| 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 | 60.6 | Low | 82.6 | Confident | 233 Ų | 233 | 92.5 Ų | 92.5 | 100% | 1.148 | 59% | 0.59 | S | S | * | * | 0 | 92.2 | 0 | -68.5 | 166.9 | 73.9 | 0 | 0 | 108 | |||||
| 2 | T | 70 | Confident | 83.7 | Confident | 111 Ų | 111 | 92.9 Ų | 92.9 | 68% | 0.681 | 58% | 0.582 | S | S | * | * | trans | -161.3 | -23.1 | -177.2 | 41.5 | 0 | 0 | 0 | 0 | 114.6 | T5 V6 | T2-T5 PolarHBondContact O-OG1 2.77Å; T2-V6 WeakPolarHBondContact O-CG2 3.44Å | ||
| 3 | A | 73.2 | Confident | 84.6 | Confident | 77 Ų | 77 | 94.2 Ų | 94.2 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.4 | -39.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V7 | A3-V7 WeakPolarHBondContact O-CG2 3.37Å |
| 4 | G | 80.8 | Confident | 85.4 | Confident | 45 Ų | 45 | 91.5 Ų | 91.5 | 46% | 0.464 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.2 | -37.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V7 I8 | G4-V7 PolarHBondContact O-N 3.45Å; G4-I8 WeakPolarHBondContact O-CD1 3.31Å; G4-I8 WeakPolarHBondContact O-CG1 3.08Å; G4-I8 PolarHBondContact O-N 3.16Å; G4-I8 VanDerWaalsContact O-N 3.1Å |
| 5 | T | 82.9 | Confident | 86.1 | Confident | 88 Ų | 88 | 90.5 Ų | 90.5 | 54% | 0.54 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.9 | -40.3 | -178.3 | 48.9 | 0 | 0 | 0 | 0 | 112 | T2 V7 I8 T9 | T2-T5 PolarHBondContact O-OG1 2.77Å; T5-V7 VanDerWaalsContact C-N 3.32Å; T5-V7 PolarHBondContact O-N 3.47Å; T5-I8 PolarHBondContact O-N 3Å; T5-T9 WeakPolarHBondContact O-CG2 3.3Å; T5-T9 PolarHBondContact O-N 3.13Å; T5-T9 PolarHBondContact O-OG1 2.96Å |
| 6 | V | 87.1 | Confident | 86.8 | Confident | 98 Ų | 98 | 89.9 Ų | 89.9 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.7 | -38.2 | 178.6 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | T2 T9 G10 | T2-V6 WeakPolarHBondContact O-CG2 3.44Å; V6-T9 WeakPolarHBondContact CA-OG1 2.98Å; V6-T9 PolarHBondContact O-OG1 2.84Å; V6-G10 WeakPolarHBondContact O-CA 2.99Å; V6-G10 PolarHBondContact O-N 2.83Å |
| 7 | V | 88.5 | Confident | 87.4 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 66% | 0.661 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.1 | -42.7 | 175.9 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | A3 G4 T5 G11 | A3-V7 WeakPolarHBondContact O-CG2 3.37Å; G4-V7 PolarHBondContact O-N 3.45Å; T5-V7 VanDerWaalsContact C-N 3.32Å; T5-V7 PolarHBondContact O-N 3.47Å; V7-G11 PolarHBondContact O-N 3.02Å |
| 8 | I | 89.9 | Confident | 87.8 | Confident | 110 Ų | 110 | 90.9 Ų | 90.9 | 56% | 0.564 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.7 | -49.2 | 178.7 | -65.3 | 163 | 0 | 0 | 0 | 110.3 | G4 T5 G11 I12 | G4-I8 WeakPolarHBondContact O-CD1 3.31Å; G4-I8 WeakPolarHBondContact O-CG1 3.08Å; G4-I8 PolarHBondContact O-N 3.16Å; G4-I8 VanDerWaalsContact O-N 3.1Å; T5-I8 PolarHBondContact O-N 3Å; I8-G11 PolarHBondContact O-N 2.94Å; I8-I12 HydrophobicContact CG2-CD1 3.92Å; I8-I12 WeakPolarHBondContact O-CD1 3.48Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.36Å; I8-I12 PolarHBondContact O-N 3.45Å |
| 9 | T | 91 | Very high | 88.3 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 47% | 0.466 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.4 | -40.6 | 178.4 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | T5 V6 I12 L13 | T5-T9 WeakPolarHBondContact O-CG2 3.3Å; T5-T9 PolarHBondContact O-N 3.13Å; T5-T9 PolarHBondContact O-OG1 2.96Å; V6-T9 WeakPolarHBondContact CA-OG1 2.98Å; V6-T9 PolarHBondContact O-OG1 2.84Å; T9-I12 PolarHBondContact O-N 3.31Å; T9-L13 WeakPolarHBondContact O-CB 3.26Å; T9-L13 VanDerWaalsContact O-CG 3.27Å; T9-L13 WeakPolarHBondContact O-CG 3.5Å; T9-L13 PolarHBondContact O-N 3.08Å |
| 10 | G | 91.8 | Very high | 88.6 | Confident | 36 Ų | 36 | 93.1 Ų | 93.1 | 37% | 0.371 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V6 L13 A14 | V6-G10 WeakPolarHBondContact O-CA 2.99Å; V6-G10 PolarHBondContact O-N 2.83Å; G10-L13 PolarHBondContact O-N 2.94Å; G10-A14 VanDerWaalsContact O-CB 3.31Å; G10-A14 WeakPolarHBondContact O-CB 3.31Å; G10-A14 PolarHBondContact O-N 3.22Å |
| 11 | G | 93.3 | Very high | 89 | Confident | 35 Ų | 35 | 92.7 Ų | 92.7 | 36% | 0.361 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.4 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V7 I8 A14 T15 | V7-G11 PolarHBondContact O-N 3.02Å; I8-G11 PolarHBondContact O-N 2.94Å; G11-A14 PolarHBondContact O-N 3.46Å; G11-T15 WeakPolarHBondContact O-CG2 3.32Å; G11-T15 PolarHBondContact O-N 3.21Å; G11-T15 PolarHBondContact O-OG1 2.78Å |
| 12 | I | 95.8 | Very high | 90.7 | Very high | 97 Ų | 97 | 85.9 Ų | 85.9 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.6 | -65.3 | 163.1 | 0 | 0 | 0 | 110.8 | I8 T9 A14 T15 V16 | I8-I12 HydrophobicContact CG2-CD1 3.92Å; I8-I12 WeakPolarHBondContact O-CD1 3.48Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.36Å; I8-I12 PolarHBondContact O-N 3.45Å; T9-I12 PolarHBondContact O-N 3.31Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 3.04Å; I12-T15 PolarHBondContact O-N 3Å; I12-T15 PolarHBondContact O-OG1 2.73Å; I12-V16 HydrophobicContact CG2-CG2 4.33Å; I12-V16 WeakPolarHBondContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.01Å; I12-V16 PolarHBondContact O-N 3.05Å |
| 13 | L | 95.3 | Very high | 91.6 | Very high | 109 Ų | 109 | 83.3 Ų | 83.3 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 176.7 | -70.7 | 170.8 | 0 | 0 | 0 | 111.2 | T9 G10 T15 V16 I17 | T9-L13 WeakPolarHBondContact O-CB 3.26Å; T9-L13 VanDerWaalsContact O-CG 3.27Å; T9-L13 WeakPolarHBondContact O-CG 3.5Å; T9-L13 PolarHBondContact O-N 3.08Å; G10-L13 PolarHBondContact O-N 2.94Å; L13-T15 PolarHBondContact O-N 3.41Å; L13-V16 PolarHBondContact O-N 3.18Å; L13-I17 WeakPolarHBondContact O-CB 3.39Å; L13-I17 WeakPolarHBondContact O-CD1 2.98Å; L13-I17 WeakPolarHBondContact O-CG1 3.29Å; L13-I17 PolarHBondContact O-N 3.22Å |
| 14 | A | 95.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 83.2 Ų | 83.2 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 G11 I12 L18 | G10-A14 VanDerWaalsContact O-CB 3.31Å; G10-A14 WeakPolarHBondContact O-CB 3.31Å; G10-A14 PolarHBondContact O-N 3.22Å; G11-A14 PolarHBondContact O-N 3.46Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 3.04Å; A14-L18 WeakPolarHBondContact O-CB 3.09Å; A14-L18 PolarHBondContact O-N 3.08Å |
| 15 | T | 96 | Very high | 93 | Very high | 77 Ų | 77 | 86.2 Ų | 86.2 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 177.5 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | G11 I12 L13 L18 L19 | G11-T15 WeakPolarHBondContact O-CG2 3.32Å; G11-T15 PolarHBondContact O-N 3.21Å; G11-T15 PolarHBondContact O-OG1 2.78Å; I12-T15 PolarHBondContact O-N 3Å; I12-T15 PolarHBondContact O-OG1 2.73Å; L13-T15 PolarHBondContact O-N 3.41Å; T15-L18 PolarHBondContact O-N 2.75Å; T15-L19 WeakPolarHBondContact O-CB 3.26Å; T15-L19 VanDerWaalsContact O-CG 3.24Å; T15-L19 WeakPolarHBondContact O-CG 3.17Å; T15-L19 PolarHBondContact O-N 3.4Å |
| 16 | V | 97 | Very high | 93.3 | Very high | 81 Ų | 81 | 86 Ų | 86 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | I12 L13 L19 L20 | I12-V16 HydrophobicContact CG2-CG2 4.33Å; I12-V16 WeakPolarHBondContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.01Å; I12-V16 PolarHBondContact O-N 3.05Å; L13-V16 PolarHBondContact O-N 3.18Å; V16-L19 PolarHBondContact O-N 3.04Å; V16-L20 WeakPolarHBondContact O-CB 3.46Å; V16-L20 PolarHBondContact O-N 2.88Å |
| 17 | I | 96.5 | Very high | 93.3 | Very high | 99 Ų | 99 | 85.8 Ų | 85.8 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 177 | -67.7 | 163.6 | 0 | 0 | 0 | 110.6 | L13 L19 L20 I21 | L13-I17 WeakPolarHBondContact O-CB 3.39Å; L13-I17 WeakPolarHBondContact O-CD1 2.98Å; L13-I17 WeakPolarHBondContact O-CG1 3.29Å; L13-I17 PolarHBondContact O-N 3.22Å; I17-L19 PolarHBondContact O-N 3.18Å; I17-L20 PolarHBondContact O-N 2.66Å; I17-I21 HydrophobicContact CG2-CD1 3.95Å; I17-I21 WeakPolarHBondContact O-CG1 3.48Å; I17-I21 PolarHBondContact O-N 3.42Å |
| 18 | L | 96.1 | Very high | 93 | Very high | 99 Ų | 99 | 83.7 Ų | 83.7 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.9 | -179.9 | 65.1 | 0 | 0 | 0 | 111.8 | A14 T15 L20 I21 I22 | A14-L18 WeakPolarHBondContact O-CB 3.09Å; A14-L18 PolarHBondContact O-N 3.08Å; T15-L18 PolarHBondContact O-N 2.75Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 3.34Å; L18-I21 PolarHBondContact O-N 3.4Å; L18-I22 HydrophobicContact CD1-CD1 4.17Å; L18-I22 HydrophobicContact CD1-CG1 4.48Å; L18-I22 HydrophobicContact CG-CD1 3.95Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 2.79Å |
| 19 | L | 95.8 | Very high | 92.9 | Very high | 113 Ų | 113 | 85.5 Ų | 85.5 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.5 | -39.1 | 177 | -73.3 | 173.6 | 0 | 0 | 0 | 111.5 | T15 V16 I17 I22 A23 | T15-L19 WeakPolarHBondContact O-CB 3.26Å; T15-L19 VanDerWaalsContact O-CG 3.24Å; T15-L19 WeakPolarHBondContact O-CG 3.17Å; T15-L19 PolarHBondContact O-N 3.4Å; V16-L19 PolarHBondContact O-N 3.04Å; I17-L19 PolarHBondContact O-N 3.18Å; L19-I22 PolarHBondContact O-N 3.12Å; L19-A23 WeakPolarHBondContact O-CB 3.48Å; L19-A23 PolarHBondContact O-N 3.18Å |
| 20 | L | 95.9 | Very high | 92.2 | Very high | 112 Ų | 112 | 86.6 Ų | 86.6 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 176.2 | -172.5 | 134.7 | 0 | 0 | 0 | 111.6 | V16 I17 L18 A23 V24 | V16-L20 WeakPolarHBondContact O-CB 3.46Å; V16-L20 PolarHBondContact O-N 2.88Å; I17-L20 PolarHBondContact O-N 2.66Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 3.34Å; L20-A23 PolarHBondContact O-N 2.96Å; L20-V24 HydrophobicContact CD2-CG2 4.46Å; L20-V24 WeakPolarHBondContact O-CB 3.22Å; L20-V24 VanDerWaalsContact O-CG2 3.26Å; L20-V24 WeakPolarHBondContact O-CG2 3.15Å; L20-V24 PolarHBondContact O-N 3.17Å |
| 21 | I | 95.8 | Very high | 91.3 | Very high | 84 Ų | 84 | 87.8 Ų | 87.8 | 43% | 0.431 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 175.3 | -65.8 | 165.3 | 0 | 0 | 0 | 110.5 | I17 L18 A23 V24 L25 | I17-I21 HydrophobicContact CG2-CD1 3.95Å; I17-I21 WeakPolarHBondContact O-CG1 3.48Å; I17-I21 PolarHBondContact O-N 3.42Å; L18-I21 PolarHBondContact O-N 3.4Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-A23 PolarHBondContact O-N 3.47Å; I21-V24 PolarHBondContact O-N 2.74Å; I21-L25 HydrophobicContact CG2-CD1 3.87Å; I21-L25 HydrophobicContact CG2-CG 4.28Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 VanDerWaalsContact O-CG 3.26Å; I21-L25 WeakPolarHBondContact O-CG 3.3Å; I21-L25 PolarHBondContact O-N 2.72Å |
| 22 | I | 95.6 | Very high | 90.5 | Very high | 91 Ų | 91 | 92.1 Ų | 92.1 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 178.2 | -66.4 | 167.6 | 0 | 0 | 0 | 110.7 | L18 L19 L25 C26 | L18-I22 HydrophobicContact CD1-CD1 4.17Å; L18-I22 HydrophobicContact CD1-CG1 4.48Å; L18-I22 HydrophobicContact CG-CD1 3.95Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 2.79Å; L19-I22 PolarHBondContact O-N 3.12Å; I22-L25 PolarHBondContact O-N 3.17Å; I22-C26 WeakPolarHBondContact O-CB 3.28Å; I22-C26 PolarHBondContact O-N 3.39Å |
| 23 | A | 90.6 | Very high | 89.2 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L19 L20 I21 C26 Y27 | L19-A23 WeakPolarHBondContact O-CB 3.48Å; L19-A23 PolarHBondContact O-N 3.18Å; L20-A23 PolarHBondContact O-N 2.96Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-A23 PolarHBondContact O-N 3.47Å; A23-C26 PolarHBondContact O-N 3.1Å; A23-Y27 WeakPolarHBondContact O-CB 3.35Å; A23-Y27 PolarHBondContact O-N 2.73Å |
| 24 | V | 92.9 | Very high | 87.8 | Confident | 74 Ų | 74 | 90.2 Ų | 90.2 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 111 | L20 I21 C26 Y27 C28 | L20-V24 HydrophobicContact CD2-CG2 4.46Å; L20-V24 WeakPolarHBondContact O-CB 3.22Å; L20-V24 VanDerWaalsContact O-CG2 3.26Å; L20-V24 WeakPolarHBondContact O-CG2 3.15Å; L20-V24 PolarHBondContact O-N 3.17Å; I21-V24 PolarHBondContact O-N 2.74Å; V24-C26 PolarHBondContact O-N 3.44Å; V24-Y27 PolarHBondContact O-N 3.26Å; V24-C28 WeakPolarHBondContact O-CB 3.14Å; V24-C28 PolarHBondContact O-N 3.02Å; V24-C28 PolarHBondContact O-SG 3.46Å |
| 25 | L | 89.8 | Confident | 86.2 | Confident | 108 Ų | 108 | 90.1 Ų | 90.1 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 178.2 | -70.6 | 175.7 | 0 | 0 | 0 | 112.4 | I21 I22 Y27 C28 R29 | I21-L25 HydrophobicContact CG2-CD1 3.87Å; I21-L25 HydrophobicContact CG2-CG 4.28Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 VanDerWaalsContact O-CG 3.26Å; I21-L25 WeakPolarHBondContact O-CG 3.3Å; I21-L25 PolarHBondContact O-N 2.72Å; I22-L25 PolarHBondContact O-N 3.17Å; L25-Y27 VanDerWaalsContact C-N 3.34Å; L25-C28 PolarHBondContact O-N 3.18Å; L25-R29 WeakPolarHBondContact O-CB 3.34Å; L25-R29 WeakPolarHBondContact O-CG 3.43Å; L25-R29 PolarHBondContact O-N 3.16Å |
| 26 | C | 89.6 | Confident | 84.2 | Confident | 83 Ų | 83 | 92.4 Ų | 92.4 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 175.1 | -175 | 0 | 0 | 0 | 0 | 110.4 | I22 A23 V24 R29 L30 | I22-C26 WeakPolarHBondContact O-CB 3.28Å; I22-C26 PolarHBondContact O-N 3.39Å; A23-C26 PolarHBondContact O-N 3.1Å; V24-C26 PolarHBondContact O-N 3.44Å; C26-R29 PolarHBondContact O-N 2.71Å; C26-L30 VanDerWaalsContact O-CB 3.28Å; C26-L30 WeakPolarHBondContact O-CB 3.26Å; C26-L30 PolarHBondContact O-N 3.09Å |
| 27 | Y | 86 | Confident | 82 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 37% | 0.373 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 177.6 | -176.6 | -112.9 | 0 | 0 | 0 | 112.3 | A23 V24 L25 R29 L30 Q31 C100 | A23-Y27 WeakPolarHBondContact O-CB 3.35Å; A23-Y27 PolarHBondContact O-N 2.73Å; V24-Y27 PolarHBondContact O-N 3.26Å; L25-Y27 VanDerWaalsContact C-N 3.34Å; Y27-R29 VanDerWaalsContact C-N 3.34Å; Y27-L30 PolarHBondContact O-N 3.33Å; Y27-Q31 HydrophobicContact CD1-CG 4.49Å; Y27-Q31 HydrophobicContact CE1-CG 4.27Å; Y27-Q31 HydrophobicContact CE2-CG 4.39Å; Y27-Q31 VanDerWaalsContact O-CB 3.31Å; Y27-Q31 WeakPolarHBondContact O-CB 3.45Å; Y27-Q31 WeakPolarHBondContact O-CG 3.37Å; Y27-Q31 PolarHBondContact O-N 3.01Å; Y27-C100 VanDerWaalsContact OH-CA 3.26Å; Y27-C100 WeakPolarHBondContact OH-CA 2.88Å; Y27-C100 WeakPolarHBondContact OH-CB 3.34Å; Y27-C100 PolarHBondContact OH-O 3.4Å; Y27-C100 PolarHBondContact OH-SG 3.37Å |
| 28 | C | 82.6 | Confident | 79.8 | Confident | 65 Ų | 65 | 94.8 Ų | 94.8 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 173.7 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | V24 L25 Y32 | V24-C28 WeakPolarHBondContact O-CB 3.14Å; V24-C28 PolarHBondContact O-N 3.02Å; V24-C28 PolarHBondContact O-SG 3.46Å; L25-C28 PolarHBondContact O-N 3.18Å; C28-Y32 VanDerWaalsContact O-CB 3.3Å; C28-Y32 WeakPolarHBondContact O-CB 3.35Å; C28-Y32 PolarHBondContact O-N 2.75Å |
| 29 | R | 87.6 | Confident | 77.3 | Confident | 147 Ų | 147 | 95 Ų | 95 | 56% | 0.555 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.9 | -47.6 | 172.3 | -84 | -68.8 | -166.4 | 178.5 | 1.2 | 110.8 | L25 C26 Y27 Q31 Y32 Y33 | L25-R29 WeakPolarHBondContact O-CB 3.34Å; L25-R29 WeakPolarHBondContact O-CG 3.43Å; L25-R29 PolarHBondContact O-N 3.16Å; C26-R29 PolarHBondContact O-N 2.71Å; Y27-R29 VanDerWaalsContact C-N 3.34Å; R29-Q31 VanDerWaalsContact C-N 3.33Å; R29-Q31 PolarHBondContact O-N 3.22Å; R29-Y32 CarbonylContact O-C 3.57Å; R29-Y32 WeakPolarHBondContact O-CA 3.46Å; R29-Y32 WeakPolarHBondContact O-CB 3.27Å; R29-Y32 PolarHBondContact O-N 2.75Å; R29-Y32 VanDerWaalsContact O-N 3.08Å; R29-Y33 HydrophobicContact CB-CD2 4.41Å; R29-Y33 HydrophobicContact CB-CE2 4.11Å; R29-Y33 WeakPolarHBondContact O-CD2 3.43Å; R29-Y33 PolarHBondContact O-N 3.48Å |
| 30 | L | 77 | Confident | 74.7 | Confident | 99 Ų | 99 | 93 Ų | 93 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 178.1 | -171.2 | 65 | 0 | 0 | 0 | 110.4 | C26 Y27 Y32 Y33 C34 | C26-L30 VanDerWaalsContact O-CB 3.28Å; C26-L30 WeakPolarHBondContact O-CB 3.26Å; C26-L30 PolarHBondContact O-N 3.09Å; Y27-L30 PolarHBondContact O-N 3.33Å; L30-Y32 PolarHBondContact O-N 3.48Å; L30-Y33 CarbonylContact O-C 3.58Å; L30-Y33 PolarHBondContact O-N 2.81Å; L30-Y33 VanDerWaalsContact O-N 3.16Å; L30-C34 VanDerWaalsContact O-CB 3.31Å; L30-C34 WeakPolarHBondContact O-CB 3.22Å; L30-C34 PolarHBondContact O-N 3.26Å; L30-C34 PolarHBondContact O-SG 3.47Å |
| 31 | Q | 73.2 | Confident | 72.1 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 29% | 0.29 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 171 | -80.7 | -159.7 | 66.9 | 0 | 0 | 112.2 | Y27 R29 Y33 C34 C35 C100 | Y27-Q31 HydrophobicContact CD1-CG 4.49Å; Y27-Q31 HydrophobicContact CE1-CG 4.27Å; Y27-Q31 HydrophobicContact CE2-CG 4.39Å; Y27-Q31 VanDerWaalsContact O-CB 3.31Å; Y27-Q31 WeakPolarHBondContact O-CB 3.45Å; Y27-Q31 WeakPolarHBondContact O-CG 3.37Å; Y27-Q31 PolarHBondContact O-N 3.01Å; R29-Q31 VanDerWaalsContact C-N 3.33Å; R29-Q31 PolarHBondContact O-N 3.22Å; Q31-Y33 VanDerWaalsContact C-N 3.28Å; Q31-Y33 PolarHBondContact O-N 3.32Å; Q31-C34 PolarHBondContact O-N 3.21Å; Q31-C35 WeakPolarHBondContact O-CB 3.46Å; Q31-C35 PolarHBondContact O-N 3.17Å; Q31-C35 PolarHBondContact O-SG 3.43Å; Q31-C100 WeakPolarHBondContact CG-SG 3.43Å |
| 32 | Y | 75 | Confident | 69.3 | Low | 126 Ų | 126 | 93.6 Ų | 93.6 | 49% | 0.494 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 174.6 | 176 | -97.5 | 0 | 0 | 0 | 111.8 | C28 R29 L30 K36 | C28-Y32 VanDerWaalsContact O-CB 3.3Å; C28-Y32 WeakPolarHBondContact O-CB 3.35Å; C28-Y32 PolarHBondContact O-N 2.75Å; R29-Y32 CarbonylContact O-C 3.57Å; R29-Y32 WeakPolarHBondContact O-CA 3.46Å; R29-Y32 WeakPolarHBondContact O-CB 3.27Å; R29-Y32 PolarHBondContact O-N 2.75Å; R29-Y32 VanDerWaalsContact O-N 3.08Å; L30-Y32 PolarHBondContact O-N 3.48Å; Y32-K36 HydrophobicContact CE1-CD 4.34Å; Y32-K36 WeakPolarHBondContact O-CB 3.44Å; Y32-K36 PolarHBondContact O-N 3.33Å |
| 33 | Y | 69.9 | Low | 66.9 | Low | 130 Ų | 130 | 97.7 Ų | 97.7 | 51% | 0.51 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76 | -38.2 | 176.2 | -67.1 | -65.3 | 0 | 0 | 0 | 112.9 | R29 L30 Q31 K37 | R29-Y33 HydrophobicContact CB-CD2 4.41Å; R29-Y33 HydrophobicContact CB-CE2 4.11Å; R29-Y33 WeakPolarHBondContact O-CD2 3.43Å; R29-Y33 PolarHBondContact O-N 3.48Å; L30-Y33 CarbonylContact O-C 3.58Å; L30-Y33 PolarHBondContact O-N 2.81Å; L30-Y33 VanDerWaalsContact O-N 3.16Å; Q31-Y33 VanDerWaalsContact C-N 3.28Å; Q31-Y33 PolarHBondContact O-N 3.32Å; Y33-K37 WeakPolarHBondContact O-CA 3.38Å; Y33-K37 WeakPolarHBondContact O-CB 3.16Å; Y33-K37 PolarHBondContact O-N 3.28Å |
| 34 | C | 65.8 | Low | 64.7 | Low | 35 Ų | 35 | 102.8 Ų | 102.8 | 24% | 0.236 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.8 | -54.2 | 175.6 | -69.5 | 0 | 0 | 0 | 0 | 109.6 | L30 Q31 K36 K37 E38 | L30-C34 VanDerWaalsContact O-CB 3.31Å; L30-C34 WeakPolarHBondContact O-CB 3.22Å; L30-C34 PolarHBondContact O-N 3.26Å; L30-C34 PolarHBondContact O-SG 3.47Å; Q31-C34 PolarHBondContact O-N 3.21Å; C34-K36 VanDerWaalsContact C-N 3.32Å; C34-K36 PolarHBondContact O-N 2.83Å; C34-K37 CarbonylContact O-C 3.55Å; C34-K37 PolarHBondContact O-N 3.08Å; C34-K37 VanDerWaalsContact O-N 3.09Å; C34-E38 WeakPolarHBondContact O-CB 3.4Å; C34-E38 WeakPolarHBondContact O-CG 3.35Å; C34-E38 PolarHBondContact O-N 3.11Å |
| 35 | C | 60.8 | Low | 62.1 | Low | 55 Ų | 55 | 107.7 Ų | 107.7 | 37% | 0.372 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 178 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | Q31 E39 | Q31-C35 WeakPolarHBondContact O-CB 3.46Å; Q31-C35 PolarHBondContact O-N 3.17Å; Q31-C35 PolarHBondContact O-SG 3.43Å; C35-E39 VanDerWaalsContact O-CB 3.3Å; C35-E39 WeakPolarHBondContact O-CB 3.24Å; C35-E39 PolarHBondContact O-N 2.81Å |
| 36 | K | 54.3 | Low | 59.4 | Low | 125 Ų | 125 | 110.3 Ų | 110.3 | 54% | 0.543 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 173.3 | -178.2 | 169.6 | 175 | 157.6 | 0 | 112.5 | Y32 C34 S40 | Y32-K36 HydrophobicContact CE1-CD 4.34Å; Y32-K36 WeakPolarHBondContact O-CB 3.44Å; Y32-K36 PolarHBondContact O-N 3.33Å; C34-K36 VanDerWaalsContact C-N 3.32Å; C34-K36 PolarHBondContact O-N 2.83Å; K36-S40 PolarHBondContact O-N 3.5Å; K36-S40 PolarHBondContact O-OG 2.76Å |
| 37 | K | 50.6 | Low | 57.3 | Low | 130 Ų | 130 | 111.8 Ų | 111.8 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.1 | -41.5 | 177.5 | -176.1 | -176.1 | 167.9 | -170.1 | 0 | 111.4 | Y33 C34 E39 S40 E41 | Y33-K37 WeakPolarHBondContact O-CA 3.38Å; Y33-K37 WeakPolarHBondContact O-CB 3.16Å; Y33-K37 PolarHBondContact O-N 3.28Å; C34-K37 CarbonylContact O-C 3.55Å; C34-K37 PolarHBondContact O-N 3.08Å; C34-K37 VanDerWaalsContact O-N 3.09Å; K37-E39 VanDerWaalsContact C-N 3.33Å; K37-S40 VanDerWaalsContact CA-OG 3.29Å; K37-S40 WeakPolarHBondContact CA-OG 3.46Å; K37-S40 CarbonylContact O-C 3.51Å; K37-S40 PolarHBondContact O-N 3.35Å; K37-S40 VanDerWaalsContact O-N 3.12Å; K37-S40 PolarHBondContact O-OG 2.87Å; K37-E41 WeakPolarHBondContact CE-OE2 3.33Å; K37-E41 WeakPolarHBondContact O-CB 3.25Å; K37-E41 PolarHBondContact O-N 2.85Å |
| 38 | E | 50.1 | Low | 55.1 | Low | 100 Ų | 100 | 113 Ų | 113 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.9 | -36.6 | 176.8 | -59.6 | -98.6 | 160.4 | 0 | 0 | 110.2 | C34 S40 E41 S42 | C34-E38 WeakPolarHBondContact O-CB 3.4Å; C34-E38 WeakPolarHBondContact O-CG 3.35Å; C34-E38 PolarHBondContact O-N 3.11Å; E38-S40 VanDerWaalsContact C-N 3.32Å; E38-S40 PolarHBondContact O-N 3.47Å; E38-E41 PolarHBondContact O-N 3.25Å; E38-S42 VanDerWaalsContact O-CB 3.31Å; E38-S42 WeakPolarHBondContact O-CB 3.4Å; E38-S42 PolarHBondContact O-N 2.96Å; E38-S42 PolarHBondContact O-OG 3.47Å |
| 39 | E | 44.1 | Very low | 53 | Low | 104 Ų | 104 | 119.5 Ų | 119.5 | 49% | 0.486 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.6 | -38.1 | 170.1 | -171.7 | 168.1 | 169.5 | 0 | 0 | 111.4 | C35 K37 S42 R92 | C35-E39 VanDerWaalsContact O-CB 3.3Å; C35-E39 WeakPolarHBondContact O-CB 3.24Å; C35-E39 PolarHBondContact O-N 2.81Å; K37-E39 VanDerWaalsContact C-N 3.33Å; E39-S42 PolarHBondContact O-OG 3.34Å; E39-R92 IonicContact OE1-CZ 3.73Å; E39-R92 IonicContact OE1-NH1 3.78Å; E39-R92 IonicContact OE1-NH2 2.75Å; E39-R92 PolarHBondContact OE1-NH2 3.41Å; E39-R92 IonicContact OE2-CZ 3.64Å; E39-R92 IonicContact OE2-NH1 3.44Å; E39-R92 PolarHBondContact OE2-NH1 2.82Å; E39-R92 IonicContact OE2-NH2 3.08Å; E39-R92 PolarHBondContact OE2-NH2 2.94Å; E39-R92 VanDerWaalsContact OE2-NH2 3.08Å |
| 40 | S | 42.2 | Very low | 50.7 | Low | 70 Ų | 70 | 117 Ų | 117 | 49% | 0.49 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.8 | -26.3 | 176.1 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | K36 K37 E38 | K36-S40 PolarHBondContact O-N 3.5Å; K36-S40 PolarHBondContact O-OG 2.76Å; K37-S40 VanDerWaalsContact CA-OG 3.29Å; K37-S40 WeakPolarHBondContact CA-OG 3.46Å; K37-S40 CarbonylContact O-C 3.51Å; K37-S40 PolarHBondContact O-N 3.35Å; K37-S40 VanDerWaalsContact O-N 3.12Å; K37-S40 PolarHBondContact O-OG 2.87Å; E38-S40 VanDerWaalsContact C-N 3.32Å; E38-S40 PolarHBondContact O-N 3.47Å |
| 41 | E | 41.1 | Very low | 49.2 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 54% | 0.542 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -83.7 | -15.2 | 177.2 | -167.6 | 169.1 | 160 | 0 | 0 | 111.4 | K37 E38 | K37-E41 WeakPolarHBondContact CE-OE2 3.33Å; K37-E41 WeakPolarHBondContact O-CB 3.25Å; K37-E41 PolarHBondContact O-N 2.85Å; E38-E41 PolarHBondContact O-N 3.25Å |
| 42 | S | 36.2 | Very low | 47.6 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -0.4 | 176 | 69 | 0 | 0 | 0 | 0 | 115.6 | E38 E39 | E38-S42 VanDerWaalsContact O-CB 3.31Å; E38-S42 WeakPolarHBondContact O-CB 3.4Å; E38-S42 PolarHBondContact O-N 2.96Å; E38-S42 PolarHBondContact O-OG 3.47Å; E39-S42 PolarHBondContact O-OG 3.34Å |
| 43 | E | 46.5 | Very low | 45.7 | Very low | 177 Ų | 177 | 120.1 Ų | 120.1 | 83% | 0.827 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -7.2 | 177.8 | -168.2 | 171.4 | 131 | 0 | 0 | 112.9 | ||
| 44 | E | 42.6 | Very low | 44 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | trans | -109 | 59.1 | -177.4 | 40.2 | -171.1 | 123.6 | 0 | 0 | 112.5 | ||||
| 45 | E | 39.3 | Very low | 42.9 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | trans | -128 | 100.3 | 154.1 | -165.7 | 175.4 | 157.1 | 0 | 0 | 108.6 | P47 | E45-P47 WeakPolarHBondContact O-CD 3.43Š| ||
| 46 | E | 34.1 | Very low | 41.9 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | trans | -68.7 | 119.7 | 170.7 | 175.8 | 179.1 | 102.5 | 0 | 0 | 109.6 | ||||
| 47 | P | 43.6 | Very low | 41.4 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 71% | 0.707 | S | S | * | * | trans | -98.7 | 101.2 | 142.4 | 31.7 | -29.5 | 0 | 0 | 0 | 107 | E45 | E45-P47 WeakPolarHBondContact O-CD 3.43Š| ||
| 48 | D | 40.2 | Very low | 41.3 | Very low | 120 Ų | 120 | 134 Ų | 134 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | -41.4 | 147.1 | 152.4 | -135.1 | -19.4 | 0 | 0 | 0 | 108.9 | ||||
| 49 | F | 39.5 | Very low | 40.6 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 88% | 0.882 | 74% | 0.739 | S | S | * | * | trans | 97.4 | 60.4 | -171.9 | -53.9 | -71.2 | 0 | 0 | 0 | 117.7 | ||||
| 50 | A | 38 | Very low | 40.3 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | -165.7 | 107.3 | 121.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 51 | V | 45.8 | Very low | 40 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -49.4 | 141.6 | 166.3 | 163.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | T | 40.8 | Very low | 39.8 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 76.9 | 128.1 | 176.8 | 99 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 53 | S | 33.5 | Very low | 40.1 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | cis | -170 | 121.8 | 34 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 54 | R | 35.4 | Very low | 39.9 | Very low | 235 Ų | 235 | 144.2 Ų | 144.2 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | 46.7 | 100.6 | 132.4 | -48.8 | -174.2 | -170.2 | -162 | 3.7 | 118.9 | ||||
| 55 | I | 41.3 | Very low | 39.7 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -57.5 | 143 | 137.6 | -58.1 | 151.4 | 0 | 0 | 0 | 107 | ||||
| 56 | P | 41.2 | Very low | 39.5 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | -156.5 | -164.5 | 61 | 42.5 | -19.1 | 0 | 0 | 0 | 115.3 | |||||
| 57 | P | 44.5 | Very low | 39.6 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -126.7 | 171.3 | -17.4 | 20.5 | 3.8 | 0 | 0 | 0 | 114.5 | ||||
| 58 | V | 48.2 | Very low | 39.2 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 87% | 0.873 | 77% | 0.771 | S | S | * | * | trans | -45.5 | 128.3 | 161.9 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 59 | H | 35.2 | Very low | 39.2 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -145.8 | 127 | 154.4 | -157.4 | -64.3 | 0 | 0 | 0 | 112.8 | ||||
| 60 | S | 37.4 | Very low | 38.9 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 59% | 0.587 | 78% | 0.775 | S | S | * | * | trans | -73 | 154.4 | 179.4 | -172.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 61 | N | 36.7 | Very low | 38.9 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -5.6 | 129.4 | 165.4 | -70.9 | -91.4 | 0 | 0 | 0 | 119.8 | ||||
| 62 | H | 35.3 | Very low | 38.3 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | -176.2 | 142.2 | 112.2 | -122.8 | -82.4 | 0 | 0 | 0 | 113.1 | |||||
| 63 | N | 42.4 | Very low | 38.1 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -62.2 | 120.5 | 166 | 166.2 | 33.8 | 0 | 0 | 0 | 111.9 | ||||
| 64 | I | 42.2 | Very low | 38.2 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -150 | 137.1 | 146.7 | -57.5 | 93.6 | 0 | 0 | 0 | 110.5 | ||||
| 65 | V | 38.8 | Very low | 38.6 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -60.3 | 153.9 | 174.3 | 163.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 66 | A | 35.8 | Very low | 38.3 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 111.9 | 115.7 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 67 | A | 35 | Very low | 38.1 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | 64.7 | 119 | 132.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 68 | T | 37.1 | Very low | 38 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | 168.9 | 152.1 | 82.8 | 37.2 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 69 | A | 39.4 | Very low | 37.5 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | cis | -150.5 | 153 | 8.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 70 | A | 33.7 | Very low | 37.8 | Very low | 95 Ų | 95 | 120.6 Ų | 120.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -74.8 | 143.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 71 | A | 36.9 | Very low | 37.8 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 23.7 | 122.8 | 136 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 72 | S | 34.3 | Very low | 37.7 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -173.1 | 135.6 | 130.1 | 53.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 73 | S | 35.1 | Very low | 38 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | cis | -166.3 | 152.1 | 35.5 | 44.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 74 | M | 36.1 | Very low | 38.4 | Very low | 167 Ų | 167 | 120.9 Ų | 120.9 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 179.7 | 179.9 | -67.7 | -78.2 | -73.3 | 0 | 0 | 113 | ||||
| 75 | P | 44.6 | Very low | 38.4 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | cis | -148.3 | 170.4 | 15.3 | 38.5 | -15.2 | 0 | 0 | 0 | 119.7 | ||||
| 76 | N | 35.5 | Very low | 38.5 | Very low | 155 Ų | 155 | 121.4 Ų | 121.4 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 95.8 | 106.8 | 151.4 | -56 | -35.6 | 0 | 0 | 0 | 121.6 | ||||
| 77 | G | 36.6 | Very low | 38.6 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | 167 | 129.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A79 | G77-A79 PolarHBondContact O-N 2.86Š| ||
| 78 | P | 42.1 | Very low | 38.7 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | -76.5 | 90.1 | -174.1 | 30.8 | -32.1 | 0 | 0 | 0 | 110.8 | I80 | P78-I80 PolarHBondContact O-N 3.27Š| ||
| 79 | A | 38.4 | Very low | 38.6 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -80.5 | 104.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | G77 | G77-A79 PolarHBondContact O-N 2.86Š| ||
| 80 | I | 40.5 | Very low | 38.5 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | trans | 28.5 | 102.7 | 136 | -43.4 | 176.9 | 0 | 0 | 0 | 113.6 | P78 S82 | P78-I80 PolarHBondContact O-N 3.27Å; I80-S82 PolarHBondContact O-N 2.9Å | ||
| 81 | F | 37.3 | Very low | 38.9 | Very low | 203 Ų | 203 | 133 Ų | 133 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -48.1 | 125.7 | 170.5 | -75.1 | -85.8 | 0 | 0 | 0 | 110.7 | T83 | F81-T83 PolarHBondContact O-N 3.39Š| ||
| 82 | S | 34.9 | Very low | 39 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -47.5 | 103 | 172.4 | -68 | 0 | 0 | 0 | 0 | 111.9 | I80 | I80-S82 PolarHBondContact O-N 2.9Š| ||
| 83 | T | 41.8 | Very low | 39.6 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | -69 | 127.1 | 157.1 | -39.2 | 0 | 0 | 0 | 0 | 107.3 | F81 | F81-T83 PolarHBondContact O-N 3.39Š| ||
| 84 | P | 51.3 | Low | 40 | Very low | 104 Ų | 104 | 137 Ų | 137 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -60.6 | 145.3 | 171.2 | 25.8 | -31.7 | 0 | 0 | 0 | 108.6 | L86 | P84-L86 VanDerWaalsContact C-N 3.33Å; P84-L86 PolarHBondContact O-N 2.96Å | ||
| 85 | P | 42 | Very low | 40.5 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | trans | -61.9 | 104.1 | 171.6 | 25.7 | -30.8 | 0 | 0 | 0 | 107.3 | A87 | P85-A87 PolarHBondContact O-N 3.35Å; P85-A87 VanDerWaalsContact O-N 3.1Å | ||
| 86 | L | 40 | Very low | 40.5 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -42.3 | 119.8 | 166.9 | -179.3 | 66.7 | 0 | 0 | 0 | 106.6 | P84 R88 | P84-L86 VanDerWaalsContact C-N 3.33Å; P84-L86 PolarHBondContact O-N 2.96Å; L86-R88 PolarHBondContact O-N 2.91Å | ||
| 87 | A | 37.2 | Very low | 41.1 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | trans | -29.5 | 115.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P85 K89 | P85-A87 PolarHBondContact O-N 3.35Å; P85-A87 VanDerWaalsContact O-N 3.1Å; A87-K89 VanDerWaalsContact C-N 3.32Å; A87-K89 PolarHBondContact O-N 3.43Å | ||
| 88 | R | 37.9 | Very low | 41.9 | Very low | 245 Ų | 245 | 131.9 Ų | 131.9 | 93% | 0.925 | 72% | 0.719 | S | S | * | * | trans | -44.5 | 106.1 | 179.5 | -80 | -177.5 | -125.4 | 132.8 | 0.9 | 106.9 | L86 L90 | L86-R88 PolarHBondContact O-N 2.91Å; R88-L90 PolarHBondContact O-N 2.87Å | ||
| 89 | K | 35.4 | Very low | 42.3 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 74% | 0.739 | 71% | 0.71 | S | S | * | * | trans | -43.9 | 125.7 | 176.2 | -138.6 | 165.1 | -177 | -119.3 | 0 | 105.1 | A87 T91 | A87-K89 VanDerWaalsContact C-N 3.32Å; A87-K89 PolarHBondContact O-N 3.43Å; K89-T91 HydrophobicContact CB-CG2 4.17Å; K89-T91 PolarHBondContact O-N 3.4Å | ||
| 90 | L | 37.9 | Very low | 42.8 | Very low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | trans | -62.7 | 63.7 | 163.2 | -86.4 | 132.9 | 0 | 0 | 0 | 108.3 | R88 S93 | R88-L90 PolarHBondContact O-N 2.87Å; L90-S93 PolarHBondContact O-OG 2.8Å | ||
| 91 | T | 40.7 | Very low | 43.4 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | trans | -103.2 | 15.4 | -179.2 | -163.5 | 0 | 0 | 0 | 0 | 110.6 | K89 | K89-T91 HydrophobicContact CB-CG2 4.17Å; K89-T91 PolarHBondContact O-N 3.4Å | ||
| 92 | R | 39.4 | Very low | 43.8 | Very low | 187 Ų | 187 | 121.3 Ų | 121.3 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -115.7 | 45.9 | 169.5 | -161.3 | -171.9 | -171 | -132.9 | 7.3 | 109.5 | E39 | E39-R92 IonicContact OE1-CZ 3.73Å; E39-R92 IonicContact OE1-NH1 3.78Å; E39-R92 IonicContact OE1-NH2 2.75Å; E39-R92 PolarHBondContact OE1-NH2 3.41Å; E39-R92 IonicContact OE2-CZ 3.64Å; E39-R92 IonicContact OE2-NH1 3.44Å; E39-R92 PolarHBondContact OE2-NH1 2.82Å; E39-R92 IonicContact OE2-NH2 3.08Å; E39-R92 PolarHBondContact OE2-NH2 2.94Å; E39-R92 VanDerWaalsContact OE2-NH2 3.08Å |
| 93 | S | 47 | Very low | 44.3 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 49% | 0.49 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -142.6 | 8.3 | 170.3 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | L90 | L90-S93 PolarHBondContact O-OG 2.8Š|
| 94 | Q | 44.1 | Very low | 44.6 | Very low | 164 Ų | 164 | 128 Ų | 128 | 77% | 0.766 | 67% | 0.666 | S | S | * | * | trans | -94.7 | 0.5 | 176.2 | -80.7 | -165.6 | 3.5 | 0 | 0 | 114.2 | F96 | Q94-F96 PolarHBondContact O-N 3.01Š| ||
| 95 | T | 45.2 | Very low | 44.4 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 80% | 0.798 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -86.3 | 75.8 | 158.3 | 21.7 | 0 | 0 | 0 | 0 | 107.7 | C97 | T95-C97 PolarHBondContact O-N 3.05Š|
| 96 | F | 45.8 | Very low | 44.7 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 62% | 0.618 | 66% | 0.655 | S | S | * | * | trans | -55.9 | 126.6 | 169 | -87.2 | -98.6 | 0 | 0 | 0 | 108.9 | Q94 T101 | Q94-F96 PolarHBondContact O-N 3.01Å; F96-T101 HydrophobicContact CB-CG2 3.57Å; F96-T101 HydrophobicContact CD1-CG2 3.55Å; F96-T101 HydrophobicContact CG-CG2 3.83Å | ||
| 97 | C | 48.1 | Very low | 45 | Very low | 12 Ų | 12 | 129.2 Ų | 129.2 | 8% | 0.081 | 66% | 0.656 | C | S | . | * | trans | -55.6 | 124.8 | 169.3 | -118.7 | 0 | 0 | 0 | 0 | 108.2 | T95 S99 C100 | T95-C97 PolarHBondContact O-N 3.05Å; C97-S99 PolarHBondContact O-N 3.24Å; C97-C100 HydrophobicContact CB-CB 4.13Å; C97-C100 WeakPolarHBondContact O-CB 3.19Å; C97-C100 PolarHBondContact O-N 2.92Å | ||
| 98 | P | 53.9 | Low | 45.7 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 59% | 0.591 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -18.4 | -177.8 | 21.6 | -31.3 | 0 | 0 | 0 | 113.2 | C100 | P98-C100 VanDerWaalsContact C-N 3.28Å; P98-C100 PolarHBondContact O-N 3.49Å |
| 99 | S | 49.5 | Very low | 46.2 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -12 | 174.2 | -142 | 0 | 0 | 0 | 0 | 113.7 | C97 | C97-S99 PolarHBondContact O-N 3.24Š|
| 100 | C | 49.6 | Very low | 46.8 | Very low | 27 Ų | 27 | 132.2 Ų | 132.2 | 18% | 0.182 | 67% | 0.666 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -107.8 | -19.1 | -170.8 | -65.4 | 0 | 0 | 0 | 0 | 114.2 | Y27 Q31 C97 P98 H102 | Y27-C100 VanDerWaalsContact OH-CA 3.26Å; Y27-C100 WeakPolarHBondContact OH-CA 2.88Å; Y27-C100 WeakPolarHBondContact OH-CB 3.34Å; Y27-C100 PolarHBondContact OH-O 3.4Å; Y27-C100 PolarHBondContact OH-SG 3.37Å; Q31-C100 WeakPolarHBondContact CG-SG 3.43Å; C97-C100 HydrophobicContact CB-CB 4.13Å; C97-C100 WeakPolarHBondContact O-CB 3.19Å; C97-C100 PolarHBondContact O-N 2.92Å; P98-C100 VanDerWaalsContact C-N 3.28Å; P98-C100 PolarHBondContact O-N 3.49Å; C100-H102 VanDerWaalsContact C-N 3.35Å |
| 101 | T | 53 | Low | 47.3 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 42% | 0.423 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -85.3 | -7.2 | 180 | 51 | 0 | 0 | 0 | 0 | 113.5 | F96 Y103 | F96-T101 HydrophobicContact CB-CG2 3.57Å; F96-T101 HydrophobicContact CD1-CG2 3.55Å; F96-T101 HydrophobicContact CG-CG2 3.83Å; T101-Y103 PolarHBondContact O-N 2.93Å |
| 102 | H | 46.1 | Very low | 47.8 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.787 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 6.8 | -171.2 | -129.9 | -72.2 | 0 | 0 | 0 | 115 | C100 | C100-H102 VanDerWaalsContact C-N 3.35Š|
| 103 | Y | 43.8 | Very low | 48.3 | Very low | 226 Ų | 226 | 127 Ų | 127 | 89% | 0.886 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 30.2 | 174.8 | -123.6 | -85.3 | 0 | 0 | 0 | 112.1 | T101 | T101-Y103 PolarHBondContact O-N 2.93Š|
| 104 | D | 48.9 | Very low | 48.1 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 127.8 | 164.7 | -135.8 | -31 | 0 | 0 | 0 | 109.6 | ||
| 105 | L | 46.8 | Very low | 48.1 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 72% | 0.723 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 129.8 | -161.9 | -169.2 | 72.5 | 0 | 0 | 0 | 110.8 | F107 | L105-F107 PolarHBondContact O-N 2.83Š|
| 106 | P | 48.1 | Very low | 47.8 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 58% | 0.578 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 118.3 | 179.2 | 29.1 | -30.3 | 0 | 0 | 0 | 110.5 | Y108 | P106-Y108 PolarHBondContact O-N 3.36Š|
| 107 | F | 47.2 | Very low | 47.4 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 58.6 | 48.2 | 141.8 | -65.4 | -83.6 | 0 | 0 | 0 | 119.7 | L105 | L105-F107 PolarHBondContact O-N 2.83Š|
| 108 | Y | 51.3 | Low | 47 | Very low | 215 Ų | 215 | 140.4 Ų | 140.4 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -119.4 | 11.3 | 168.6 | -90.2 | -78.9 | 0 | 0 | 0 | 116.8 | P106 | P106-Y108 PolarHBondContact O-N 3.36Š| ||
| 109 | L | 49.3 | Very low | 46.2 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | -129.6 | 46.7 | 179.2 | -70.7 | 170.2 | 0 | 0 | 0 | 113.9 | ||||
| 110 | Q | 46.5 | Very low | 45.8 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | -110.6 | 108.1 | 166.2 | -160.5 | 143.1 | -36.7 | 0 | 0 | 110.5 | ||||
| 111 | P | 48.8 | Very low | 45.5 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 140.4 | 169 | -15.9 | 29 | 0 | 0 | 0 | 110.1 | ||
| 112 | P | 52.1 | Low | 44.9 | Very low | 119 Ų | 119 | 154.5 Ų | 154.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132.6 | 179.2 | 26.9 | -32.7 | 0 | 0 | 0 | 110.9 | ||
| 113 | P | 48.7 | Very low | 44.9 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 144.9 | 167.1 | 28.7 | -31.3 | 0 | 0 | 0 | 110.2 | ||
| 114 | P | 43.3 | Very low | 45.1 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 141.5 | -178 | 25.8 | -32.1 | 0 | 0 | 0 | 111.6 | ||
| 115 | Q | 43.8 | Very low | 45.3 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 158.2 | -178.6 | -54.8 | -159.5 | 11.3 | 0 | 0 | 112.1 | ||
| 116 | H | 40.4 | Very low | 45.1 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 81.3 | 106.8 | -179.7 | -82.2 | -114.1 | 0 | 0 | 0 | 115.7 | ||||
| 117 | V | 35.9 | Very low | 45.6 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | -175 | 140.3 | 88.2 | 161.9 | 0 | 0 | 0 | 0 | 108.6 | H119 | V117-H119 PolarHBondContact O-N 3.03Š| |||
| 118 | H | 40.5 | Very low | 45.8 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -39 | 126.1 | 168.6 | -106.8 | -36 | 0 | 0 | 0 | 114.1 | ||||
| 119 | H | 37.5 | Very low | 45.7 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -163 | 113.8 | 135.8 | -125.7 | -74.2 | 0 | 0 | 0 | 112.1 | V117 | V117-H119 PolarHBondContact O-N 3.03Š| ||
| 120 | Q | 40.3 | Very low | 45.8 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 62% | 0.621 | 79% | 0.794 | S | S | * | * | trans | -74.2 | 145.9 | 156.9 | 176.8 | 174.2 | -13.9 | 0 | 0 | 108.4 | E122 | Q120-E122 WeakPolarHBondContact CG-OE2 3.31Å; Q120-E122 PolarHBondContact NE2-OE1 2.91Å; Q120-E122 PolarHBondContact NE2-OE2 3.4Å | ||
| 121 | P | 43.5 | Very low | 46.2 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -131.4 | 123.4 | 137.1 | 29.5 | -14.8 | 0 | 0 | 0 | 111.7 | ||||
| 122 | E | 40.3 | Very low | 46 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -30.6 | 143.8 | 154 | -101.9 | 60 | -154.6 | 0 | 0 | 114.9 | Q120 | Q120-E122 WeakPolarHBondContact CG-OE2 3.31Å; Q120-E122 PolarHBondContact NE2-OE1 2.91Å; Q120-E122 PolarHBondContact NE2-OE2 3.4Å | ||
| 123 | G | 46.2 | Very low | 45.4 | Very low | 64 Ų | 64 | 147.8 Ų | 147.8 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | 108.6 | 92.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 124 | L | 47.9 | Very low | 45 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | 177.1 | 110.8 | 126.3 | -90.8 | 143 | 0 | 0 | 0 | 108.6 | |||||
| 125 | R | 52 | Low | 44.8 | Very low | 225 Ų | 225 | 151.7 Ų | 151.7 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | -54.8 | 136.3 | 167.3 | -71.7 | 162.8 | 79.8 | -128.3 | 11.8 | 109 | ||||
| 126 | N | 44.3 | Very low | 44.8 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | -162.5 | 136.2 | 120.9 | -94.6 | -36 | 0 | 0 | 0 | 110.4 | G128 | N126-G128 PolarHBondContact O-N 2.91Š| |||
| 127 | G | 57.2 | Low | 44.9 | Very low | 88 Ų | 88 | 148.7 Ų | 148.7 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -63.3 | 126.6 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 128 | G | 52.4 | Low | 45.2 | Very low | 64 Ų | 64 | 149.3 Ų | 149.3 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | -136.9 | 108.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | N126 R130 | N126-G128 PolarHBondContact O-N 2.91Å; G128-R130 PolarHBondContact O-N 3.36Å; G128-R130 VanDerWaalsContact O-N 3.16Å | ||
| 129 | E | 48.2 | Very low | 45 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -48.3 | 117.4 | 175.2 | -172 | 173.5 | 168.2 | 0 | 0 | 109.8 | V131 | E129-V131 PolarHBondContact O-N 3.3Š| ||
| 130 | R | 53.2 | Low | 44.8 | Very low | 238 Ų | 238 | 147.2 Ų | 147.2 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -72.5 | 97.8 | 177.9 | -69.3 | 175.7 | 167.4 | -110.9 | -1.1 | 107.5 | G128 S132 | G128-R130 PolarHBondContact O-N 3.36Å; G128-R130 VanDerWaalsContact O-N 3.16Å; R130-S132 PolarHBondContact O-N 2.94Å | ||
| 131 | V | 53.1 | Low | 44.9 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 62% | 0.624 | 78% | 0.784 | S | S | * | * | trans | -62.1 | 103.3 | 166.7 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | E129 Y133 | E129-V131 PolarHBondContact O-N 3.3Å; V131-Y133 HydrophobicContact CB-CE2 4.28Å; V131-Y133 HydrophobicContact CG1-CD2 3.93Å; V131-Y133 HydrophobicContact CG1-CE2 3.58Å; V131-Y133 PolarHBondContact O-N 3.3Å; V131-Y133 VanDerWaalsContact O-N 3.13Å | ||
| 132 | S | 45.8 | Very low | 44.4 | Very low | 105 Ų | 105 | 149.7 Ų | 149.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -74.4 | 94.2 | 172.7 | 171.4 | 0 | 0 | 0 | 0 | 108.6 | R130 R134 | R130-S132 PolarHBondContact O-N 2.94Å; S132-R134 PolarHBondContact O-N 3.46Å; S132-R134 VanDerWaalsContact O-N 3.08Å | ||
| 133 | Y | 38.2 | Very low | 44.1 | Very low | 202 Ų | 202 | 149.4 Ų | 149.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -68.6 | 106.1 | 162.5 | -74.4 | -86.4 | 0 | 0 | 0 | 108 | V131 S135 | V131-Y133 HydrophobicContact CB-CE2 4.28Å; V131-Y133 HydrophobicContact CG1-CD2 3.93Å; V131-Y133 HydrophobicContact CG1-CE2 3.58Å; V131-Y133 PolarHBondContact O-N 3.3Å; V131-Y133 VanDerWaalsContact O-N 3.13Å; Y133-S135 PolarHBondContact O-N 2.89Å | ||
| 134 | R | 41.5 | Very low | 43.9 | Very low | 226 Ų | 226 | 151.8 Ų | 151.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -59.8 | 105.3 | 159.9 | -94.9 | -150.8 | 173 | -145.4 | 1.1 | 107 | S132 V136 | S132-R134 PolarHBondContact O-N 3.46Å; S132-R134 VanDerWaalsContact O-N 3.08Å; R134-V136 VanDerWaalsContact C-N 3.34Å; R134-V136 PolarHBondContact O-N 3.36Å | ||
| 135 | S | 39.2 | Very low | 43.9 | Very low | 94 Ų | 94 | 148 Ų | 148 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | -61.5 | 102.6 | 155.8 | 52.6 | 0 | 0 | 0 | 0 | 106.7 | Y133 Q137 | Y133-S135 PolarHBondContact O-N 2.89Å; S135-Q137 PolarHBondContact O-N 3.44Å | ||
| 136 | V | 43.3 | Very low | 43.6 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -68.8 | 78.2 | 156.2 | 177.7 | 0 | 0 | 0 | 0 | 105.4 | R134 | R134-V136 VanDerWaalsContact C-N 3.34Å; R134-V136 PolarHBondContact O-N 3.36Å | ||
| 137 | Q | 42.9 | Very low | 43.6 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 66% | 0.659 | 76% | 0.761 | S | S | * | * | trans | -105.3 | 126.9 | 168.3 | -155.4 | -176 | -18.2 | 0 | 0 | 106.6 | S135 | S135-Q137 PolarHBondContact O-N 3.44Š| ||
| 138 | Q | 40.8 | Very low | 42.9 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | 81.8 | 83.7 | 146 | -121.7 | 138.6 | -3.5 | 0 | 0 | 118.9 | ||||
| 139 | Q | 37.7 | Very low | 42.7 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | -155.9 | 117.8 | 126.4 | -101.6 | 158.8 | 19.6 | 0 | 0 | 103 | |||||
| 140 | D | 32.4 | Very low | 42.7 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | cis | -164 | 132.9 | 45.7 | -149.5 | -124.7 | 0 | 0 | 0 | 108.3 | D142 | D140-D142 PolarHBondContact O-N 2.97Š| ||
| 141 | L | 42.4 | Very low | 42.6 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | trans | -92.5 | 84.1 | 176.4 | -167.2 | 91 | 0 | 0 | 0 | 106.4 | ||||
| 142 | D | 32.7 | Very low | 42.3 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -149.5 | 108.4 | 165.8 | -126.3 | -67.6 | 0 | 0 | 0 | 111.2 | D140 | D140-D142 PolarHBondContact O-N 2.97Š| ||
| 143 | L | 34.8 | Very low | 42.3 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | -84.4 | 132.5 | 163.7 | -160 | 77.8 | 0 | 0 | 0 | 105.7 | V145 | L143-V145 HydrophobicContact CD1-CG2 4.28Å; L143-V145 HydrophobicContact CG-CG2 4.47Å | ||
| 144 | P | 41.8 | Very low | 42.9 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | -137.1 | 137.9 | 96 | 24.5 | -6.3 | 0 | 0 | 0 | 113.1 | |||||
| 145 | V | 47.7 | Very low | 43.2 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 62% | 0.618 | 75% | 0.749 | S | S | * | * | trans | -50.1 | 133.9 | 162.9 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | L143 V147 | L143-V145 HydrophobicContact CD1-CG2 4.28Å; L143-V145 HydrophobicContact CG-CG2 4.47Å; V145-V147 HydrophobicContact CG1-CB 4.48Å; V145-V147 HydrophobicContact CG1-CG2 4.05Å | ||
| 146 | P | 46.6 | Very low | 43.7 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | -133.7 | 118.6 | 102.7 | 22.7 | -4.2 | 0 | 0 | 0 | 112.4 | N148 | P146-N148 PolarHBondContact O-N 3.31Š| |||
| 147 | V | 44.1 | Very low | 44 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | trans | -70.1 | 105.8 | 174.2 | 167.3 | 0 | 0 | 0 | 0 | 109.1 | V145 I149 | V145-V147 HydrophobicContact CG1-CB 4.48Å; V145-V147 HydrophobicContact CG1-CG2 4.05Å; V147-I149 HydrophobicContact CG1-CB 4.4Å; V147-I149 HydrophobicContact CG1-CD1 3.07Å; V147-I149 HydrophobicContact CG1-CG1 3.34Å | ||
| 148 | N | 43.1 | Very low | 44.5 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | -100 | 88.2 | 165.9 | -172 | -10.5 | 0 | 0 | 0 | 109.3 | P146 S150 | P146-N148 PolarHBondContact O-N 3.31Å; N148-S150 PolarHBondContact O-N 2.82Å; N148-S150 WeakPolarHBondContact OD1-CB 3.44Å; N148-S150 PolarHBondContact OD1-N 3.25Å | ||
| 149 | I | 47.8 | Very low | 45 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | -88.9 | 36.7 | 175.8 | -61.5 | 158.2 | 0 | 0 | 0 | 110.9 | V147 N151 | V147-I149 HydrophobicContact CG1-CB 4.4Å; V147-I149 HydrophobicContact CG1-CD1 3.07Å; V147-I149 HydrophobicContact CG1-CG1 3.34Å; I149-N151 PolarHBondContact O-N 3.1Å; I149-N151 VanDerWaalsContact O-N 3.11Å | ||
| 150 | S | 47 | Very low | 45.6 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 3.8 | -177.4 | -172.4 | 0 | 0 | 0 | 0 | 115.7 | N148 | N148-S150 PolarHBondContact O-N 2.82Å; N148-S150 WeakPolarHBondContact OD1-CB 3.44Å; N148-S150 PolarHBondContact OD1-N 3.25Å |
| 151 | N | 51.4 | Low | 46.5 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 18.4 | -167.4 | -85.9 | -39.6 | 0 | 0 | 0 | 119.2 | I149 | I149-N151 PolarHBondContact O-N 3.1Å; I149-N151 VanDerWaalsContact O-N 3.11Å |
| 152 | Y | 46.1 | Very low | 47.1 | Very low | 220 Ų | 220 | 139.9 Ų | 139.9 | 86% | 0.863 | 75% | 0.747 | S | S | * | * | trans | -133.5 | 33.3 | 171.3 | -67.4 | -76.6 | 0 | 0 | 0 | 115.2 | K154 | Y152-K154 PolarHBondContact O-N 3.44Š| ||
| 153 | R | 46 | Very low | 47.9 | Very low | 241 Ų | 241 | 141.6 Ų | 141.6 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | -97.8 | 80.6 | 172.9 | -155.8 | -177.1 | -149.9 | -179 | 7.8 | 112 | ||||
| 154 | K | 50.9 | Low | 48.9 | Very low | 183 Ų | 183 | 146 Ų | 146 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -156.8 | 85.4 | 156.2 | -133.6 | 149.4 | -176.1 | 175.8 | 0 | 113.8 | Y152 | Y152-K154 PolarHBondContact O-N 3.44Š| ||
| 155 | P | 48.1 | Very low | 49.4 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -92.1 | 125.6 | 142.3 | 30.8 | -24.8 | 0 | 0 | 0 | 108.7 | L157 | P155-L157 PolarHBondContact O-N 3.47Š| ||
| 156 | N | 49.1 | Very low | 49.7 | Very low | 139 Ų | 139 | 150.4 Ų | 150.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -59.2 | 102.1 | -178.6 | -70.6 | -82.2 | 0 | 0 | 0 | 111.9 | A158 | N156-A158 PolarHBondContact O-N 2.88Š| ||
| 157 | L | 51.4 | Low | 50 | Low | 161 Ų | 161 | 154.3 Ų | 154.3 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 60.6 | 169.1 | -167.8 | 72.8 | 0 | 0 | 0 | 110.3 | P155 | P155-L157 PolarHBondContact O-N 3.47Š|
| 158 | A | 52.4 | Low | 50.3 | Low | 92 Ų | 92 | 154.8 Ų | 154.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 10.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N156 | N156-A158 PolarHBondContact O-N 2.88Š|
| 159 | R | 52.5 | Low | 50.8 | Low | 230 Ų | 230 | 159 Ų | 159 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -126 | 10.5 | 177.2 | -154.4 | 176.8 | 172.1 | 115.4 | -1 | 114.6 | ||
| 160 | S | 48.9 | Very low | 51 | Low | 89 Ų | 89 | 158.4 Ų | 158.4 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -111.9 | 25.9 | -178.1 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 161 | V | 52.7 | Low | 51.5 | Low | 126 Ų | 126 | 160.5 Ų | 160.5 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -124.8 | 52.2 | 172.3 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 162 | T | 55.3 | Low | 51.5 | Low | 115 Ų | 115 | 159.7 Ų | 159.7 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -138 | 17.2 | 169.9 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 163 | M | 49.2 | Very low | 51.7 | Low | 175 Ų | 175 | 157.1 Ų | 157.1 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -134.1 | 29.4 | 171.5 | -158.2 | -129.2 | -88.5 | 0 | 0 | 112.9 | ||
| 164 | R | 54.3 | Low | 52.1 | Low | 238 Ų | 238 | 151.2 Ų | 151.2 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -119.2 | 8.8 | 169.3 | -155.3 | -179.2 | 168 | 100.7 | 0.5 | 113.2 | ||
| 165 | E | 53.7 | Low | 52.6 | Low | 156 Ų | 156 | 148.5 Ų | 148.5 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -130 | 52.4 | -178.3 | -156.3 | 161.4 | -176.8 | 0 | 0 | 111.4 | ||
| 166 | M | 53.4 | Low | 52.6 | Low | 151 Ų | 151 | 150.8 Ų | 150.8 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -132.2 | 13.4 | 169.8 | -67.2 | -171.4 | -178.4 | 0 | 0 | 113.4 | ||
| 167 | F | 52.9 | Low | 52.3 | Low | 205 Ų | 205 | 154.1 Ų | 154.1 | 90% | 0.899 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -126.2 | 21.7 | 175.7 | -68.3 | -70.2 | 0 | 0 | 0 | 114.1 | ||
| 168 | T | 50.9 | Low | 52.3 | Low | 114 Ų | 114 | 153.8 Ų | 153.8 | 70% | 0.699 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -129.9 | 31.6 | 178.1 | 43.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 169 | R | 52.3 | Low | 52.3 | Low | 229 Ų | 229 | 157.1 Ų | 157.1 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -140.3 | 53.6 | 171.4 | -70.8 | -165.8 | -178.6 | -142.7 | 2.2 | 112.8 | ||||
| 170 | S | 52.6 | Low | 52.3 | Low | 124 Ų | 124 | 153 Ų | 153 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | trans | -134.6 | 26.2 | 175.2 | -51.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 171 | C | 58.3 | Low | 52.5 | Low | 131 Ų | 131 | 156.8 Ų | 156.8 | 89% | 0.885 | 84% | 0.843 | S | S | * | * | trans | -142.3 | 81.5 | 167.9 | -161.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 172 | S | 50 | Low | 52.5 | Low | 122 Ų | 122 | 158.7 Ų | 158.7 | 85% | 0.853 | 85% | 0.848 | S | S | * | * | trans | -168.9 | 79.7 | 155.6 | 60.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 173 | I | 51.3 | Low | 52.3 | Low | 166 Ų | 166 | 161.6 Ų | 161.6 | 85% | 0.851 | 86% | 0.858 | S | S | * | * | trans | -104.7 | 104.1 | 160.3 | -162.9 | 162.3 | 0 | 0 | 0 | 106.1 | ||||
| 174 | S | 53.2 | Low | 52.5 | Low | 116 Ų | 116 | 160.6 Ų | 160.6 | 81% | 0.811 | 86% | 0.858 | S | S | * | * | trans | -84.4 | 119.6 | 171.7 | -170.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 175 | T | 62.8 | Low | 52.4 | Low | 126 Ų | 126 | 154.7 Ų | 154.7 | 77% | 0.773 | 86% | 0.855 | S | S | * | * | trans | -72.4 | 125.8 | 169.7 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 176 | D | 47.8 | Very low | 52.3 | Low | 162 Ų | 162 | 154.6 Ų | 154.6 | 87% | 0.866 | 87% | 0.865 | S | S | * | * | trans | -110.1 | 108.9 | 162.8 | -172.9 | -108.6 | 0 | 0 | 0 | 106.4 | ||||
| 177 | V | 41.9 | Very low | 52.2 | Low | 209 Ų | 209 | 154.9 Ų | 154.9 | 100% | 1.267 | 88% | 0.876 | S | S | * | * | trans | -146.9 | 0 | 165.1 | 173.9 | 0 | 0 | 0 | 0 | 107 |
Retrieved 177 of 177 residues in 28.6 ms
(Link to these results)