140.6 | 0 | 0 | 0 | 118.2 | ||||
| 65 | V | 37.3 | Very low | 42 | Very low | 145 Ų | 145 | 141 Ų | 141 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | -136.5 | 128.7 | 127.8 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 66 | L | 48.3 | Very low | 41.5 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | -57.2 | 134.8 | -173.6 | -75.9 | 64 | 0 | 0 | 0 | 113.5 | ||||
| 67 | T | 44.4 | Very low | 41.3 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -126.1 | 118 | 146.6 | 156.5 | 0 | 0 | 0 | 0 | 107.9 | G69 | T67-G69 PolarHBondContact O-N 3.36Š| ||
| 68 | N | 44 | Very low | 40.8 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -63.3 | 123 | -175.8 | -67 | -82.3 | 0 | 0 | 0 | 111.8 | ||||
| 69 | G | 43.2 | Very low | 40.7 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | -158.4 | 138.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T67 | T67-G69 PolarHBondContact O-N 3.36Š| ||
| 70 | P | 45.6 | Very low | 40.6 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | trans | -77 | 135.7 | -161.8 | -10.5 | 27.8 | 0 | 0 | 0 | 113.9 | ||||
| 71 | A | 37.7 | Very low | 40.2 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | -14.6 | 133.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 72 | L | 39.4 | Very low | 40.4 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | -153.3 | 150 | 117.1 | -75.9 | -172.1 | 0 | 0 | 0 | 109.7 | |||||
| 73 | Y | 40 | Very low | 40.2 | Very low | 223 Ų | 223 | 137.2 Ų | 137.2 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -65.8 | 171.2 | -162.2 | -89.1 | -99.9 | 0 | 0 | 0 | 118.2 | ||||
| 74 | P | 48.4 | Very low | 40 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | trans | -99.7 | 145 | -161.9 | 37.6 | -29.9 | 0 | 0 | 0 | 113.5 | ||||
| 75 | T | 34.3 | Very low | 39.9 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -156 | 136.8 | 160.9 | -30.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 76 | A | 31.8 | Very low | 40.2 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | 76.9 | 96 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 77 | S | 39.4 | Very low | 40.1 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | 44.2 | 103.5 | 111.8 | -38.3 | 0 | 0 | 0 | 0 | 118 | |||||
| 78 | T | 36.5 | Very low | 40.1 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | 169.4 | 86.1 | 125.3 | 43.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 79 | S | 35.2 | Very low | 40.1 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -67.2 | 139.3 | 139.9 | 58.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 80 | F | 35.5 | Very low | 40.4 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | -173.8 | 146.7 | 64.3 | -171.8 | -108.8 | 0 | 0 | 0 | 108.9 | |||||
| 81 | S | 37.4 | Very low | 40.4 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 79.1 | 72.7 | 164 | -140.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 82 | Q | 38.9 | Very low | 41.1 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -75 | 129.4 | 141.5 | -77.4 | -164.8 | -16.7 | 0 | 0 | 109.5 | ||||
| 83 | K | 40.8 | Very low | 41.5 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 88.9 | 111.7 | 145.8 | -149.3 | 171 | -174.2 | 179.2 | 0 | 117.8 | ||||
| 84 | S | 37.8 | Very low | 41.9 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | trans | -142.2 | 130.7 | 132 | 82.2 | 0 | 0 | 0 | 0 | 111.2 | Q86 | S84-Q86 VanDerWaalsContact C-N 3.32Å; S84-Q86 PolarHBondContact O-N 3.35Å | ||
| 85 | P | 42.8 | Very low | 41.8 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | trans | -93.2 | 64.2 | 169 | 37 | -28.4 | 0 | 0 | 0 | 108.7 | ||||
| 86 | Q | 43.3 | Very low | 42.2 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | trans | -123.2 | 22.9 | -176.6 | -114.3 | 179.1 | 5.9 | 0 | 0 | 113.7 | S84 R88 | S84-Q86 VanDerWaalsContact C-N 3.32Å; S84-Q86 PolarHBondContact O-N 3.35Å; Q86-R88 PolarHBondContact O-N 2.97Å | ||
| 87 | A | 45.5 | Very low | 42.8 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | trans | -71.7 | 26.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 88 | R | 45.5 | Very low | 43 | Very low | 239 Ų | 239 | 133 Ų | 133 | 90% | 0.902 | 72% | 0.721 | S | S | * | * | trans | -138.9 | 52.9 | -178.5 | -73 | -171.1 | 179.8 | 159.9 | -0.4 | 112.9 | Q86 | Q86-R88 PolarHBondContact O-N 2.97Š| ||
| 89 | A | 43.2 | Very low | 43.6 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | trans | -143.9 | 88.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | C91 | A89-C91 PolarHBondContact O-N 2.91Š| ||
| 90 | L | 49.3 | Very low | 43.9 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -52.8 | 128.2 | 164.4 | -85.7 | 75 | 0 | 0 | 0 | 106.8 | R92 | L90-R92 PolarHBondContact O-N 3.3Å; L90-R92 VanDerWaalsContact O-N 3.16Å | ||
| 91 | C | 45.8 | Very low | 44.5 | Very low | 26 Ų | 26 | 126.3 Ų | 126.3 | 18% | 0.176 | 71% | 0.706 | C | S | . | * | trans | -46.5 | 122.3 | 175 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | A89 S93 C94 | A89-C91 PolarHBondContact O-N 2.91Å; C91-S93 PolarHBondContact O-N 2.88Å; C91-C94 HydrophobicContact CB-CB 4.13Å; C91-C94 VanDerWaalsContact O-CB 3.29Å; C91-C94 WeakPolarHBondContact O-CB 3.41Å; C91-C94 PolarHBondContact O-N 2.95Å; C91-C94 VanDerWaalsContact SG-SG 3.69Å | ||
| 92 | R | 52.4 | Low | 45 | Very low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -59.5 | -30.9 | -173.9 | -122.4 | 178.1 | -179.7 | 165.9 | -0.5 | 111.9 | L90 C94 S95 | L90-R92 PolarHBondContact O-N 3.3Å; L90-R92 VanDerWaalsContact O-N 3.16Å; R92-C94 PolarHBondContact O-N 3.22Å; R92-S95 PolarHBondContact O-OG 3.22Å |
| 93 | S | 47.2 | Very low | 45.3 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -70.2 | -13.4 | 176.2 | -65.5 | 0 | 0 | 0 | 0 | 114.5 | C91 | C91-S93 PolarHBondContact O-N 2.88Š|
| 94 | C | 48.2 | Very low | 45.4 | Very low | 18 Ų | 18 | 129.8 Ų | 129.8 | 12% | 0.122 | 71% | 0.713 | C | S | . | * | G | 310 helix | trans | -96 | -11.1 | -175.9 | -67.1 | 0 | 0 | 0 | 0 | 113.1 | Y27 Q31 C91 R92 H96 | Y27-C94 WeakPolarHBondContact OH-CB 3.29Å; Y27-C94 PolarHBondContact OH-O 3.35Å; Q31-C94 WeakPolarHBondContact CG-SG 3.34Å; C91-C94 HydrophobicContact CB-CB 4.13Å; C91-C94 VanDerWaalsContact O-CB 3.29Å; C91-C94 WeakPolarHBondContact O-CB 3.41Å; C91-C94 PolarHBondContact O-N 2.95Å; C91-C94 VanDerWaalsContact SG-SG 3.69Å; R92-C94 PolarHBondContact O-N 3.22Å; C94-H96 PolarHBondContact O-N 3.42Å; C94-H96 VanDerWaalsContact O-N 3.09Å |
| 95 | S | 48 | Very low | 45.5 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -5.3 | -179.7 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | R92 | R92-S95 PolarHBondContact O-OG 3.22Š|
| 96 | H | 42.4 | Very low | 45.3 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 28.3 | -174.5 | -144.9 | -65.6 | 0 | 0 | 0 | 114.8 | C94 | C94-H96 PolarHBondContact O-N 3.42Å; C94-H96 VanDerWaalsContact O-N 3.09Å |
| 97 | C | 43.9 | Very low | 45.3 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 64% | 0.635 | 71% | 0.714 | S | S | * | * | trans | -115.1 | 61.3 | 163.3 | -71.3 | 0 | 0 | 0 | 0 | 109.4 | P99 | C97-P99 WeakPolarHBondContact O-CD 3.19Š| ||
| 98 | E | 43.7 | Very low | 45.1 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 77% | 0.771 | 71% | 0.709 | S | S | * | * | trans | -70.9 | 111.8 | 159.2 | -174 | 94.8 | 114.9 | 0 | 0 | 106.7 | ||||
| 99 | P | 48 | Very low | 44.8 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | trans | -64.6 | 138.4 | 165.9 | 28.2 | -30.5 | 0 | 0 | 0 | 107.6 | C97 A101 | C97-P99 WeakPolarHBondContact O-CD 3.19Å; P99-A101 PolarHBondContact O-N 2.84Å | ||
| 100 | P | 41.8 | Very low | 44.6 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -58.1 | 109.1 | 179.8 | -19 | 29.6 | 0 | 0 | 0 | 109.6 | F102 | P100-F102 HydrophobicContact CB-CD2 4.13Å; P100-F102 PolarHBondContact O-N 3.5Å | ||
| 101 | A | 47.9 | Very low | 44.1 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 70% | 0.697 | S | S | * | * | trans | -73 | 76.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P99 | P99-A101 PolarHBondContact O-N 2.84Š| ||
| 102 | F | 47.6 | Very low | 43.6 | Very low | 172 Ų | 172 | 139 Ų | 139 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | -107.5 | 135.3 | 154.9 | -72.5 | -85.8 | 0 | 0 | 0 | 105.9 | P100 | P100-F102 HydrophobicContact CB-CD2 4.13Å; P100-F102 PolarHBondContact O-N 3.5Å | ||
| 103 | F | 45.2 | Very low | 43.3 | Very low | 210 Ų | 210 | 135.4 Ų | 135.4 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | 96.4 | 36.2 | -174 | -52.6 | -72.5 | 0 | 0 | 0 | 117.9 | ||||
| 104 | L | 44.7 | Very low | 43.5 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | trans | -115.3 | 71.3 | 143.2 | -100.6 | 167.8 | 0 | 0 | 0 | 108.2 | ||||
| 105 | Q | 38.1 | Very low | 43.3 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -121.9 | 81.3 | 162.8 | -163 | 155 | 10.4 | 0 | 0 | 106.7 | ||||
| 106 | E | 38.9 | Very low | 43 | Very low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -63.3 | 135.9 | 157 | -122.1 | 162.3 | 102.2 | 0 | 0 | 107.3 | P108 | E106-P108 WeakPolarHBondContact O-CD 3.35Š| ||
| 107 | P | 44.7 | Very low | 43.6 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | trans | -76.1 | 130.6 | -175.4 | 29.9 | -31.1 | 0 | 0 | 0 | 109.8 | E109 | P107-E109 PolarHBondContact O-N 2.87Š| ||
| 108 | P | 40.6 | Very low | 43.9 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -76 | 113.5 | 146.6 | 27.9 | -20.8 | 0 | 0 | 0 | 107 | E106 | E106-P108 WeakPolarHBondContact O-CD 3.35Š| ||
| 109 | E | 40.1 | Very low | 44.4 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | -20.3 | 146.3 | 144.8 | -33.6 | -74.7 | 144.3 | 0 | 0 | 112.5 | P107 | P107-E109 PolarHBondContact O-N 2.87Š| ||
| 110 | E | 37.6 | Very low | 44.7 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | 57 | 136.9 | 156.1 | 70.1 | -142.3 | 144.7 | 0 | 0 | 118 | ||||
| 111 | E | 38.5 | Very low | 44.9 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | cis | -178.5 | 157.1 | 5.5 | 163.1 | 170.2 | 164.4 | 0 | 0 | 103.1 | ||||
| 112 | E | 37 | Very low | 44.6 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | 70.7 | 107.8 | 162.4 | -77.4 | 170.7 | 118.3 | 0 | 0 | 120.2 | V114 | E112-V114 PolarHBondContact O-N 3.36Š| ||
| 113 | D | 45.2 | Very low | 44.1 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -28.7 | 122.6 | 138.4 | -63.2 | -85.1 | 0 | 0 | 0 | 112.1 | ||||
| 114 | V | 51.5 | Low | 43.6 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | 178.2 | 131.5 | 107.6 | -156.3 | 0 | 0 | 0 | 0 | 106.4 | E112 | E112-V114 PolarHBondContact O-N 3.36Š| |||
| 115 | L | 43 | Very low | 43.3 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 166.8 | 107.4 | 131.9 | -84.3 | 166.1 | 0 | 0 | 0 | 112.8 | ||||
| 116 | N | 41.5 | Very low | 43.3 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 23.3 | 127.7 | 141 | -79.6 | -63.1 | 0 | 0 | 0 | 122.4 | ||||
| 117 | G | 57 | Low | 43.3 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | 87.1 | 94.3 | 124.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 118 | G | 49 | Very low | 43 | Very low | 57 Ų | 57 | 147.7 Ų | 147.7 | 59% | 0.588 | 79% | 0.786 | S | S | * | * | trans | -175.8 | 78.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R120 | G118-R120 PolarHBondContact O-N 2.89Å; G118-R120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | E | 54.2 | Low | 42.9 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -52.6 | 111 | 167.8 | 175.8 | 175.9 | 158.2 | 0 | 0 | 110.9 | ||||
| 120 | R | 53.5 | Low | 42.7 | Very low | 220 Ų | 220 | 151 Ų | 151 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -149.5 | 100.2 | 162.2 | -65.9 | -164.6 | -99.3 | -83.3 | 4.7 | 111.7 | G118 | G118-R120 PolarHBondContact O-N 2.89Å; G118-R120 VanDerWaalsContact O-N 3.11Å | ||
| 121 | V | 47.8 | Very low | 42.9 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | 44.9 | 103.3 | 145 | -168 | 0 | 0 | 0 | 0 | 117.8 | Y123 | V121-Y123 HydrophobicContact CG1-CD2 4.44Å; V121-Y123 PolarHBondContact O-N 2.85Å | ||
| 122 | L | 40.4 | Very low | 42.7 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 98.7 | 165.3 | -178.1 | 74.1 | 0 | 0 | 0 | 110.3 | K124 | L122-K124 PolarHBondContact O-N 3.29Š| ||
| 123 | Y | 36.5 | Very low | 42.9 | Very low | 214 Ų | 214 | 149.3 Ų | 149.3 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -74.9 | 105.6 | 160.4 | -114.8 | -98 | 0 | 0 | 0 | 107.7 | V121 S125 | V121-Y123 HydrophobicContact CG1-CD2 4.44Å; V121-Y123 PolarHBondContact O-N 2.85Å; Y123-S125 VanDerWaalsContact C-N 3.32Å; Y123-S125 PolarHBondContact O-N 3.4Å | ||
| 124 | K | 36.4 | Very low | 42.6 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -65.2 | 94.9 | 172 | -133.4 | 175.7 | -177 | 168.4 | 0 | 107.5 | L122 V126 | L122-K124 PolarHBondContact O-N 3.29Å; K124-V126 PolarHBondContact O-N 3.05Å | ||
| 125 | S | 37 | Very low | 42.1 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -66.1 | 108.6 | 162.4 | 40.8 | 0 | 0 | 0 | 0 | 106.9 | Y123 S127 | Y123-S125 VanDerWaalsContact C-N 3.32Å; Y123-S125 PolarHBondContact O-N 3.4Å; S125-S127 PolarHBondContact O-N 3.44Å | ||
| 126 | V | 39.2 | Very low | 41.9 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -66.4 | 88.4 | 160 | 149 | 0 | 0 | 0 | 0 | 106.1 | K124 | K124-V126 PolarHBondContact O-N 3.05Š| ||
| 127 | S | 37.8 | Very low | 41.4 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -97 | 111.1 | 157.7 | -168 | 0 | 0 | 0 | 0 | 106.3 | S125 E129 | S125-S127 PolarHBondContact O-N 3.44Å; S127-E129 PolarHBondContact O-N 2.93Å | ||
| 128 | Q | 38.6 | Very low | 40.7 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -31.1 | 110.7 | 162.5 | 174.3 | 177.5 | 29.5 | 0 | 0 | 113.5 | ||||
| 129 | E | 38.7 | Very low | 40.6 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | 167 | 145.1 | 111.3 | 62.2 | -161.3 | 117.8 | 0 | 0 | 113.4 | S127 | S127-E129 PolarHBondContact O-N 2.93Š| |||
| 130 | D | 35.6 | Very low | 40.3 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | 100.5 | 112.5 | 156 | -136.3 | -122.8 | 0 | 0 | 0 | 121.1 | ||||
| 131 | V | 42.8 | Very low | 40 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 64% | 0.642 | 82% | 0.817 | S | S | * | * | trans | 63.8 | 98.1 | 146.9 | 178.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 132 | E | 32.8 | Very low | 39.9 | Very low | 179 Ų | 179 | 143 Ų | 143 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | 171.3 | 130.6 | 111.3 | -112.4 | 158.4 | 104.1 | 0 | 0 | 111.2 | |||||
| 133 | L | 42.8 | Very low | 40.3 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -62.2 | 146.8 | 172.7 | -77.1 | 152.7 | 0 | 0 | 0 | 111 | ||||
| 134 | P | 38.1 | Very low | 41.1 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | -141 | 166.8 | 117.3 | 31.9 | -14.4 | 0 | 0 | 0 | 114.7 | |||||
| 135 | A | 42.3 | Very low | 41.9 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -70.7 | 147.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 136 | G | 37.6 | Very low | 42.8 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 98.2 | 111 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 137 | G | 31.9 | Very low | 43.7 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 154.9 | 82.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 138 | F | 42.5 | Very low | 44.6 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 97% | 0.974 | 80% | 0.804 | S | S | * | * | trans | -59.7 | 139.7 | 171 | -87.9 | -104.6 | 0 | 0 | 0 | 112 | ||||
| 139 | G | 45.7 | Very low | 45.3 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -177.7 | 44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 140 | G | 48.1 | Very low | 46.2 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 90.8 | 83.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 141 | L | 47.1 | Very low | 47.2 | Very low | 181 Ų | 181 | 127 Ų | 127 | 95% | 0.948 | 77% | 0.767 | S | S | * | * | trans | -143.5 | 87.5 | 134.7 | -76.4 | -176.3 | 0 | 0 | 0 | 107.3 | A143 | L141-A143 PolarHBondContact O-N 3.44Š| ||
| 142 | Q | 46.9 | Very low | 47.9 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -55.5 | 129.9 | -179.8 | -171.1 | 178.2 | 64.1 | 0 | 0 | 110.5 | L144 | Q142-L144 PolarHBondContact O-N 3.19Š| ||
| 143 | A | 48.5 | Very low | 49.1 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -42.7 | 119.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L141 N145 | L141-A143 PolarHBondContact O-N 3.44Å; A143-N145 PolarHBondContact O-N 3.08Å | ||
| 144 | L | 52.2 | Low | 49.7 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | -67.5 | 118.6 | 167.4 | -69.3 | 175.2 | 0 | 0 | 0 | 108.6 | Q142 | Q142-L144 PolarHBondContact O-N 3.19Š| ||
| 145 | N | 54 | Low | 50.6 | Low | 107 Ų | 107 | 124.3 Ų | 124.3 | 57% | 0.572 | 74% | 0.736 | S | S | * | * | trans | -65.8 | 130 | -169.6 | -150.8 | -72.4 | 0 | 0 | 0 | 111.4 | A143 N147 R148 | A143-N145 PolarHBondContact O-N 3.08Å; N145-N147 PolarHBondContact O-N 3.04Å; N145-R148 PolarHBondContact O-N 3.42Å | ||
| 146 | P | 56.6 | Low | 51.1 | Low | 105 Ų | 105 | 127.6 Ų | 127.6 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -16.3 | -175.9 | 23.3 | -32.8 | 0 | 0 | 0 | 114.1 | R148 | P146-R148 VanDerWaalsContact C-N 3.32Å; P146-R148 PolarHBondContact O-N 3.08Å |
| 147 | N | 58 | Low | 51.9 | Low | 124 Ų | 124 | 127.5 Ų | 127.5 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -72.7 | -18.3 | 178.1 | -117.7 | -44.6 | 0 | 0 | 0 | 114.4 | N145 S150 | N145-N147 PolarHBondContact O-N 3.04Å; N147-S150 PolarHBondContact O-OG 3.22Å; N147-S150 VanDerWaalsContact O-OG 3.08Å |
| 148 | R | 56.1 | Low | 52.9 | Low | 218 Ų | 218 | 132.9 Ų | 132.9 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -83.2 | -25.9 | 176.9 | -84.5 | -158.6 | 168.1 | -165.8 | -1.5 | 113.7 | N145 P146 | N145-R148 PolarHBondContact O-N 3.42Å; P146-R148 VanDerWaalsContact C-N 3.32Å; P146-R148 PolarHBondContact O-N 3.08Å |
| 149 | L | 53.8 | Low | 53.5 | Low | 136 Ų | 136 | 126.9 Ų | 126.9 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -78.4 | -30.4 | 178.7 | -90.7 | 157.7 | 0 | 0 | 0 | 112.7 | R153 | L149-R153 PolarHBondContact O-N 3.43Å |
| 150 | S | 56.5 | Low | 54.2 | Low | 60 Ų | 60 | 134.5 Ų | 134.5 | 42% | 0.42 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -69 | -41.5 | 177.2 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | N147 M152 R153 E154 | N147-S150 PolarHBondContact O-OG 3.22Å; N147-S150 VanDerWaalsContact O-OG 3.08Å; S150-M152 VanDerWaalsContact C-N 3.3Å; S150-M152 PolarHBondContact O-N 3.14Å; S150-R153 PolarHBondContact O-N 3.17Å; S150-R153 VanDerWaalsContact O-N 3.17Å; S150-E154 PolarHBondContact O-N 3.35Å; S150-E154 VanDerWaalsContact O-N 3.14Å |
| 151 | A | 58 | Low | 54.4 | Low | 64 Ų | 64 | 136.9 Ų | 136.9 | 53% | 0.529 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -61.9 | -35.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A155 | A151-A155 PolarHBondContact O-N 3.32Å |
| 152 | M | 57.4 | Low | 54.9 | Low | 136 Ų | 136 | 136.2 Ų | 136.2 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -69.5 | -38.6 | 175.2 | -104.3 | -167.8 | 155.4 | 0 | 0 | 112.3 | S150 E154 F156 | S150-M152 VanDerWaalsContact C-N 3.3Å; S150-M152 PolarHBondContact O-N 3.14Å; M152-E154 VanDerWaalsContact C-N 3.32Å; M152-E154 PolarHBondContact O-N 3.42Å; M152-F156 WeakPolarHBondContact O-CD2 3.39Å |
| 153 | R | 57.4 | Low | 55.2 | Low | 211 Ų | 211 | 132.5 Ų | 132.5 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -65.2 | -36.3 | 177.2 | -177.5 | -178.9 | -72.7 | -99.5 | 1.4 | 112.1 | L149 S150 | L149-R153 PolarHBondContact O-N 3.43Å; S150-R153 PolarHBondContact O-N 3.17Å; S150-R153 VanDerWaalsContact O-N 3.17Å |
| 154 | E | 54.5 | Low | 55.9 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 53% | 0.528 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -76 | -28.2 | -177.4 | -162.2 | 172.1 | 156 | 0 | 0 | 113.3 | S150 M152 F156 A157 R158 | S150-E154 PolarHBondContact O-N 3.35Å; S150-E154 VanDerWaalsContact O-N 3.14Å; M152-E154 VanDerWaalsContact C-N 3.32Å; M152-E154 PolarHBondContact O-N 3.42Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 3.46Å; E154-A157 PolarHBondContact O-N 3.39Å; E154-R158 IonicContact OE1-CZ 3.49Å; E154-R158 IonicContact OE1-NH1 3.89Å; E154-R158 PolarHBondContact OE1-NH1 2.79Å; E154-R158 IonicContact OE1-NH2 3.67Å |
| 155 | A | 57.6 | Low | 55.9 | Low | 65 Ų | 65 | 133.4 Ų | 133.4 | 54% | 0.537 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -68.5 | -27.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A151 | A151-A155 PolarHBondContact O-N 3.32Å |
| 156 | F | 52.8 | Low | 55.5 | Low | 174 Ų | 174 | 137.9 Ų | 137.9 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -9.7 | 177.8 | -75.4 | -82.2 | 0 | 0 | 0 | 114.1 | M152 E154 | M152-F156 WeakPolarHBondContact O-CD2 3.39Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 3.46Å |
| 157 | A | 53.5 | Low | 55.4 | Low | 83 Ų | 83 | 139.5 Ų | 139.5 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -13 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | E154 | E154-A157 PolarHBondContact O-N 3.39Š|
| 158 | R | 54.7 | Low | 55.3 | Low | 187 Ų | 187 | 140.3 Ų | 140.3 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -87.9 | 1.1 | 180 | -89.7 | -176 | 175.3 | 87.9 | -0.9 | 114.9 | E154 | E154-R158 IonicContact OE1-CZ 3.49Å; E154-R158 IonicContact OE1-NH1 3.89Å; E154-R158 PolarHBondContact OE1-NH1 2.79Å; E154-R158 IonicContact OE1-NH2 3.67Å |
| 159 | S | 53.7 | Low | 55.2 | Low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -98.4 | 26.3 | -172.3 | -49.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 160 | R | 60.1 | Low | 55.3 | Low | 240 Ų | 240 | 136 Ų | 136 | 91% | 0.906 | 74% | 0.736 | S | S | * | * | trans | -140.8 | 85.6 | 172.1 | -79.1 | -171.1 | 174 | -179.5 | -1.5 | 112.5 | ||||
| 161 | S | 52.9 | Low | 55.2 | Low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -178.3 | 99.8 | 141.9 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 162 | I | 57.2 | Low | 55 | Low | 167 Ų | 167 | 145.9 Ų | 145.9 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -107 | 106.9 | 157.7 | -162.2 | 157.4 | 0 | 0 | 0 | 105.9 | ||||
| 163 | S | 54.4 | Low | 54.9 | Low | 111 Ų | 111 | 146.6 Ų | 146.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -89.7 | 119.1 | 170.6 | -170.3 | 0 | 0 | 0 | 0 | 106.5 | D165 | S163-D165 PolarHBondContact O-N 3.42Š| ||
| 164 | T | 63.2 | Low | 54.7 | Low | 124 Ų | 124 | 141.6 Ų | 141.6 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | -77 | 111.3 | 168.2 | 52.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 165 | D | 51.8 | Low | 54.7 | Low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -95.8 | 126.1 | 162.4 | -159.1 | -114.8 | 0 | 0 | 0 | 106.8 | S163 | S163-D165 PolarHBondContact O-N 3.42Š| ||
| 166 | V | 44.4 | Very low | 54.4 | Low | 201 Ų | 201 | 151.2 Ų | 151.2 | 100% | 1.218 | 82% | 0.822 | S | S | * | * | trans | -117.6 | 0 | 175.3 | 165.7 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 166 of 166 residues in 86.3 ms
(Link to these results)