| 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 | 63.6 | Low | 88 | Confident | 205 Ų | 205 | 116.1 Ų | 116.1 | 100% | 1.01 | 62% | 0.622 | S | S | * | * | 0 | -57.8 | 0 | -58.4 | -176.4 | 90.5 | 0 | 0 | 112.1 | Q3 S4 V5 | M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.13Å; M1-S4 WeakPolarHBondContact O-CB 3.25Å; M1-S4 PolarHBondContact O-N 3.38Å; M1-S4 VanDerWaalsContact O-N 3.1Å; M1-V5 PolarHBondContact O-N 3.3Å | |||
| 2 | W | 79.6 | Confident | 88.6 | Confident | 231 Ų | 231 | 114.8 Ų | 114.8 | 88% | 0.875 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -54.3 | -40.5 | -176.8 | -137.5 | 66.1 | 0 | 0 | 0 | 114.9 | S4 V5 G6 | W2-S4 PolarHBondContact O-N 3.18Å; W2-V5 PolarHBondContact O-N 3.43Å; W2-G6 PolarHBondContact O-N 3.03Å |
| 3 | Q | 81.5 | Confident | 89.3 | Confident | 150 Ų | 150 | 112.2 Ų | 112.2 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -57 | -44 | 175.9 | -68.2 | -66.5 | -23.6 | 0 | 0 | 113.2 | M1 V5 G6 L7 | M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.13Å; Q3-V5 VanDerWaalsContact C-N 3.35Å; Q3-V5 PolarHBondContact O-N 3.39Å; Q3-G6 PolarHBondContact O-N 3.17Å; Q3-L7 WeakPolarHBondContact O-CG 3.23Å; Q3-L7 PolarHBondContact O-N 2.63Å |
| 4 | S | 86.8 | Confident | 89.8 | Confident | 75 Ų | 75 | 107.8 Ų | 107.8 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65 | -39.4 | 178.6 | -44.9 | 0 | 0 | 0 | 0 | 111.6 | M1 W2 T8 | M1-S4 WeakPolarHBondContact O-CB 3.25Å; M1-S4 PolarHBondContact O-N 3.38Å; M1-S4 VanDerWaalsContact O-N 3.1Å; W2-S4 PolarHBondContact O-N 3.18Å; S4-T8 PolarHBondContact O-N 2.77Å; S4-T8 PolarHBondContact O-OG1 3.3Å; S4-T8 VanDerWaalsContact O-OG1 3.07Å |
| 5 | V | 92.3 | Very high | 90.3 | Very high | 90 Ų | 90 | 106.5 Ų | 106.5 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.8 | -45.3 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | M1 W2 Q3 L7 T8 V9 | M1-V5 PolarHBondContact O-N 3.3Å; W2-V5 PolarHBondContact O-N 3.43Å; Q3-V5 VanDerWaalsContact C-N 3.35Å; Q3-V5 PolarHBondContact O-N 3.39Å; V5-L7 PolarHBondContact O-N 3.12Å; V5-T8 PolarHBondContact O-N 3.08Å; V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 WeakPolarHBondContact O-CB 3.43Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.44Å; V5-V9 PolarHBondContact O-N 3.49Å |
| 6 | G | 90.8 | Very high | 90.7 | Very high | 43 Ų | 43 | 106.6 Ų | 106.6 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.1 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W2 Q3 V9 L10 | W2-G6 PolarHBondContact O-N 3.03Å; Q3-G6 PolarHBondContact O-N 3.17Å; G6-V9 PolarHBondContact O-N 2.75Å; G6-L10 WeakPolarHBondContact O-CB 3.43Å; G6-L10 PolarHBondContact O-N 3.46Å |
| 7 | L | 93.3 | Very high | 91 | Very high | 111 Ų | 111 | 104.8 Ų | 104.8 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.6 | -46.6 | 176 | -73.9 | 168.7 | 0 | 0 | 0 | 112.3 | Q3 V5 V9 L10 V11 | Q3-L7 WeakPolarHBondContact O-CG 3.23Å; Q3-L7 PolarHBondContact O-N 2.63Å; V5-L7 PolarHBondContact O-N 3.12Å; L7-V9 PolarHBondContact O-N 2.61Å; L7-L10 PolarHBondContact O-N 3.05Å; L7-V11 WeakPolarHBondContact O-CG2 3.2Å; L7-V11 PolarHBondContact O-N 3.45Å |
| 8 | T | 93.4 | Very high | 91.3 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63 | -42.4 | 178 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | S4 V5 V11 I12 | S4-T8 PolarHBondContact O-N 2.77Å; S4-T8 PolarHBondContact O-OG1 3.3Å; S4-T8 VanDerWaalsContact O-OG1 3.07Å; V5-T8 PolarHBondContact O-N 3.08Å; T8-V11 PolarHBondContact O-N 3.49Å; T8-I12 HydrophobicContact CG2-CD1 3.87Å; T8-I12 VanDerWaalsContact O-CG1 3.26Å; T8-I12 WeakPolarHBondContact O-CG1 2.93Å; T8-I12 PolarHBondContact O-N 2.89Å |
| 9 | V | 95.4 | Very high | 91.5 | Very high | 78 Ų | 78 | 100.6 Ų | 100.6 | 47% | 0.473 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.9 | -42.6 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111 | V5 G6 L7 V11 I12 V13 | V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 WeakPolarHBondContact O-CB 3.43Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.44Å; V5-V9 PolarHBondContact O-N 3.49Å; G6-V9 PolarHBondContact O-N 2.75Å; L7-V9 PolarHBondContact O-N 2.61Å; V9-V11 VanDerWaalsContact C-N 3.35Å; V9-V11 PolarHBondContact O-N 2.9Å; V9-I12 PolarHBondContact O-N 2.59Å; V9-V13 HydrophobicContact CG1-CG2 4.3Å; V9-V13 WeakPolarHBondContact O-CB 3.26Å; V9-V13 VanDerWaalsContact O-CG2 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.43Å; V9-V13 PolarHBondContact O-N 2.82Å |
| 10 | L | 95.6 | Very high | 91.8 | Very high | 122 Ų | 122 | 100.6 Ų | 100.6 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.6 | -43.9 | 176.7 | -166.2 | 84.9 | 0 | 0 | 0 | 111.5 | G6 L7 V13 A14 | G6-L10 WeakPolarHBondContact O-CB 3.43Å; G6-L10 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 3.05Å; L10-V13 PolarHBondContact O-N 2.72Å; L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.44Å; L10-A14 PolarHBondContact O-N 2.79Å |
| 11 | V | 95.6 | Very high | 92 | Very high | 89 Ų | 89 | 101 Ų | 101 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.9 | -47.3 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | L7 T8 V9 V13 A14 T15 | L7-V11 WeakPolarHBondContact O-CG2 3.2Å; L7-V11 PolarHBondContact O-N 3.45Å; T8-V11 PolarHBondContact O-N 3.49Å; V9-V11 VanDerWaalsContact C-N 3.35Å; V9-V11 PolarHBondContact O-N 2.9Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-V13 PolarHBondContact O-N 2.7Å; V11-A14 PolarHBondContact O-N 3.48Å; V11-T15 WeakPolarHBondContact O-CB 3.31Å; V11-T15 PolarHBondContact O-N 2.8Å; V11-T15 PolarHBondContact O-OG1 3.39Å; V11-T15 VanDerWaalsContact O-OG1 3.06Å |
| 12 | I | 95.9 | Very high | 93.4 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.1 | -47.7 | 177.1 | -69.7 | 164.4 | 0 | 0 | 0 | 110.6 | T8 V9 T15 L16 | T8-I12 HydrophobicContact CG2-CD1 3.87Å; T8-I12 VanDerWaalsContact O-CG1 3.26Å; T8-I12 WeakPolarHBondContact O-CG1 2.93Å; T8-I12 PolarHBondContact O-N 2.89Å; V9-I12 PolarHBondContact O-N 2.59Å; I12-T15 PolarHBondContact O-N 2.72Å; I12-L16 VanDerWaalsContact O-CB 3.27Å; I12-L16 WeakPolarHBondContact O-CB 3.5Å; I12-L16 PolarHBondContact O-N 2.8Å |
| 13 | V | 97.5 | Very high | 94.2 | Very high | 80 Ų | 80 | 95.1 Ų | 95.1 | 49% | 0.485 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 178.3 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | V9 L10 V11 L16 V17 | V9-V13 HydrophobicContact CG1-CG2 4.3Å; V9-V13 WeakPolarHBondContact O-CB 3.26Å; V9-V13 VanDerWaalsContact O-CG2 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.43Å; V9-V13 PolarHBondContact O-N 2.82Å; L10-V13 PolarHBondContact O-N 2.72Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-V13 PolarHBondContact O-N 2.7Å; V13-L16 PolarHBondContact O-N 2.81Å; V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 WeakPolarHBondContact O-CB 3.39Å; V13-V17 WeakPolarHBondContact O-CG2 3.45Å; V13-V17 PolarHBondContact O-N 2.75Å |
| 14 | A | 96.6 | Very high | 94.7 | Very high | 51 Ų | 51 | 91 Ų | 91 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L10 V11 L16 V17 C18 | L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.44Å; L10-A14 PolarHBondContact O-N 2.79Å; V11-A14 PolarHBondContact O-N 3.48Å; A14-L16 VanDerWaalsContact C-N 3.34Å; A14-L16 PolarHBondContact O-N 2.74Å; A14-V17 PolarHBondContact O-N 3.31Å; A14-C18 WeakPolarHBondContact O-CB 3.39Å; A14-C18 PolarHBondContact O-N 2.85Å; A14-C18 PolarHBondContact O-SG 3.48Å |
| 15 | T | 96.3 | Very high | 95 | Very high | 88 Ų | 88 | 94.6 Ų | 94.6 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 174.3 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | V11 I12 C18 A19 | V11-T15 WeakPolarHBondContact O-CB 3.31Å; V11-T15 PolarHBondContact O-N 2.8Å; V11-T15 PolarHBondContact O-OG1 3.39Å; V11-T15 VanDerWaalsContact O-OG1 3.06Å; I12-T15 PolarHBondContact O-N 2.72Å; T15-C18 PolarHBondContact O-N 2.9Å; T15-A19 VanDerWaalsContact O-CB 3.29Å; T15-A19 WeakPolarHBondContact O-CB 3.28Å; T15-A19 PolarHBondContact O-N 2.79Å |
| 16 | L | 97 | Very high | 94.8 | Very high | 109 Ų | 109 | 92.2 Ų | 92.2 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 177.8 | -155.5 | 76.7 | 0 | 0 | 0 | 111.1 | I12 V13 A14 A19 L20 | I12-L16 VanDerWaalsContact O-CB 3.27Å; I12-L16 WeakPolarHBondContact O-CB 3.5Å; I12-L16 PolarHBondContact O-N 2.8Å; V13-L16 PolarHBondContact O-N 2.81Å; A14-L16 VanDerWaalsContact C-N 3.34Å; A14-L16 PolarHBondContact O-N 2.74Å; L16-A19 PolarHBondContact O-N 3.32Å; L16-L20 HydrophobicContact CG-CD1 4.13Å; L16-L20 WeakPolarHBondContact O-CB 3.46Å; L16-L20 WeakPolarHBondContact O-CD1 3.2Å; L16-L20 PolarHBondContact O-N 2.77Å |
| 17 | V | 96.5 | Very high | 94.8 | Very high | 75 Ų | 75 | 97.9 Ų | 97.9 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.9 | 171 | 0 | 0 | 0 | 0 | 111 | V13 A14 A19 L20 L21 | V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 WeakPolarHBondContact O-CB 3.39Å; V13-V17 WeakPolarHBondContact O-CG2 3.45Å; V13-V17 PolarHBondContact O-N 2.75Å; A14-V17 PolarHBondContact O-N 3.31Å; V17-A19 VanDerWaalsContact C-N 3.33Å; V17-A19 PolarHBondContact O-N 2.98Å; V17-L20 PolarHBondContact O-N 3.44Å; V17-L21 HydrophobicContact CG1-CD1 3.97Å; V17-L21 HydrophobicContact CG1-CG 4.34Å; V17-L21 WeakPolarHBondContact O-CB 3.05Å; V17-L21 VanDerWaalsContact O-CG 3.28Å; V17-L21 WeakPolarHBondContact O-CG 3.17Å; V17-L21 PolarHBondContact O-N 3.48Å |
| 18 | C | 96.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 99.3 Ų | 99.3 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 174.6 | -75.3 | 0 | 0 | 0 | 0 | 112.3 | A14 T15 L21 F22 | A14-C18 WeakPolarHBondContact O-CB 3.39Å; A14-C18 PolarHBondContact O-N 2.85Å; A14-C18 PolarHBondContact O-SG 3.48Å; T15-C18 PolarHBondContact O-N 2.9Å; C18-L21 PolarHBondContact O-N 3.37Å; C18-F22 WeakPolarHBondContact O-CB 3.32Å; C18-F22 PolarHBondContact O-N 2.71Å |
| 19 | A | 95.7 | Very high | 94.5 | Very high | 54 Ų | 54 | 98.3 Ų | 98.3 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T15 L16 V17 F22 M23 | T15-A19 VanDerWaalsContact O-CB 3.29Å; T15-A19 WeakPolarHBondContact O-CB 3.28Å; T15-A19 PolarHBondContact O-N 2.79Å; L16-A19 PolarHBondContact O-N 3.32Å; V17-A19 VanDerWaalsContact C-N 3.33Å; V17-A19 PolarHBondContact O-N 2.98Å; A19-F22 PolarHBondContact O-N 2.75Å; A19-M23 VanDerWaalsContact O-CB 3.25Å; A19-M23 WeakPolarHBondContact O-CB 3.25Å; A19-M23 PolarHBondContact O-N 3.39Å |
| 20 | L | 96.4 | Very high | 94.1 | Very high | 100 Ų | 100 | 98.8 Ų | 98.8 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 171.4 | -97.1 | 126.8 | 0 | 0 | 0 | 110.9 | L16 V17 F22 M23 V24 | L16-L20 HydrophobicContact CG-CD1 4.13Å; L16-L20 WeakPolarHBondContact O-CB 3.46Å; L16-L20 WeakPolarHBondContact O-CD1 3.2Å; L16-L20 PolarHBondContact O-N 2.77Å; V17-L20 PolarHBondContact O-N 3.44Å; L20-F22 PolarHBondContact O-N 2.71Å; L20-M23 PolarHBondContact O-N 2.78Å; L20-V24 WeakPolarHBondContact O-CB 3.23Å; L20-V24 WeakPolarHBondContact O-CG2 3.01Å; L20-V24 PolarHBondContact O-N 3.36Å |
| 21 | L | 95.3 | Very high | 93.5 | Very high | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 175.7 | -73.3 | 173.2 | 0 | 0 | 0 | 111.3 | V17 C18 F25 | V17-L21 HydrophobicContact CG1-CD1 3.97Å; V17-L21 HydrophobicContact CG1-CG 4.34Å; V17-L21 WeakPolarHBondContact O-CB 3.05Å; V17-L21 VanDerWaalsContact O-CG 3.28Å; V17-L21 WeakPolarHBondContact O-CG 3.17Å; V17-L21 PolarHBondContact O-N 3.48Å; C18-L21 PolarHBondContact O-N 3.37Å; L21-F25 WeakPolarHBondContact O-CB 3.39Å; L21-F25 PolarHBondContact O-N 2.81Å |
| 22 | F | 94.8 | Very high | 92.9 | Very high | 169 Ų | 169 | 100.9 Ų | 100.9 | 74% | 0.741 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 176.2 | -110.6 | -86.7 | 0 | 0 | 0 | 113 | C18 A19 L20 F25 G26 | C18-F22 WeakPolarHBondContact O-CB 3.32Å; C18-F22 PolarHBondContact O-N 2.71Å; A19-F22 PolarHBondContact O-N 2.75Å; L20-F22 PolarHBondContact O-N 2.71Å; F22-F25 PolarHBondContact O-N 3.35Å; F22-G26 PolarHBondContact O-N 2.88Å |
| 23 | M | 95.1 | Very high | 92.2 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 70% | 0.704 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -47.7 | 177.1 | -176.4 | -172 | 179.9 | 0 | 0 | 110.4 | A19 L20 W27 | A19-M23 VanDerWaalsContact O-CB 3.25Å; A19-M23 WeakPolarHBondContact O-CB 3.25Å; A19-M23 PolarHBondContact O-N 3.39Å; L20-M23 PolarHBondContact O-N 2.78Å; M23-W27 WeakPolarHBondContact O-CB 3.43Å; M23-W27 PolarHBondContact O-N 2.82Å |
| 24 | V | 91.9 | Very high | 91 | Very high | 65 Ų | 65 | 103.2 Ų | 103.2 | 39% | 0.394 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.1 | 168.6 | 0 | 0 | 0 | 0 | 109.9 | L20 W27 Y28 | L20-V24 WeakPolarHBondContact O-CB 3.23Å; L20-V24 WeakPolarHBondContact O-CG2 3.01Å; L20-V24 PolarHBondContact O-N 3.36Å; V24-W27 PolarHBondContact O-N 3.41Å; V24-Y28 HydrophobicContact CG1-CD2 3.58Å; V24-Y28 HydrophobicContact CG1-CE2 3.65Å; V24-Y28 HydrophobicContact CG1-CG 4.37Å; V24-Y28 WeakPolarHBondContact O-CA 3.12Å; V24-Y28 WeakPolarHBondContact O-CB 3.14Å; V24-Y28 WeakPolarHBondContact O-CD2 3.19Å; V24-Y28 PolarHBondContact O-N 3.41Å |
| 25 | F | 92.9 | Very high | 89.8 | Confident | 149 Ų | 149 | 105.2 Ų | 105.2 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | -178 | -156.9 | -91.6 | 0 | 0 | 0 | 111.9 | L21 F22 Y28 V29 | L21-F25 WeakPolarHBondContact O-CB 3.39Å; L21-F25 PolarHBondContact O-N 2.81Å; F22-F25 PolarHBondContact O-N 3.35Å; F25-Y28 PolarHBondContact O-N 3.44Å; F25-V29 HydrophobicContact CD1-CG2 3.8Å; F25-V29 HydrophobicContact CE1-CG2 3.74Å; F25-V29 VanDerWaalsContact O-CB 3.26Å; F25-V29 WeakPolarHBondContact O-CB 3.15Å; F25-V29 WeakPolarHBondContact O-CG2 3.43Å; F25-V29 PolarHBondContact O-N 2.81Å |
| 26 | G | 89.7 | Confident | 88.4 | Confident | 40 Ų | 40 | 104 Ų | 104 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F22 V29 V30 | F22-G26 PolarHBondContact O-N 2.88Å; G26-V29 PolarHBondContact O-N 3.35Å; G26-V30 WeakPolarHBondContact O-CG2 3.39Å; G26-V30 PolarHBondContact O-N 2.82Å |
| 27 | W | 90.3 | Very high | 86.9 | Confident | 163 Ų | 163 | 105.2 Ų | 105.2 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -46.3 | 175 | -176.4 | -94.4 | 0 | 0 | 0 | 112.1 | M23 V24 V30 W31 | M23-W27 WeakPolarHBondContact O-CB 3.43Å; M23-W27 PolarHBondContact O-N 2.82Å; V24-W27 PolarHBondContact O-N 3.41Å; W27-V30 PolarHBondContact O-N 3.44Å; W27-W31 HydrophobicContact CZ2-CE3 4.36Å; W27-W31 HydrophobicContact CZ2-CZ3 4.45Å; W27-W31 AromaticContact NE1-CE3 3.88Å; W27-W31 WeakPolarHBondContact O-CB 3.5Å; W27-W31 PolarHBondContact O-N 3.27Å |
| 28 | Y | 90.6 | Very high | 85.2 | Confident | 141 Ų | 141 | 107.3 Ų | 107.3 | 55% | 0.553 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.6 | -31.9 | 178.3 | -89.1 | -114.3 | 0 | 0 | 0 | 112.1 | V24 F25 Q32 | V24-Y28 HydrophobicContact CG1-CD2 3.58Å; V24-Y28 HydrophobicContact CG1-CE2 3.65Å; V24-Y28 HydrophobicContact CG1-CG 4.37Å; V24-Y28 WeakPolarHBondContact O-CA 3.12Å; V24-Y28 WeakPolarHBondContact O-CB 3.14Å; V24-Y28 WeakPolarHBondContact O-CD2 3.19Å; V24-Y28 PolarHBondContact O-N 3.41Å; F25-Y28 PolarHBondContact O-N 3.44Å; Y28-Q32 WeakPolarHBondContact O-CA 3.19Å; Y28-Q32 WeakPolarHBondContact O-CB 3.17Å; Y28-Q32 WeakPolarHBondContact O-CG 3.22Å; Y28-Q32 PolarHBondContact O-N 3.4Å |
| 29 | V | 88.4 | Confident | 83.8 | Confident | 62 Ų | 62 | 109.4 Ų | 109.4 | 38% | 0.376 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 172.9 | 165.3 | 0 | 0 | 0 | 0 | 110.4 | F25 G26 Q32 L33 | F25-V29 HydrophobicContact CD1-CG2 3.8Å; F25-V29 HydrophobicContact CE1-CG2 3.74Å; F25-V29 VanDerWaalsContact O-CB 3.26Å; F25-V29 WeakPolarHBondContact O-CB 3.15Å; F25-V29 WeakPolarHBondContact O-CG2 3.43Å; F25-V29 PolarHBondContact O-N 2.81Å; G26-V29 PolarHBondContact O-N 3.35Å; V29-Q32 PolarHBondContact O-N 2.86Å; V29-L33 HydrophobicContact CG1-CD1 3.8Å; V29-L33 HydrophobicContact CG1-CG 4.36Å; V29-L33 WeakPolarHBondContact O-CB 3.13Å; V29-L33 WeakPolarHBondContact O-CG 3.06Å; V29-L33 PolarHBondContact O-N 3.34Å |
| 30 | V | 87.1 | Confident | 82.1 | Confident | 87 Ų | 87 | 113 Ų | 113 | 53% | 0.527 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 171.9 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | G26 W27 L33 F34 | G26-V30 WeakPolarHBondContact O-CG2 3.39Å; G26-V30 PolarHBondContact O-N 2.82Å; W27-V30 PolarHBondContact O-N 3.44Å; V30-L33 PolarHBondContact O-N 2.8Å; V30-F34 WeakPolarHBondContact O-CB 3.2Å; V30-F34 PolarHBondContact O-N 3.3Å |
| 31 | W | 84.4 | Confident | 80.7 | Confident | 149 Ų | 149 | 113 Ų | 113 | 56% | 0.564 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.5 | -39.7 | 177.9 | -171 | -87.1 | 0 | 0 | 0 | 112.4 | W27 F34 L35 | W27-W31 HydrophobicContact CZ2-CE3 4.36Å; W27-W31 HydrophobicContact CZ2-CZ3 4.45Å; W27-W31 AromaticContact NE1-CE3 3.88Å; W27-W31 WeakPolarHBondContact O-CB 3.5Å; W27-W31 PolarHBondContact O-N 3.27Å; W31-F34 PolarHBondContact O-N 2.83Å; W31-L35 VanDerWaalsContact NE1-CD1 3.29Å; W31-L35 WeakPolarHBondContact O-CB 3.2Å; W31-L35 PolarHBondContact O-N 2.84Å |
| 32 | Q | 81.5 | Confident | 79.4 | Confident | 106 Ų | 106 | 117.3 Ų | 117.3 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.4 | -35.9 | 175.3 | -80.8 | -76.1 | 26.3 | 0 | 0 | 112.3 | Y28 V29 F34 S36 | Y28-Q32 WeakPolarHBondContact O-CA 3.19Å; Y28-Q32 WeakPolarHBondContact O-CB 3.17Å; Y28-Q32 WeakPolarHBondContact O-CG 3.22Å; Y28-Q32 PolarHBondContact O-N 3.4Å; V29-Q32 PolarHBondContact O-N 2.86Å; Q32-F34 VanDerWaalsContact C-N 3.31Å; Q32-S36 WeakPolarHBondContact O-CA 3.43Å; Q32-S36 WeakPolarHBondContact O-CB 3.13Å; Q32-S36 PolarHBondContact O-N 3.26Å; Q32-S36 PolarHBondContact O-OG 2.85Å |
| 33 | L | 81.1 | Confident | 78 | Confident | 97 Ų | 97 | 113.6 Ų | 113.6 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 171.8 | -77.2 | 167.4 | 0 | 0 | 0 | 110 | V29 V30 K37 | V29-L33 HydrophobicContact CG1-CD1 3.8Å; V29-L33 HydrophobicContact CG1-CG 4.36Å; V29-L33 WeakPolarHBondContact O-CB 3.13Å; V29-L33 WeakPolarHBondContact O-CG 3.06Å; V29-L33 PolarHBondContact O-N 3.34Å; V30-L33 PolarHBondContact O-N 2.8Å; L33-K37 WeakPolarHBondContact O-CB 3.37Å; L33-K37 WeakPolarHBondContact O-CG 3.18Å; L33-K37 PolarHBondContact O-N 3.46Å |
| 34 | F | 72.9 | Confident | 76.4 | Confident | 133 Ų | 133 | 111.5 Ų | 111.5 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.7 | -57.3 | 170.3 | -107 | -101.2 | 0 | 0 | 0 | 111.5 | V30 W31 Q32 S36 K37 F38 | V30-F34 WeakPolarHBondContact O-CB 3.2Å; V30-F34 PolarHBondContact O-N 3.3Å; W31-F34 PolarHBondContact O-N 2.83Å; Q32-F34 VanDerWaalsContact C-N 3.31Å; F34-S36 VanDerWaalsContact C-N 3.35Å; F34-S36 PolarHBondContact O-N 3.28Å; F34-K37 PolarHBondContact O-N 2.87Å; F34-F38 AromaticContact CD1-CD2 3.93Å; F34-F38 HydrophobicContact CD1-CD2 3.93Å; F34-F38 AromaticContact CD1-CE2 3.77Å; F34-F38 HydrophobicContact CD1-CE2 3.77Å; F34-F38 HydrophobicContact CE1-CD2 4.5Å; F34-F38 AromaticContact CE1-CE2 3.89Å; F34-F38 HydrophobicContact CE1-CE2 3.89Å; F34-F38 VanDerWaalsContact O-CB 3.32Å; F34-F38 WeakPolarHBondContact O-CB 3.26Å; F34-F38 WeakPolarHBondContact O-CD2 3.4Å; F34-F38 PolarHBondContact O-N 2.85Å |
| 35 | L | 70.8 | Confident | 74.8 | Confident | 93 Ų | 93 | 114.6 Ų | 114.6 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -34.3 | -179.1 | -88.7 | 165 | 0 | 0 | 0 | 113.4 | W31 F38 K39 | W31-L35 VanDerWaalsContact NE1-CD1 3.29Å; W31-L35 WeakPolarHBondContact O-CB 3.2Å; W31-L35 PolarHBondContact O-N 2.84Å; L35-F38 CarbonylContact O-C 3.59Å; L35-K39 WeakPolarHBondContact O-CA 3.32Å; L35-K39 WeakPolarHBondContact O-CB 3.48Å; L35-K39 PolarHBondContact O-N 3.43Å |
| 36 | S | 67.9 | Low | 73.1 | Confident | 63 Ų | 63 | 109.6 Ų | 109.6 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.7 | -36.4 | 176.7 | -60 | 0 | 0 | 0 | 0 | 111.4 | Q32 F34 F40 | Q32-S36 WeakPolarHBondContact O-CA 3.43Å; Q32-S36 WeakPolarHBondContact O-CB 3.13Å; Q32-S36 PolarHBondContact O-N 3.26Å; Q32-S36 PolarHBondContact O-OG 2.85Å; F34-S36 VanDerWaalsContact C-N 3.35Å; F34-S36 PolarHBondContact O-N 3.28Å; S36-F40 VanDerWaalsContact O-CB 3.25Å; S36-F40 WeakPolarHBondContact O-CB 3.25Å; S36-F40 PolarHBondContact O-N 2.83Å |
| 37 | K | 64.7 | Low | 71.4 | Confident | 134 Ų | 134 | 113.4 Ų | 113.4 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.5 | -34.4 | 169.8 | -69.9 | -76.4 | 170 | 64.2 | 0 | 111.7 | L33 F34 F40 L41 | L33-K37 WeakPolarHBondContact O-CB 3.37Å; L33-K37 WeakPolarHBondContact O-CG 3.18Å; L33-K37 PolarHBondContact O-N 3.46Å; F34-K37 PolarHBondContact O-N 2.87Å; K37-F40 CarbonylContact O-C 3.58Å; K37-F40 PolarHBondContact O-N 3.31Å; K37-L41 WeakPolarHBondContact O-CB 3.43Å; K37-L41 WeakPolarHBondContact O-CD1 3.19Å; K37-L41 PolarHBondContact O-N 2.97Å |
| 38 | F | 62.1 | Low | 69.5 | Low | 119 Ų | 119 | 110.2 Ų | 110.2 | 52% | 0.522 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.9 | -26.5 | 173.4 | -90.8 | -80.7 | 0 | 0 | 0 | 113.7 | F34 L35 L41 R42 | F34-F38 AromaticContact CD1-CD2 3.93Å; F34-F38 HydrophobicContact CD1-CD2 3.93Å; F34-F38 AromaticContact CD1-CE2 3.77Å; F34-F38 HydrophobicContact CD1-CE2 3.77Å; F34-F38 HydrophobicContact CE1-CD2 4.5Å; F34-F38 AromaticContact CE1-CE2 3.89Å; F34-F38 HydrophobicContact CE1-CE2 3.89Å; F34-F38 VanDerWaalsContact O-CB 3.32Å; F34-F38 WeakPolarHBondContact O-CB 3.26Å; F34-F38 WeakPolarHBondContact O-CD2 3.4Å; F34-F38 PolarHBondContact O-N 2.85Å; L35-F38 CarbonylContact O-C 3.59Å; F38-L41 CarbonylContact O-C 3.56Å; F38-R42 VanDerWaalsContact O-CB 3.23Å; F38-R42 WeakPolarHBondContact O-CB 3.37Å; F38-R42 PolarHBondContact O-N 3.33Å |
| 39 | K | 65.3 | Low | 67.4 | Low | 120 Ų | 120 | 106.2 Ų | 106.2 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.1 | -40.4 | 168.5 | 173.8 | 168.2 | 149.8 | 54.4 | 0 | 110.1 | L35 L41 R42 E43 | L35-K39 WeakPolarHBondContact O-CA 3.32Å; L35-K39 WeakPolarHBondContact O-CB 3.48Å; L35-K39 PolarHBondContact O-N 3.43Å; K39-L41 VanDerWaalsContact C-N 3.35Å; K39-L41 PolarHBondContact O-N 3.43Å; K39-R42 CarbonylContact O-C 3.56Å; K39-R42 PolarHBondContact O-N 2.83Å; K39-E43 IonicContact NZ-OE1 2.59Å; K39-E43 PolarHBondContact NZ-OE1 3.41Å; K39-E43 IonicContact NZ-OE2 3.6Å; K39-E43 WeakPolarHBondContact O-CB 3.28Å; K39-E43 WeakPolarHBondContact O-CG 3.27Å; K39-E43 PolarHBondContact O-N 3.49Å |
| 40 | F | 60.1 | Low | 65.5 | Low | 130 Ų | 130 | 106.1 Ų | 106.1 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.8 | -34.9 | 168.7 | -160.2 | -89.3 | 0 | 0 | 0 | 112.4 | S36 K37 M44 | S36-F40 VanDerWaalsContact O-CB 3.25Å; S36-F40 WeakPolarHBondContact O-CB 3.25Å; S36-F40 PolarHBondContact O-N 2.83Å; K37-F40 CarbonylContact O-C 3.58Å; K37-F40 PolarHBondContact O-N 3.31Å; F40-M44 HydrophobicContact CD1-CG 4.02Å; F40-M44 HydrophobicContact CE1-CG 3.94Å; F40-M44 HydrophobicContact CE1-SD 4.48Å; F40-M44 WeakPolarHBondContact O-CB 3.47Å; F40-M44 VanDerWaalsContact O-CG 3.23Å; F40-M44 WeakPolarHBondContact O-CG 3.35Å; F40-M44 PolarHBondContact O-N 2.89Å |
| 41 | L | 66.9 | Low | 63.5 | Low | 100 Ų | 100 | 107 Ų | 107 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.5 | -28.1 | 168.7 | -99 | 101.3 | 0 | 0 | 0 | 112.4 | K37 F38 K39 L45 | K37-L41 WeakPolarHBondContact O-CB 3.43Å; K37-L41 WeakPolarHBondContact O-CD1 3.19Å; K37-L41 PolarHBondContact O-N 2.97Å; F38-L41 CarbonylContact O-C 3.56Å; K39-L41 VanDerWaalsContact C-N 3.35Å; K39-L41 PolarHBondContact O-N 3.43Å; L41-L45 WeakPolarHBondContact O-CA 3.29Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 PolarHBondContact O-N 3.02Å |
| 42 | R | 68 | Low | 61.7 | Low | 200 Ų | 200 | 107.5 Ų | 107.5 | 76% | 0.755 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -84.5 | -24.3 | 177.1 | -176 | 161 | -70.7 | 169.1 | 0.5 | 112.5 | F38 K39 G46 | F38-R42 VanDerWaalsContact O-CB 3.23Å; F38-R42 WeakPolarHBondContact O-CB 3.37Å; F38-R42 PolarHBondContact O-N 3.33Å; K39-R42 CarbonylContact O-C 3.56Å; K39-R42 PolarHBondContact O-N 2.83Å; R42-G46 VanDerWaalsContact O-CA 3.26Å; R42-G46 WeakPolarHBondContact O-CA 3.37Å; R42-G46 PolarHBondContact O-N 3.48Å |
| 43 | E | 65.9 | Low | 59.8 | Low | 91 Ų | 91 | 107.7 Ų | 107.7 | 43% | 0.425 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74.3 | -48.2 | 164.3 | -77.8 | 157.1 | 162.9 | 0 | 0 | 108.9 | K39 L45 G46 D47 | K39-E43 IonicContact NZ-OE1 2.59Å; K39-E43 PolarHBondContact NZ-OE1 3.41Å; K39-E43 IonicContact NZ-OE2 3.6Å; K39-E43 WeakPolarHBondContact O-CB 3.28Å; K39-E43 WeakPolarHBondContact O-CG 3.27Å; K39-E43 PolarHBondContact O-N 3.49Å; E43-L45 PolarHBondContact O-N 2.9Å; E43-G46 PolarHBondContact O-N 3.35Å; E43-G46 VanDerWaalsContact O-N 3.17Å; E43-D47 WeakPolarHBondContact O-CB 3.31Å; E43-D47 PolarHBondContact O-N 3.28Å |
| 44 | M | 61.4 | Low | 58.1 | Low | 100 Ų | 100 | 111.4 Ų | 111.4 | 49% | 0.493 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.7 | -41.5 | 173.6 | -77.2 | -101.1 | 60 | 0 | 0 | 114 | F40 G46 T48 | F40-M44 HydrophobicContact CD1-CG 4.02Å; F40-M44 HydrophobicContact CE1-CG 3.94Å; F40-M44 HydrophobicContact CE1-SD 4.48Å; F40-M44 WeakPolarHBondContact O-CB 3.47Å; F40-M44 VanDerWaalsContact O-CG 3.23Å; F40-M44 WeakPolarHBondContact O-CG 3.35Å; F40-M44 PolarHBondContact O-N 2.89Å; M44-G46 VanDerWaalsContact C-N 3.33Å; M44-T48 HydrophobicContact CE-CG2 4.42Å; M44-T48 VanDerWaalsContact O-CB 3.28Å; M44-T48 WeakPolarHBondContact O-CB 3.27Å; M44-T48 VanDerWaalsContact O-CG2 3.31Å; M44-T48 WeakPolarHBondContact O-CG2 3.43Å; M44-T48 PolarHBondContact O-N 3.49Å; M44-T48 PolarHBondContact O-OG1 3.46Å |
| 45 | L | 59.5 | Low | 56.9 | Low | 130 Ų | 130 | 111.9 Ų | 111.9 | 68% | 0.681 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.5 | -18.3 | 175.7 | -171.5 | 64.1 | 0 | 0 | 0 | 112.3 | L41 E43 T48 G49 | L41-L45 WeakPolarHBondContact O-CA 3.29Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 PolarHBondContact O-N 3.02Å; E43-L45 PolarHBondContact O-N 2.9Å; L45-T48 WeakPolarHBondContact CA-OG1 3.31Å; L45-G49 PolarHBondContact O-N 2.92Å |
| 46 | G | 56.6 | Low | 55.2 | Low | 43 Ų | 43 | 115.4 Ų | 115.4 | 44% | 0.443 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -80 | -48.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R42 E43 M44 G49 S50 | R42-G46 VanDerWaalsContact O-CA 3.26Å; R42-G46 WeakPolarHBondContact O-CA 3.37Å; R42-G46 PolarHBondContact O-N 3.48Å; E43-G46 PolarHBondContact O-N 3.35Å; E43-G46 VanDerWaalsContact O-N 3.17Å; M44-G46 VanDerWaalsContact C-N 3.33Å; G46-G49 WeakPolarHBondContact O-CA 3.35Å; G46-G49 PolarHBondContact O-N 2.94Å; G46-S50 PolarHBondContact O-N 3.38Å |
| 47 | D | 53.5 | Low | 54.1 | Low | 121 Ų | 121 | 117 Ų | 117 | 65% | 0.647 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.6 | -35.3 | 173.2 | -93.1 | -47.5 | 0 | 0 | 0 | 112 | E43 G49 S50 | E43-D47 WeakPolarHBondContact O-CB 3.31Å; E43-D47 PolarHBondContact O-N 3.28Å; D47-G49 VanDerWaalsContact C-N 3.28Å; D47-G49 PolarHBondContact O-N 3.06Å; D47-S50 CarbonylContact O-C 3.48Å; D47-S50 PolarHBondContact O-N 3.41Å; D47-S50 VanDerWaalsContact O-N 3.08Å |
| 48 | T | 50.2 | Low | 52.7 | Low | 96 Ų | 96 | 114.9 Ų | 114.9 | 59% | 0.589 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -10 | 169.7 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | M44 L45 | M44-T48 HydrophobicContact CE-CG2 4.42Å; M44-T48 VanDerWaalsContact O-CB 3.28Å; M44-T48 WeakPolarHBondContact O-CB 3.27Å; M44-T48 VanDerWaalsContact O-CG2 3.31Å; M44-T48 WeakPolarHBondContact O-CG2 3.43Å; M44-T48 PolarHBondContact O-N 3.49Å; M44-T48 PolarHBondContact O-OG1 3.46Å; L45-T48 WeakPolarHBondContact CA-OG1 3.31Å |
| 49 | G | 47.3 | Very low | 51.7 | Low | 57 Ų | 57 | 118.1 Ų | 118.1 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -11.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L45 G46 D47 P51 | L45-G49 PolarHBondContact O-N 2.92Å; G46-G49 WeakPolarHBondContact O-CA 3.35Å; G46-G49 PolarHBondContact O-N 2.94Å; D47-G49 VanDerWaalsContact C-N 3.28Å; D47-G49 PolarHBondContact O-N 3.06Å; G49-P51 VanDerWaalsContact C-CD 3.44Å; G49-P51 WeakPolarHBondContact O-CD 3.48Å |
| 50 | S | 47.7 | Very low | 50.1 | Low | 59 Ų | 59 | 117.3 Ų | 117.3 | 41% | 0.413 | 65% | 0.645 | S | S | . | * | trans | -109.1 | 85.7 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | G46 D47 Q52 | G46-S50 PolarHBondContact O-N 3.38Å; D47-S50 CarbonylContact O-C 3.48Å; D47-S50 PolarHBondContact O-N 3.41Å; D47-S50 VanDerWaalsContact O-N 3.08Å; S50-Q52 PolarHBondContact O-N 3.23Å; S50-Q52 VanDerWaalsContact O-N 3.12Å; S50-Q52 WeakPolarHBondContact OG-CB 3.47Å; S50-Q52 PolarHBondContact OG-N 3.22Å | ||
| 51 | P | 45.2 | Very low | 48.9 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | trans | -78 | 55.1 | 147.7 | 36.4 | -33.1 | 0 | 0 | 0 | 109.6 | G49 T53 | G49-P51 VanDerWaalsContact C-CD 3.44Å; G49-P51 WeakPolarHBondContact O-CD 3.48Å; P51-T53 VanDerWaalsContact O-CB 3.25Å; P51-T53 WeakPolarHBondContact O-CB 3.26Å; P51-T53 PolarHBondContact O-OG1 3.1Å | ||
| 52 | Q | 46.7 | Very low | 47.3 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | -98.7 | 74.3 | 155.2 | -168.7 | 174.8 | 66.2 | 0 | 0 | 105.8 | S50 E54 | S50-Q52 PolarHBondContact O-N 3.23Å; S50-Q52 VanDerWaalsContact O-N 3.12Å; S50-Q52 WeakPolarHBondContact OG-CB 3.47Å; S50-Q52 PolarHBondContact OG-N 3.22Å; Q52-E54 PolarHBondContact O-N 3Å | ||
| 53 | T | 42.7 | Very low | 45.6 | Very low | 109 Ų | 109 | 118 Ų | 118 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | 41.2 | 50.9 | 71.8 | -43.7 | 0 | 0 | 0 | 0 | 112 | P51 | P51-T53 VanDerWaalsContact O-CB 3.25Å; P51-T53 WeakPolarHBondContact O-CB 3.26Å; P51-T53 PolarHBondContact O-OG1 3.1Å | |||
| 54 | E | 45.6 | Very low | 44.6 | Very low | 176 Ų | 176 | 121.3 Ų | 121.3 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | trans | -150 | 60.9 | 145.9 | -132.5 | 175 | 117.1 | 0 | 0 | 114 | Q52 | Q52-E54 PolarHBondContact O-N 3Š| ||
| 55 | T | 46.7 | Very low | 43.8 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 87% | 0.871 | 69% | 0.685 | S | S | * | * | trans | -97 | 100.7 | 145.7 | -58.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 56 | Q | 35.1 | Very low | 42.6 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | -174.6 | 173.2 | 126.4 | -115 | -153.3 | 97.4 | 0 | 0 | 111.8 | |||||
| 57 | P | 45.6 | Very low | 42 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 62% | 0.623 | 69% | 0.689 | S | S | * | * | -123.2 | -151.9 | -125.8 | 42.6 | -22.8 | 0 | 0 | 0 | 112.2 | |||||
| 58 | S | 34.8 | Very low | 42.3 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | trans | 69 | 106.7 | 179.2 | -69.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 59 | E | 40.8 | Very low | 42 | Very low | 187 Ų | 187 | 123.8 Ų | 123.8 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | 59.6 | 85.1 | 85.9 | -67.8 | -171.3 | 102.2 | 0 | 0 | 113.6 | |||||
| 60 | S | 32.3 | Very low | 41.9 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -155 | 97.5 | 146.4 | 32.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 61 | K | 34.4 | Very low | 41.7 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -42.4 | 126.9 | 167.3 | -179.2 | 168.7 | -179.6 | 172 | 0 | 114.3 | ||||
| 62 | S | 32.4 | Very low | 41.9 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 52% | 0.517 | 73% | 0.733 | S | S | . | * | trans | 75.8 | 140.2 | 156.8 | 93.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 63 | K | 33.6 | Very low | 42 | Very low | 175 Ų | 175 | 141 Ų | 141 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | S | Bend | cis | -136.6 | 137.4 | 3.8 | -68.3 | 172.9 | 178.7 | 166.4 | 0 | 107.5 | ||
| 64 | H | 43.6 | Very low | 42.2 | Very low | 160 Ų | 160 | 143 Ų | 143 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | S | Bend | -81.6 | -59.3 | 63.3 | -164.4 | -14.4 | 0 | 0 | 0 | 115.7 | S66 | H64-S66 VanDerWaalsContact N-N 3.15Å; H64-S66 PolarHBondContact N-O 3.49Å | |
| 65 | T | 46.2 | Very low | 42.1 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | S | Bend | cis | 50.9 | 61.4 | -26.4 | 52.3 | 0 | 0 | 0 | 0 | 119 | ||
| 66 | S | 33.7 | Very low | 42.4 | Very low | 97 Ų | 97 | 144 Ų | 144 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 72.1 | 139.8 | 162.2 | -51.3 | 0 | 0 | 0 | 0 | 117.4 | H64 | H64-S66 VanDerWaalsContact N-N 3.15Å; H64-S66 PolarHBondContact N-O 3.49Å |
| 67 | P | 43.7 | Very low | 43.2 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 54% | 0.539 | 74% | 0.738 | S | S | . | * | trans | -116.7 | -178.9 | -165.4 | 41.6 | -27.1 | 0 | 0 | 0 | 114.7 | ||||
| 68 | P | 59 | Low | 43.5 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | trans | -119 | -176.8 | -164.7 | 41 | -29.4 | 0 | 0 | 0 | 115.9 | ||||
| 69 | T | 45.9 | Very low | 44.3 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 94.3 | 126.4 | 157 | -39.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 70 | Q | 43.2 | Very low | 45 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 169.5 | 168.6 | 104.6 | -157.6 | 169.9 | 44.9 | 0 | 0 | 112.8 | |||||
| 71 | R | 44.4 | Very low | 45.9 | Very low | 216 Ų | 216 | 155 Ų | 155 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | trans | 74.5 | 83.4 | 176.2 | -55.8 | -176.1 | 178.4 | -165 | 0.2 | 113.9 | ||||
| 72 | Q | 49.8 | Very low | 46.7 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | cis | 52.5 | 120.4 | 47.9 | -151.1 | -161.3 | -8 | 0 | 0 | 113.5 | ||||
| 73 | R | 49 | Very low | 47.8 | Very low | 206 Ų | 206 | 152.8 Ų | 152.8 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | 67.7 | 97.8 | 154.3 | -119.9 | -175.4 | 175.8 | -159.6 | -0.2 | 117.7 | ||||
| 74 | L | 47.1 | Very low | 48.5 | Very low | 150 Ų | 150 | 150 Ų | 150 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | -175.9 | 94 | 108 | -120.5 | 67.5 | 0 | 0 | 0 | 111.4 | |||||
| 75 | K | 42.4 | Very low | 49.1 | Very low | 211 Ų | 211 | 150.1 Ų | 150.1 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -135.9 | 42.5 | 158.1 | -144.9 | 169 | -172.2 | 175.3 | 0 | 111 | A77 | K75-A77 VanDerWaalsContact C-N 3.31Å; K75-A77 PolarHBondContact O-N 3.35Å; K75-A77 VanDerWaalsContact O-N 3.13Å | ||
| 76 | T | 52.7 | Low | 49.3 | Very low | 130 Ų | 130 | 152 Ų | 152 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -84.9 | 71.9 | 177.4 | -47 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 77 | A | 51.9 | Low | 50.3 | Low | 85 Ų | 85 | 153.3 Ų | 153.3 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | -145.9 | 96.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K75 | K75-A77 VanDerWaalsContact C-N 3.31Å; K75-A77 PolarHBondContact O-N 3.35Å; K75-A77 VanDerWaalsContact O-N 3.13Å | ||
| 78 | R | 52.6 | Low | 50.2 | Low | 244 Ų | 244 | 159.3 Ų | 159.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 88.8 | 87.9 | -176.6 | -61.6 | 177.6 | 152.4 | 179.9 | -6.9 | 117.1 | ||
| 79 | Q | 52.4 | Low | 49.8 | Very low | 186 Ų | 186 | 161.6 Ų | 161.6 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | -159.3 | 92.5 | 109.1 | -117.6 | 174 | -25.9 | 0 | 0 | 110.6 | V81 | Q79-V81 PolarHBondContact O-N 3.07Š| |||
| 80 | R | 53.6 | Low | 50 | Low | 245 Ų | 245 | 163.3 Ų | 163.3 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -89.6 | 89.7 | 167.8 | -175.6 | -170.7 | -166 | -173.3 | 5.3 | 107.7 | ||||
| 81 | V | 51.6 | Low | 50.4 | Low | 113 Ų | 113 | 163.6 Ų | 163.6 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | -140 | 89.1 | 168.8 | -175.4 | 0 | 0 | 0 | 0 | 103.9 | Q79 | Q79-V81 PolarHBondContact O-N 3.07Š| ||
| 82 | V | 51 | Low | 50.7 | Low | 125 Ų | 125 | 160.5 Ų | 160.5 | 76% | 0.758 | 82% | 0.821 | S | S | * | * | 71.3 | 129.9 | 93 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 83 | P | 57.1 | Low | 50.8 | Low | 100 Ų | 100 | 160.3 Ų | 160.3 | 65% | 0.649 | 83% | 0.825 | S | S | * | * | trans | -95.3 | -175.4 | -151.5 | 40.7 | -37.9 | 0 | 0 | 0 | 113.2 | ||||
| 84 | P | 48.2 | Very low | 50.9 | Low | 117 Ų | 117 | 157.3 Ų | 157.3 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -113.3 | 130.5 | 139.5 | 34 | -26.9 | 0 | 0 | 0 | 111.4 | ||||
| 85 | E | 56.2 | Low | 51.2 | Low | 162 Ų | 162 | 157.8 Ų | 157.8 | 76% | 0.757 | 83% | 0.831 | S | S | * | * | trans | -63 | 142.2 | 158.2 | 54.3 | -103.4 | 62.2 | 0 | 0 | 112.6 | ||||
| 86 | N | 50 | Low | 51.8 | Low | 156 Ų | 156 | 153.7 Ų | 153.7 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -148.4 | 98.8 | 148.3 | 63.1 | -36.1 | 0 | 0 | 0 | 111.2 | ||||
| 87 | T | 53.5 | Low | 51.7 | Low | 126 Ų | 126 | 155.7 Ų | 155.7 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -70.6 | 141.5 | 168 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 88 | T | 42.9 | Very low | 51.7 | Low | 209 Ų | 209 | 162.1 Ų | 162.1 | 100% | 1.282 | 84% | 0.837 | S | S | * | * | trans | 35.2 | 0 | 156.6 | -55.1 | 0 | 0 | 0 | 0 | 118.7 |
Retrieved 88 of 88 residues in 548.7 ms
(Link to these results)