| 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 | 63.8 | Low | 87.8 | Confident | 200 Ų | 200 | 121.5 Ų | 121.5 | 99% | 0.985 | 64% | 0.643 | S | S | * | * | 0 | -46.8 | 0 | -61.3 | 170.8 | 83.3 | 0 | 0 | 112.2 | H3 S4 V5 | M1-H3 VanDerWaalsContact C-N 3.35Å; M1-H3 PolarHBondContact O-N 3.03Å; M1-S4 PolarHBondContact O-N 3.23Å; M1-V5 PolarHBondContact O-N 2.99Å | |||
| 2 | W | 78.4 | Confident | 88.5 | Confident | 235 Ų | 235 | 122.5 Ų | 122.5 | 89% | 0.89 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -57.3 | -36.7 | 178.5 | -79.6 | 78.3 | 0 | 0 | 0 | 115.6 | S4 V5 G6 | W2-S4 PolarHBondContact O-N 2.84Å; W2-V5 PolarHBondContact O-N 2.98Å; W2-G6 PolarHBondContact O-N 3.02Å |
| 3 | H | 82.4 | Confident | 89.2 | Confident | 161 Ų | 161 | 118.8 Ų | 118.8 | 75% | 0.745 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.5 | -44.4 | 177.1 | -88.4 | -103.8 | 0 | 0 | 0 | 113 | M1 V5 G6 L7 | M1-H3 VanDerWaalsContact C-N 3.35Å; M1-H3 PolarHBondContact O-N 3.03Å; H3-V5 VanDerWaalsContact C-N 3.32Å; H3-V5 PolarHBondContact O-N 2.78Å; H3-G6 PolarHBondContact O-N 2.8Å; H3-L7 WeakPolarHBondContact O-CB 3Å; H3-L7 WeakPolarHBondContact O-CD1 3.47Å; H3-L7 WeakPolarHBondContact O-CG 3.36Å; H3-L7 PolarHBondContact O-N 2.89Å |
| 4 | S | 87.6 | Confident | 89.7 | Confident | 76 Ų | 76 | 113.3 Ų | 113.3 | 53% | 0.531 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.1 | -41.7 | 178.7 | -48 | 0 | 0 | 0 | 0 | 110.8 | M1 W2 L7 T8 | M1-S4 PolarHBondContact O-N 3.23Å; W2-S4 PolarHBondContact O-N 2.84Å; S4-L7 PolarHBondContact O-N 3.32Å; S4-T8 PolarHBondContact O-N 3.02Å; S4-T8 PolarHBondContact O-OG1 2.82Å |
| 5 | V | 91.9 | Very high | 90.1 | Very high | 95 Ų | 95 | 110.6 Ų | 110.6 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63 | -43.4 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | M1 W2 H3 T8 L9 | M1-V5 PolarHBondContact O-N 2.99Å; W2-V5 PolarHBondContact O-N 2.98Å; H3-V5 VanDerWaalsContact C-N 3.32Å; H3-V5 PolarHBondContact O-N 2.78Å; V5-T8 PolarHBondContact O-N 2.72Å; V5-L9 VanDerWaalsContact O-CB 3.27Å; V5-L9 WeakPolarHBondContact O-CB 3.29Å; V5-L9 PolarHBondContact O-N 3.47Å |
| 6 | G | 91.3 | Very high | 90.6 | Very high | 39 Ų | 39 | 109.6 Ų | 109.6 | 40% | 0.402 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W2 H3 L9 L10 | W2-G6 PolarHBondContact O-N 3.02Å; H3-G6 PolarHBondContact O-N 2.8Å; G6-L9 PolarHBondContact O-N 2.68Å; G6-L10 VanDerWaalsContact O-CB 3.25Å; G6-L10 WeakPolarHBondContact O-CB 3.16Å; G6-L10 PolarHBondContact O-N 3.25Å |
| 7 | L | 92.7 | Very high | 90.9 | Very high | 108 Ų | 108 | 108.8 Ų | 108.8 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.9 | -46.5 | 175.3 | -80.7 | 152.6 | 0 | 0 | 0 | 111.6 | H3 S4 L10 V11 | H3-L7 WeakPolarHBondContact O-CB 3Å; H3-L7 WeakPolarHBondContact O-CD1 3.47Å; H3-L7 WeakPolarHBondContact O-CG 3.36Å; H3-L7 PolarHBondContact O-N 2.89Å; S4-L7 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 2.58Å; L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 3.4Å |
| 8 | T | 93 | Very high | 91.2 | Very high | 99 Ų | 99 | 108 Ų | 108 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.3 | -41 | 178.5 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | S4 V5 V11 F12 | S4-T8 PolarHBondContact O-N 3.02Å; S4-T8 PolarHBondContact O-OG1 2.82Å; V5-T8 PolarHBondContact O-N 2.72Å; T8-V11 PolarHBondContact O-N 3.35Å; T8-F12 WeakPolarHBondContact O-CB 3.48Å; T8-F12 PolarHBondContact O-N 2.88Å |
| 9 | L | 94.3 | Very high | 91.4 | Very high | 115 Ų | 115 | 107 Ų | 107 | 60% | 0.602 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.5 | -44.4 | 176.3 | -165.5 | 93 | 0 | 0 | 0 | 111.1 | V5 G6 V11 F12 V13 | V5-L9 VanDerWaalsContact O-CB 3.27Å; V5-L9 WeakPolarHBondContact O-CB 3.29Å; V5-L9 PolarHBondContact O-N 3.47Å; G6-L9 PolarHBondContact O-N 2.68Å; L9-V11 PolarHBondContact O-N 2.85Å; L9-F12 PolarHBondContact O-N 3.43Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.08Å |
| 10 | L | 95.4 | Very high | 91.6 | Very high | 119 Ų | 119 | 107.2 Ų | 107.2 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.8 | -44.7 | 178 | -175.6 | 70 | 0 | 0 | 0 | 111.2 | G6 L7 F12 V13 A14 | G6-L10 VanDerWaalsContact O-CB 3.25Å; G6-L10 WeakPolarHBondContact O-CB 3.16Å; G6-L10 PolarHBondContact O-N 3.25Å; L7-L10 PolarHBondContact O-N 2.58Å; L10-F12 VanDerWaalsContact C-N 3.34Å; L10-V13 PolarHBondContact O-N 3.08Å; L10-A14 VanDerWaalsContact O-CB 3.23Å; L10-A14 WeakPolarHBondContact O-CB 3.1Å; L10-A14 PolarHBondContact O-N 3.09Å |
| 11 | V | 95.2 | Very high | 91.8 | Very high | 90 Ų | 90 | 106.3 Ų | 106.3 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.4 | -45.3 | 175.5 | 168.1 | 0 | 0 | 0 | 0 | 110.5 | L7 T8 L9 V13 A14 T15 | L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 3.4Å; T8-V11 PolarHBondContact O-N 3.35Å; L9-V11 PolarHBondContact O-N 2.85Å; V11-V13 PolarHBondContact O-N 3.43Å; V11-A14 PolarHBondContact O-N 2.95Å; V11-T15 WeakPolarHBondContact O-CB 3.15Å; V11-T15 PolarHBondContact O-N 3.25Å; V11-T15 PolarHBondContact O-OG1 2.87Å |
| 12 | F | 96.4 | Very high | 93.1 | Very high | 133 Ų | 133 | 102.5 Ų | 102.5 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.9 | -45.7 | 179.1 | -171 | -103.9 | 0 | 0 | 0 | 112.2 | T8 L9 L10 T15 L16 | T8-F12 WeakPolarHBondContact O-CB 3.48Å; T8-F12 PolarHBondContact O-N 2.88Å; L9-F12 PolarHBondContact O-N 3.43Å; L10-F12 VanDerWaalsContact C-N 3.34Å; F12-T15 PolarHBondContact O-N 3.26Å; F12-L16 HydrophobicContact CD1-CD1 3.62Å; F12-L16 HydrophobicContact CD1-CG 4.44Å; F12-L16 HydrophobicContact CE1-CD1 3.35Å; F12-L16 HydrophobicContact CE1-CG 4.22Å; F12-L16 HydrophobicContact CG-CD1 4.47Å; F12-L16 HydrophobicContact CZ-CD1 3.99Å; F12-L16 HydrophobicContact CZ-CG 4.47Å; F12-L16 WeakPolarHBondContact O-CB 3.49Å; F12-L16 WeakPolarHBondContact O-CG 3.19Å; F12-L16 PolarHBondContact O-N 2.85Å |
| 13 | V | 97.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 96.2 Ų | 96.2 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 111 | L9 L10 V11 L16 L17 | L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.08Å; L10-V13 PolarHBondContact O-N 3.08Å; V11-V13 PolarHBondContact O-N 3.43Å; V13-L16 PolarHBondContact O-N 2.75Å; V13-L17 VanDerWaalsContact O-CB 3.23Å; V13-L17 WeakPolarHBondContact O-CB 3Å; V13-L17 PolarHBondContact O-N 2.67Å |
| 14 | A | 96.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 91.2 Ų | 91.2 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L10 V11 L17 I18 | L10-A14 VanDerWaalsContact O-CB 3.23Å; L10-A14 WeakPolarHBondContact O-CB 3.1Å; L10-A14 PolarHBondContact O-N 3.09Å; V11-A14 PolarHBondContact O-N 2.95Å; A14-L17 PolarHBondContact O-N 3.43Å; A14-I18 WeakPolarHBondContact O-CB 3Å; A14-I18 WeakPolarHBondContact O-CD1 3.14Å; A14-I18 WeakPolarHBondContact O-CG1 3.42Å; A14-I18 PolarHBondContact O-N 3.43Å |
| 15 | T | 96.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 90.9 Ų | 90.9 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176.1 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | V11 F12 L17 I18 V19 | V11-T15 WeakPolarHBondContact O-CB 3.15Å; V11-T15 PolarHBondContact O-N 3.25Å; V11-T15 PolarHBondContact O-OG1 2.87Å; F12-T15 PolarHBondContact O-N 3.26Å; T15-L17 VanDerWaalsContact C-N 3.29Å; T15-L17 PolarHBondContact O-N 3.39Å; T15-I18 PolarHBondContact O-N 3.45Å; T15-V19 HydrophobicContact CG2-CG2 4.43Å; T15-V19 VanDerWaalsContact O-CG2 3.31Å; T15-V19 WeakPolarHBondContact O-CG2 3.26Å; T15-V19 PolarHBondContact O-N 2.76Å |
| 16 | L | 96.9 | Very high | 94 | Very high | 95 Ų | 95 | 88.4 Ų | 88.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 174.8 | -82.1 | 169.4 | 0 | 0 | 0 | 111.7 | F12 V13 V19 L20 | F12-L16 HydrophobicContact CD1-CD1 3.62Å; F12-L16 HydrophobicContact CD1-CG 4.44Å; F12-L16 HydrophobicContact CE1-CD1 3.35Å; F12-L16 HydrophobicContact CE1-CG 4.22Å; F12-L16 HydrophobicContact CG-CD1 4.47Å; F12-L16 HydrophobicContact CZ-CD1 3.99Å; F12-L16 HydrophobicContact CZ-CG 4.47Å; F12-L16 WeakPolarHBondContact O-CB 3.49Å; F12-L16 WeakPolarHBondContact O-CG 3.19Å; F12-L16 PolarHBondContact O-N 2.85Å; V13-L16 PolarHBondContact O-N 2.75Å; L16-V19 PolarHBondContact O-N 3.23Å; L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 PolarHBondContact O-N 2.69Å |
| 17 | L | 96.5 | Very high | 93.8 | Very high | 95 Ų | 95 | 94.3 Ų | 94.3 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 179.2 | -167.1 | 137.9 | 0 | 0 | 0 | 110.7 | V13 A14 T15 L20 L21 | V13-L17 VanDerWaalsContact O-CB 3.23Å; V13-L17 WeakPolarHBondContact O-CB 3Å; V13-L17 PolarHBondContact O-N 2.67Å; A14-L17 PolarHBondContact O-N 3.43Å; T15-L17 VanDerWaalsContact C-N 3.29Å; T15-L17 PolarHBondContact O-N 3.39Å; L17-L20 PolarHBondContact O-N 2.73Å; L17-L21 HydrophobicContact CD2-CD1 3.19Å; L17-L21 HydrophobicContact CG-CD1 3.74Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 WeakPolarHBondContact O-CD1 3.32Å; L17-L21 PolarHBondContact O-N 3.02Å |
| 18 | I | 95.9 | Very high | 93.5 | Very high | 95 Ų | 95 | 96.3 Ų | 96.3 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 174.3 | -68.8 | 161.7 | 0 | 0 | 0 | 111 | A14 T15 L20 L21 L22 | A14-I18 WeakPolarHBondContact O-CB 3Å; A14-I18 WeakPolarHBondContact O-CD1 3.14Å; A14-I18 WeakPolarHBondContact O-CG1 3.42Å; A14-I18 PolarHBondContact O-N 3.43Å; T15-I18 PolarHBondContact O-N 3.45Å; I18-L20 VanDerWaalsContact C-N 3.33Å; I18-L20 PolarHBondContact O-N 3.01Å; I18-L21 CarbonylContact O-C 3.58Å; I18-L21 PolarHBondContact O-N 2.74Å; I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 HydrophobicContact CG2-CG 4.27Å; I18-L22 WeakPolarHBondContact O-CB 3.36Å; I18-L22 VanDerWaalsContact O-CG 3.3Å; I18-L22 WeakPolarHBondContact O-CG 3.37Å; I18-L22 PolarHBondContact O-N 3.23Å |
| 19 | V | 95.6 | Very high | 93.2 | Very high | 89 Ų | 89 | 98 Ų | 98 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 177.9 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | T15 L16 L22 M23 | T15-V19 HydrophobicContact CG2-CG2 4.43Å; T15-V19 VanDerWaalsContact O-CG2 3.31Å; T15-V19 WeakPolarHBondContact O-CG2 3.26Å; T15-V19 PolarHBondContact O-N 2.76Å; L16-V19 PolarHBondContact O-N 3.23Å; V19-L22 PolarHBondContact O-N 2.77Å; V19-M23 VanDerWaalsContact O-CB 3.32Å; V19-M23 WeakPolarHBondContact O-CB 3.39Å; V19-M23 PolarHBondContact O-N 2.84Å |
| 20 | L | 95.9 | Very high | 92.7 | Very high | 110 Ų | 110 | 97.1 Ų | 97.1 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -47.1 | 175.9 | -175.8 | 66.4 | 0 | 0 | 0 | 110.8 | L16 L17 I18 L22 M23 V24 | L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 PolarHBondContact O-N 2.69Å; L17-L20 PolarHBondContact O-N 2.73Å; I18-L20 VanDerWaalsContact C-N 3.33Å; I18-L20 PolarHBondContact O-N 3.01Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L22 PolarHBondContact O-N 2.77Å; L20-M23 PolarHBondContact O-N 3.34Å; L20-V24 HydrophobicContact CD1-CG2 4.48Å; L20-V24 WeakPolarHBondContact O-CB 3.48Å; L20-V24 WeakPolarHBondContact O-CG2 3.43Å; L20-V24 PolarHBondContact O-N 3.48Å |
| 21 | L | 94.3 | Very high | 92.1 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 174.7 | -94.5 | 114.9 | 0 | 0 | 0 | 112 | L17 I18 C25 | L17-L21 HydrophobicContact CD2-CD1 3.19Å; L17-L21 HydrophobicContact CG-CD1 3.74Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 WeakPolarHBondContact O-CD1 3.32Å; L17-L21 PolarHBondContact O-N 3.02Å; I18-L21 CarbonylContact O-C 3.58Å; I18-L21 PolarHBondContact O-N 2.74Å; L21-C25 WeakPolarHBondContact O-CA 2.97Å; L21-C25 WeakPolarHBondContact O-CB 3.43Å; L21-C25 PolarHBondContact O-N 3.46Å; L21-C25 PolarHBondContact O-SG 2.76Å |
| 22 | L | 92 | Very high | 91.4 | Very high | 119 Ų | 119 | 100.5 Ų | 100.5 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.2 | -34.4 | 177.1 | -73.7 | 178.8 | 0 | 0 | 0 | 111.9 | I18 V19 L20 G26 | I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 HydrophobicContact CG2-CG 4.27Å; I18-L22 WeakPolarHBondContact O-CB 3.36Å; I18-L22 VanDerWaalsContact O-CG 3.3Å; I18-L22 WeakPolarHBondContact O-CG 3.37Å; I18-L22 PolarHBondContact O-N 3.23Å; V19-L22 PolarHBondContact O-N 2.77Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L22 PolarHBondContact O-N 2.77Å; L22-G26 WeakPolarHBondContact O-CA 3.16Å; L22-G26 PolarHBondContact O-N 2.77Å |
| 23 | M | 93.9 | Very high | 90.6 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 51% | 0.507 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -45.8 | 176.3 | -170.6 | -96.9 | 127.3 | 0 | 0 | 110.9 | V19 L20 W27 | V19-M23 VanDerWaalsContact O-CB 3.32Å; V19-M23 WeakPolarHBondContact O-CB 3.39Å; V19-M23 PolarHBondContact O-N 2.84Å; L20-M23 PolarHBondContact O-N 3.34Å; M23-W27 HydrophobicContact CE-CB 4.37Å; M23-W27 HydrophobicContact CE-CD2 4.33Å; M23-W27 HydrophobicContact CE-CE3 3.5Å; M23-W27 HydrophobicContact CE-CZ3 4.16Å; M23-W27 WeakPolarHBondContact O-CB 3.07Å; M23-W27 PolarHBondContact O-N 2.78Å; M23-W27 VanDerWaalsContact O-N 3.08Å |
| 24 | V | 89.6 | Confident | 89.4 | Confident | 57 Ų | 57 | 100.7 Ų | 100.7 | 35% | 0.345 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -58.1 | 172.7 | 174 | 0 | 0 | 0 | 0 | 109.4 | L20 G26 W27 Y28 | L20-V24 HydrophobicContact CD1-CG2 4.48Å; L20-V24 WeakPolarHBondContact O-CB 3.48Å; L20-V24 WeakPolarHBondContact O-CG2 3.43Å; L20-V24 PolarHBondContact O-N 3.48Å; V24-G26 VanDerWaalsContact C-N 3.32Å; V24-G26 PolarHBondContact O-N 3.37Å; V24-W27 CarbonylContact O-C 3.59Å; V24-W27 WeakPolarHBondContact O-CB 3.45Å; V24-W27 PolarHBondContact O-N 3.28Å; V24-W27 VanDerWaalsContact O-N 3.08Å; V24-Y28 HydrophobicContact CB-CD2 4.33Å; V24-Y28 HydrophobicContact CB-CE2 4.48Å; V24-Y28 HydrophobicContact CG1-CD2 3.39Å; V24-Y28 HydrophobicContact CG1-CE2 3.4Å; V24-Y28 HydrophobicContact CG1-CG 4.37Å; V24-Y28 WeakPolarHBondContact O-CB 2.93Å; V24-Y28 WeakPolarHBondContact O-CD2 3.38Å; V24-Y28 PolarHBondContact O-N 2.86Å |
| 25 | C | 87.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 103.7 Ų | 103.7 | 46% | 0.459 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.4 | -42.7 | 177.7 | -76.9 | 0 | 0 | 0 | 0 | 112.3 | L21 W27 Y28 F29 | L21-C25 WeakPolarHBondContact O-CA 2.97Å; L21-C25 WeakPolarHBondContact O-CB 3.43Å; L21-C25 PolarHBondContact O-N 3.46Å; L21-C25 PolarHBondContact O-SG 2.76Å; C25-W27 VanDerWaalsContact C-N 3.34Å; C25-W27 PolarHBondContact O-N 2.67Å; C25-Y28 PolarHBondContact O-N 3.28Å; C25-F29 WeakPolarHBondContact O-CA 3.39Å; C25-F29 WeakPolarHBondContact O-CB 3.21Å; C25-F29 PolarHBondContact O-N 3.27Å |
| 26 | G | 87 | Confident | 87 | Confident | 43 Ų | 43 | 102.4 Ų | 102.4 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L22 V24 V30 | L22-G26 WeakPolarHBondContact O-CA 3.16Å; L22-G26 PolarHBondContact O-N 2.77Å; V24-G26 VanDerWaalsContact C-N 3.32Å; V24-G26 PolarHBondContact O-N 3.37Å; G26-V30 PolarHBondContact O-N 3.3Å |
| 27 | W | 87 | Confident | 85.6 | Confident | 164 Ų | 164 | 104.1 Ų | 104.1 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -51.9 | 174.5 | -175.4 | -61.9 | 0 | 0 | 0 | 112 | M23 V24 C25 F29 V30 W31 | M23-W27 HydrophobicContact CE-CB 4.37Å; M23-W27 HydrophobicContact CE-CD2 4.33Å; M23-W27 HydrophobicContact CE-CE3 3.5Å; M23-W27 HydrophobicContact CE-CZ3 4.16Å; M23-W27 WeakPolarHBondContact O-CB 3.07Å; M23-W27 PolarHBondContact O-N 2.78Å; M23-W27 VanDerWaalsContact O-N 3.08Å; V24-W27 CarbonylContact O-C 3.59Å; V24-W27 WeakPolarHBondContact O-CB 3.45Å; V24-W27 PolarHBondContact O-N 3.28Å; V24-W27 VanDerWaalsContact O-N 3.08Å; C25-W27 VanDerWaalsContact C-N 3.34Å; C25-W27 PolarHBondContact O-N 2.67Å; W27-F29 VanDerWaalsContact C-N 3.29Å; W27-F29 PolarHBondContact O-N 2.91Å; W27-V30 PolarHBondContact O-N 3.44Å; W27-W31 WeakPolarHBondContact O-CB 3.25Å; W27-W31 PolarHBondContact O-N 2.88Å |
| 28 | Y | 87.4 | Confident | 84.2 | Confident | 149 Ų | 149 | 106.1 Ų | 106.1 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -32.7 | -179.3 | -82.9 | -99.4 | 0 | 0 | 0 | 111.1 | V24 C25 W31 H32 | V24-Y28 HydrophobicContact CB-CD2 4.33Å; V24-Y28 HydrophobicContact CB-CE2 4.48Å; V24-Y28 HydrophobicContact CG1-CD2 3.39Å; V24-Y28 HydrophobicContact CG1-CE2 3.4Å; V24-Y28 HydrophobicContact CG1-CG 4.37Å; V24-Y28 WeakPolarHBondContact O-CB 2.93Å; V24-Y28 WeakPolarHBondContact O-CD2 3.38Å; V24-Y28 PolarHBondContact O-N 2.86Å; C25-Y28 PolarHBondContact O-N 3.28Å; Y28-W31 CarbonylContact O-C 3.58Å; Y28-W31 PolarHBondContact O-N 3.38Å; Y28-H32 WeakPolarHBondContact O-CA 3.05Å; Y28-H32 WeakPolarHBondContact O-CB 3.43Å; Y28-H32 PolarHBondContact O-N 2.84Å |
| 29 | F | 85.4 | Confident | 83 | Confident | 135 Ų | 135 | 107.4 Ų | 107.4 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.8 | -38.4 | 179.3 | -161 | -106.5 | 0 | 0 | 0 | 110.9 | C25 W27 L33 | C25-F29 WeakPolarHBondContact O-CA 3.39Å; C25-F29 WeakPolarHBondContact O-CB 3.21Å; C25-F29 PolarHBondContact O-N 3.27Å; W27-F29 VanDerWaalsContact C-N 3.29Å; W27-F29 PolarHBondContact O-N 2.91Å; F29-L33 HydrophobicContact CD1-CD1 3.3Å; F29-L33 HydrophobicContact CD1-CG 3.87Å; F29-L33 HydrophobicContact CE1-CD1 3.24Å; F29-L33 HydrophobicContact CE1-CD2 4.28Å; F29-L33 HydrophobicContact CE1-CG 3.81Å; F29-L33 HydrophobicContact CG-CD1 4.2Å; F29-L33 HydrophobicContact CG-CG 4.34Å; F29-L33 HydrophobicContact CZ-CD1 4.09Å; F29-L33 HydrophobicContact CZ-CD2 4.35Å; F29-L33 HydrophobicContact CZ-CG 4.21Å; F29-L33 WeakPolarHBondContact O-CA 2.98Å; F29-L33 WeakPolarHBondContact O-CB 3.46Å; F29-L33 WeakPolarHBondContact O-CG 3.06Å; F29-L33 PolarHBondContact O-N 3.41Å |
| 30 | V | 84.6 | Confident | 81.4 | Confident | 97 Ų | 97 | 109.8 Ų | 109.8 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61 | -48.5 | 168.4 | 148.7 | 0 | 0 | 0 | 0 | 110.7 | G26 W27 H32 F34 | G26-V30 PolarHBondContact O-N 3.3Å; W27-V30 PolarHBondContact O-N 3.44Å; V30-H32 VanDerWaalsContact C-N 3.35Å; V30-H32 PolarHBondContact O-N 3.46Å; V30-F34 WeakPolarHBondContact O-CB 3.21Å; V30-F34 PolarHBondContact O-N 3.33Å |
| 31 | W | 82.6 | Confident | 80.1 | Confident | 164 Ų | 164 | 109 Ų | 109 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62 | -42 | 179.6 | -173 | -77 | 0 | 0 | 0 | 112.2 | W27 Y28 L35 | W27-W31 WeakPolarHBondContact O-CB 3.25Å; W27-W31 PolarHBondContact O-N 2.88Å; Y28-W31 CarbonylContact O-C 3.58Å; Y28-W31 PolarHBondContact O-N 3.38Å; W31-L35 VanDerWaalsContact CD1-CD1 3.46Å; W31-L35 PolarHBondContact O-N 2.8Å |
| 32 | H | 81.5 | Confident | 78.9 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -82.3 | -34.2 | -175.3 | -161.2 | -61.3 | 0 | 0 | 0 | 111.8 | Y28 V30 F34 S36 | Y28-H32 WeakPolarHBondContact O-CA 3.05Å; Y28-H32 WeakPolarHBondContact O-CB 3.43Å; Y28-H32 PolarHBondContact O-N 2.84Å; V30-H32 VanDerWaalsContact C-N 3.35Å; V30-H32 PolarHBondContact O-N 3.46Å; H32-F34 VanDerWaalsContact C-N 3.32Å; H32-S36 PolarHBondContact CE1-OG 3.42Å; H32-S36 VanDerWaalsContact CE1-OG 3.23Å; H32-S36 PolarHBondContact ND1-OG 3.46Å; H32-S36 WeakPolarHBondContact O-CA 3.2Å; H32-S36 WeakPolarHBondContact O-CB 3.31Å; H32-S36 PolarHBondContact O-N 2.9Å; H32-S36 PolarHBondContact O-OG 2.89Å |
| 33 | L | 79.1 | Confident | 77.8 | Confident | 72 Ų | 72 | 113.3 Ų | 113.3 | 38% | 0.377 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 168.4 | -80.9 | 171.8 | 0 | 0 | 0 | 110.7 | F29 K37 | F29-L33 HydrophobicContact CD1-CD1 3.3Å; F29-L33 HydrophobicContact CD1-CG 3.87Å; F29-L33 HydrophobicContact CE1-CD1 3.24Å; F29-L33 HydrophobicContact CE1-CD2 4.28Å; F29-L33 HydrophobicContact CE1-CG 3.81Å; F29-L33 HydrophobicContact CG-CD1 4.2Å; F29-L33 HydrophobicContact CG-CG 4.34Å; F29-L33 HydrophobicContact CZ-CD1 4.09Å; F29-L33 HydrophobicContact CZ-CD2 4.35Å; F29-L33 HydrophobicContact CZ-CG 4.21Å; F29-L33 WeakPolarHBondContact O-CA 2.98Å; F29-L33 WeakPolarHBondContact O-CB 3.46Å; F29-L33 WeakPolarHBondContact O-CG 3.06Å; F29-L33 PolarHBondContact O-N 3.41Å; L33-K37 WeakPolarHBondContact O-CA 3.35Å; L33-K37 WeakPolarHBondContact O-CB 3.3Å; L33-K37 VanDerWaalsContact O-CG 3.29Å; L33-K37 WeakPolarHBondContact O-CG 3.4Å; L33-K37 PolarHBondContact O-N 3.43Å |
| 34 | F | 72 | Confident | 76.5 | Confident | 139 Ų | 139 | 113.3 Ų | 113.3 | 61% | 0.61 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.9 | -50.5 | 175.2 | -111.3 | -94.6 | 0 | 0 | 0 | 111.5 | V30 H32 F38 | V30-F34 WeakPolarHBondContact O-CB 3.21Å; V30-F34 PolarHBondContact O-N 3.33Å; H32-F34 VanDerWaalsContact C-N 3.32Å; F34-F38 HydrophobicContact CD1-CD2 4.17Å; F34-F38 HydrophobicContact CD1-CE2 4.1Å; F34-F38 HydrophobicContact CE1-CE2 4.03Å; F34-F38 WeakPolarHBondContact O-CB 3.36Å; F34-F38 WeakPolarHBondContact O-CD2 3.42Å; F34-F38 PolarHBondContact O-N 3.5Å |
| 35 | L | 71.4 | Confident | 75.2 | Confident | 105 Ų | 105 | 115.3 Ų | 115.3 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 177.5 | -78.6 | 166.2 | 0 | 0 | 0 | 112.3 | W31 K39 | W31-L35 VanDerWaalsContact CD1-CD1 3.46Å; W31-L35 PolarHBondContact O-N 2.8Å; L35-K39 WeakPolarHBondContact O-CA 3.4Å; L35-K39 WeakPolarHBondContact O-CB 3.03Å; L35-K39 PolarHBondContact O-N 2.87Å |
| 36 | S | 70.4 | Confident | 73.8 | Confident | 46 Ų | 46 | 113.9 Ų | 113.9 | 32% | 0.322 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.7 | -38.3 | 178.8 | -66.8 | 0 | 0 | 0 | 0 | 112 | H32 F40 | H32-S36 PolarHBondContact CE1-OG 3.42Å; H32-S36 VanDerWaalsContact CE1-OG 3.23Å; H32-S36 PolarHBondContact ND1-OG 3.46Å; H32-S36 WeakPolarHBondContact O-CA 3.2Å; H32-S36 WeakPolarHBondContact O-CB 3.31Å; H32-S36 PolarHBondContact O-N 2.9Å; H32-S36 PolarHBondContact O-OG 2.89Å; S36-F40 WeakPolarHBondContact O-CA 3.47Å; S36-F40 WeakPolarHBondContact O-CB 3.37Å; S36-F40 PolarHBondContact O-N 2.88Å |
| 37 | K | 68 | Low | 72.3 | Confident | 130 Ų | 130 | 117.1 Ų | 117.1 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.5 | -38.1 | 175.1 | -76.6 | -74.8 | 173.8 | 72.3 | 0 | 111.9 | L33 L41 | L33-K37 WeakPolarHBondContact O-CA 3.35Å; L33-K37 WeakPolarHBondContact O-CB 3.3Å; L33-K37 VanDerWaalsContact O-CG 3.29Å; L33-K37 WeakPolarHBondContact O-CG 3.4Å; L33-K37 PolarHBondContact O-N 3.43Å; K37-L41 WeakPolarHBondContact O-CB 3.4Å; K37-L41 WeakPolarHBondContact O-CD1 3.43Å; K37-L41 PolarHBondContact O-N 3.25Å |
| 38 | F | 67 | Low | 70.8 | Confident | 137 Ų | 137 | 113.8 Ų | 113.8 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76.4 | -31.8 | 174.2 | -89.3 | -87 | 0 | 0 | 0 | 113.6 | F34 R42 | F34-F38 HydrophobicContact CD1-CD2 4.17Å; F34-F38 HydrophobicContact CD1-CE2 4.1Å; F34-F38 HydrophobicContact CE1-CE2 4.03Å; F34-F38 WeakPolarHBondContact O-CB 3.36Å; F34-F38 WeakPolarHBondContact O-CD2 3.42Å; F34-F38 PolarHBondContact O-N 3.5Å; F38-R42 WeakPolarHBondContact O-CB 3.19Å; F38-R42 PolarHBondContact O-N 3.27Å |
| 39 | K | 69.8 | Low | 69.1 | Low | 122 Ų | 122 | 109 Ų | 109 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.6 | -43 | 174.2 | -163.5 | -177.6 | 90 | 65.1 | 0 | 110.3 | L35 R42 E43 | L35-K39 WeakPolarHBondContact O-CA 3.4Å; L35-K39 WeakPolarHBondContact O-CB 3.03Å; L35-K39 PolarHBondContact O-N 2.87Å; K39-R42 PolarHBondContact O-N 2.98Å; K39-E43 IonicContact NZ-OE1 2.77Å; K39-E43 IonicContact NZ-OE2 3.72Å; K39-E43 PolarHBondContact NZ-OE2 3.35Å; K39-E43 WeakPolarHBondContact O-CB 3.13Å; K39-E43 PolarHBondContact O-N 3.38Å |
| 40 | F | 62.4 | Low | 67.4 | Low | 139 Ų | 139 | 107.2 Ų | 107.2 | 61% | 0.61 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -74.1 | -32.7 | 176.3 | -149.9 | -86 | 0 | 0 | 0 | 112.2 | S36 L44 | S36-F40 WeakPolarHBondContact O-CA 3.47Å; S36-F40 WeakPolarHBondContact O-CB 3.37Å; S36-F40 PolarHBondContact O-N 2.88Å; F40-L44 WeakPolarHBondContact O-CA 3.27Å; F40-L44 WeakPolarHBondContact O-CB 3.29Å; F40-L44 PolarHBondContact O-N 2.91Å |
| 41 | L | 67.9 | Low | 65.8 | Low | 95 Ų | 95 | 110.9 Ų | 110.9 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.8 | -41.4 | 167.6 | -108.1 | 64.4 | 0 | 0 | 0 | 111.1 | K37 E43 L44 V45 | K37-L41 WeakPolarHBondContact O-CB 3.4Å; K37-L41 WeakPolarHBondContact O-CD1 3.43Å; K37-L41 PolarHBondContact O-N 3.25Å; L41-E43 VanDerWaalsContact C-N 3.32Å; L41-L44 PolarHBondContact O-N 3.43Å; L41-V45 WeakPolarHBondContact O-CA 3.23Å; L41-V45 WeakPolarHBondContact O-CB 3.33Å; L41-V45 WeakPolarHBondContact O-CG2 3.48Å; L41-V45 PolarHBondContact O-N 2.95Å |
| 42 | R | 70.9 | Confident | 64.1 | Low | 201 Ų | 201 | 110.8 Ų | 110.8 | 76% | 0.758 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72 | -28.8 | 178.8 | -177 | 148.9 | 58.5 | 170.8 | 0.2 | 112.7 | F38 K39 G46 | F38-R42 WeakPolarHBondContact O-CB 3.19Å; F38-R42 PolarHBondContact O-N 3.27Å; K39-R42 PolarHBondContact O-N 2.98Å; R42-G46 WeakPolarHBondContact O-CA 3.46Å; R42-G46 PolarHBondContact O-N 2.83Å |
| 43 | E | 68.3 | Low | 62.6 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 45% | 0.453 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77.7 | -39.5 | 173.9 | -159.4 | 159.2 | -160.2 | 0 | 0 | 109.7 | K39 L41 D47 | K39-E43 IonicContact NZ-OE1 2.77Å; K39-E43 IonicContact NZ-OE2 3.72Å; K39-E43 PolarHBondContact NZ-OE2 3.35Å; K39-E43 WeakPolarHBondContact O-CB 3.13Å; K39-E43 PolarHBondContact O-N 3.38Å; L41-E43 VanDerWaalsContact C-N 3.32Å; E43-D47 WeakPolarHBondContact O-CB 3.35Å; E43-D47 PolarHBondContact O-N 2.98Å |
| 44 | L | 65.6 | Low | 61 | Low | 103 Ų | 103 | 111.7 Ų | 111.7 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78 | -40.3 | 176.4 | -165.7 | 70.1 | 0 | 0 | 0 | 113.7 | F40 L41 T48 | F40-L44 WeakPolarHBondContact O-CA 3.27Å; F40-L44 WeakPolarHBondContact O-CB 3.29Å; F40-L44 PolarHBondContact O-N 2.91Å; L41-L44 PolarHBondContact O-N 3.43Å; L44-T48 VanDerWaalsContact O-CB 3.32Å; L44-T48 WeakPolarHBondContact O-CB 3.23Å; L44-T48 VanDerWaalsContact O-CG2 3.26Å; L44-T48 WeakPolarHBondContact O-CG2 3.25Å; L44-T48 PolarHBondContact O-N 3.47Å; L44-T48 VanDerWaalsContact O-N 3.09Å; L44-T48 PolarHBondContact O-OG1 3.33Å |
| 45 | V | 63.6 | Low | 59.5 | Low | 99 Ų | 99 | 113.5 Ų | 113.5 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.9 | -31.4 | 172 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L41 T48 G49 | L41-V45 WeakPolarHBondContact O-CA 3.23Å; L41-V45 WeakPolarHBondContact O-CB 3.33Å; L41-V45 WeakPolarHBondContact O-CG2 3.48Å; L41-V45 PolarHBondContact O-N 2.95Å; V45-T48 WeakPolarHBondContact CA-OG1 3.48Å; V45-T48 PolarHBondContact O-OG1 3.28Å; V45-G49 PolarHBondContact O-N 3.29Å |
| 46 | G | 57.5 | Low | 58 | Low | 38 Ų | 38 | 115.6 Ų | 115.6 | 39% | 0.392 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.2 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R42 S50 | R42-G46 WeakPolarHBondContact O-CA 3.46Å; R42-G46 PolarHBondContact O-N 2.83Å; G46-S50 PolarHBondContact O-N 3.44Å |
| 47 | D | 56.8 | Low | 57.1 | Low | 111 Ų | 111 | 117.9 Ų | 117.9 | 59% | 0.594 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -79.6 | -17.8 | 175.7 | -81.7 | -18.6 | 0 | 0 | 0 | 113.2 | E43 | E43-D47 WeakPolarHBondContact O-CB 3.35Å; E43-D47 PolarHBondContact O-N 2.98Å |
| 48 | T | 54.3 | Low | 56.1 | Low | 95 Ų | 95 | 118 Ų | 118 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.8 | -21.5 | 171.1 | 46.9 | 0 | 0 | 0 | 0 | 113.7 | L44 V45 | L44-T48 VanDerWaalsContact O-CB 3.32Å; L44-T48 WeakPolarHBondContact O-CB 3.23Å; L44-T48 VanDerWaalsContact O-CG2 3.26Å; L44-T48 WeakPolarHBondContact O-CG2 3.25Å; L44-T48 PolarHBondContact O-N 3.47Å; L44-T48 VanDerWaalsContact O-N 3.09Å; L44-T48 PolarHBondContact O-OG1 3.33Å; V45-T48 WeakPolarHBondContact CA-OG1 3.48Å; V45-T48 PolarHBondContact O-OG1 3.28Å |
| 49 | G | 51.6 | Low | 54.7 | Low | 48 Ų | 48 | 114.6 Ų | 114.6 | 50% | 0.495 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -86.6 | -6.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V45 | V45-G49 PolarHBondContact O-N 3.29Š|
| 50 | S | 49.8 | Very low | 53 | Low | 97 Ų | 97 | 114 Ų | 114 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -120.6 | 19.9 | 179.9 | -168.9 | 0 | 0 | 0 | 0 | 113.1 | G46 | G46-S50 PolarHBondContact O-N 3.44Š|
| 51 | Q | 50.8 | Low | 52 | Low | 174 Ų | 174 | 116.2 Ų | 116.2 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -112.3 | 17.4 | 168.4 | -147.4 | -176.8 | 112.8 | 0 | 0 | 112.4 | ||
| 52 | E | 48.3 | Very low | 50.6 | Low | 162 Ų | 162 | 117 Ų | 117 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | trans | -101.2 | 13.1 | 173.6 | 47.5 | 176.9 | 70.9 | 0 | 0 | 113.2 | ||||
| 53 | G | 49.8 | Very low | 49.3 | Very low | 62 Ų | 62 | 115.5 Ų | 115.5 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -107.2 | 72.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 54 | D | 45.2 | Very low | 48.5 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | trans | 62 | 104.7 | 149.4 | -50.2 | -38.4 | 0 | 0 | 0 | 117.8 | ||||
| 55 | H | 40.5 | Very low | 47 | Very low | 176 Ų | 176 | 122.1 Ų | 122.1 | 82% | 0.815 | 71% | 0.707 | S | S | * | * | 55.8 | 119.4 | 81.2 | -154.1 | -87.1 | 0 | 0 | 0 | 111.3 | |||||
| 56 | E | 40 | Very low | 46.1 | Very low | 150 Ų | 150 | 123.1 Ų | 123.1 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | cis | -165.4 | 172 | 10.3 | -117.3 | -99.7 | 112.5 | 0 | 0 | 105.7 | ||||
| 57 | P | 52.1 | Low | 45.8 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | trans | -84.6 | 172.3 | -176.9 | 35.5 | -26.7 | 0 | 0 | 0 | 112.7 | ||||
| 58 | S | 46.3 | Very low | 44.9 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | trans | 89.5 | 115.5 | 163 | -154 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 59 | G | 36.7 | Very low | 44.8 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | trans | 138.9 | 121.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 60 | S | 34.5 | Very low | 44.6 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 65.7 | 97.4 | 154.9 | 59 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 61 | E | 41.9 | Very low | 44.8 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | 20.6 | 121.1 | 110.6 | -48 | 176.5 | 134.6 | 0 | 0 | 115.6 | |||||
| 62 | T | 38.6 | Very low | 44.8 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | 152.2 | 114.6 | 128 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 63 | E | 42.6 | Very low | 45.1 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 66.1 | 124.9 | 147.4 | -65.2 | 171.2 | 88.6 | 0 | 0 | 121.7 | ||||
| 64 | E | 52.2 | Low | 45.2 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -2.4 | 117.6 | 145.1 | -65.1 | 177.1 | 88.4 | 0 | 0 | 116.6 | ||||
| 65 | D | 35.1 | Very low | 45.4 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | -152.3 | 145.7 | 120 | -141.6 | -20.7 | 0 | 0 | 0 | 112.3 | |||||
| 66 | T | 44.2 | Very low | 45.8 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -45.4 | 143.5 | -177.1 | 42.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 67 | S | 50.5 | Low | 46.5 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 65.1 | 94.1 | 149 | -177.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 68 | S | 38.8 | Very low | 46.7 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -150.6 | 93.8 | 146 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | P70 | S68-P70 WeakPolarHBondContact O-CD 3.41Š| ||
| 69 | S | 51.1 | Low | 46.8 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -86.3 | 122.3 | 149.2 | 172.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 70 | P | 48.3 | Very low | 47.3 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -118.4 | 64.8 | 159.3 | 22.8 | -2.8 | 0 | 0 | 0 | 109.8 | S68 R72 | S68-P70 WeakPolarHBondContact O-CD 3.41Å; P70-R72 PolarHBondContact O-N 2.95Å | ||
| 71 | H | 52.8 | Low | 47.7 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 76.2 | 150.6 | -155.5 | 66 | 0 | 0 | 0 | 108.3 | ||||
| 72 | R | 51 | Low | 47.9 | Very low | 196 Ų | 196 | 146.4 Ų | 146.4 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -139 | 74.4 | 173.7 | -136.3 | -174.4 | -167.1 | -130.5 | 9.8 | 112.1 | P70 R74 | P70-R72 PolarHBondContact O-N 2.95Å; R72-R74 PolarHBondContact O-N 3.37Å | ||
| 73 | I | 54.9 | Low | 48.4 | Very low | 159 Ų | 159 | 146 Ų | 146 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -49.8 | 88.6 | 148.9 | -57.5 | 173.5 | 0 | 0 | 0 | 108.3 | ||||
| 74 | R | 52.7 | Low | 49.1 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | -171.8 | 97.4 | 162.2 | -152.7 | 172.4 | -161.8 | 165.3 | 5.8 | 114 | R72 | R72-R74 PolarHBondContact O-N 3.37Š| ||
| 75 | S | 49.2 | Very low | 49.2 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -154.7 | 25.6 | 161.7 | 42 | 0 | 0 | 0 | 0 | 115.7 | R77 | S75-R77 PolarHBondContact O-N 2.93Š| ||
| 76 | A | 47.6 | Very low | 50.2 | Low | 116 Ų | 116 | 141.4 Ų | 141.4 | 96% | 0.959 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -84.5 | 30.8 | 162 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 77 | R | 55.1 | Low | 50.7 | Low | 207 Ų | 207 | 143.8 Ų | 143.8 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -127 | 41.4 | 173.2 | -156.3 | -172.1 | -164.3 | -157.3 | 5.9 | 110.9 | S75 R79 | S75-R77 PolarHBondContact O-N 2.93Å; R77-R79 VanDerWaalsContact C-N 3.27Å; R77-R79 PolarHBondContact O-N 3.5Å | ||
| 78 | Q | 55.7 | Low | 50.8 | Low | 191 Ų | 191 | 148.9 Ų | 148.9 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -79.7 | 84 | 169.2 | -166.1 | 167.4 | -56.3 | 0 | 0 | 108.8 | ||||
| 79 | R | 49.4 | Very low | 51.8 | Low | 176 Ų | 176 | 148.4 Ų | 148.4 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -87.1 | 132.4 | 173.2 | -179.6 | -173.9 | -178.6 | -145.9 | 3.8 | 108.9 | R77 | R77-R79 VanDerWaalsContact C-N 3.27Å; R77-R79 PolarHBondContact O-N 3.5Å | ||
| 80 | R | 46.7 | Very low | 52.1 | Low | 186 Ų | 186 | 151.5 Ų | 151.5 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | 85.4 | 143.4 | 168.3 | -77.1 | 179.7 | -176.7 | 105 | -4.3 | 117.2 | ||||
| 81 | A | 43.9 | Very low | 52.5 | Low | 84 Ų | 84 | 157 Ų | 157 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | cis | -170.1 | 169.2 | -12.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 82 | P | 46.5 | Very low | 52.5 | Low | 131 Ų | 131 | 156.6 Ų | 156.6 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | -139.9 | 162.1 | 110.9 | 29.4 | -11.3 | 0 | 0 | 0 | 113.6 | |||||
| 83 | A | 48 | Very low | 52.6 | Low | 102 Ų | 102 | 154.5 Ų | 154.5 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -57.5 | 146.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 84 | D | 57.3 | Low | 52.4 | Low | 154 Ų | 154 | 154.2 Ų | 154.2 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -136.3 | 136 | 154.4 | -165.5 | 20 | 0 | 0 | 0 | 109.9 | ||||
| 85 | E | 55 | Low | 52.4 | Low | 183 Ų | 183 | 152.8 Ų | 152.8 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -77.5 | 147 | -170.1 | -76.1 | 158.6 | 105.3 | 0 | 0 | 111.7 | ||||
| 86 | G | 55.8 | Low | 52.6 | Low | 76 Ų | 76 | 155.8 Ų | 155.8 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | 147.4 | 100.8 | 162 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 87 | H | 53.5 | Low | 53 | Low | 171 Ų | 171 | 158.4 Ų | 158.4 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | 160.8 | 90.1 | 121 | -158.1 | 69.3 | 0 | 0 | 0 | 110.6 | |||||
| 88 | R | 53.8 | Low | 52.8 | Low | 229 Ų | 229 | 154.9 Ų | 154.9 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -106.6 | 115.7 | 151.8 | -87.6 | -163.4 | 155.3 | -146.2 | -6.7 | 107.7 | ||||
| 89 | P | 58.9 | Low | 52.6 | Low | 96 Ų | 96 | 152.2 Ų | 152.2 | 62% | 0.623 | 82% | 0.818 | S | S | * | * | trans | -93.1 | 119.2 | 151.5 | 30.6 | -20.9 | 0 | 0 | 0 | 108.1 | ||||
| 90 | Q | 57.4 | Low | 52.9 | Low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -77.4 | 129.1 | 157.1 | -61.4 | -148 | 70.2 | 0 | 0 | 107.8 | ||||
| 91 | T | 57.8 | Low | 53.4 | Low | 220 Ų | 220 | 146.9 Ų | 146.9 | 100% | 1.35 | 84% | 0.843 | S | S | * | * | trans | -179 | 0 | 134.3 | 44.2 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 91 of 91 residues in 95.8 ms
(Link to these results)