| 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 | 57.8 | Low | 68.7 | Low | 170 Ų | 170 | 89.3 Ų | 89.3 | 84% | 0.837 | 48% | 0.484 | S | S | * | . | 0 | -64.3 | 0 | -59.3 | -155 | 138.8 | 0 | 0 | 112.5 | G3 D4 L5 | M1-G3 PolarHBondContact O-N 2.8Å; M1-D4 WeakPolarHBondContact CA-OD2 3.19Å; M1-D4 PolarHBondContact N-OD2 3.16Å; M1-D4 PolarHBondContact O-N 3.26Å; M1-L5 PolarHBondContact O-N 2.88Å | |||
| 2 | I | 59.2 | Low | 69.1 | Low | 97 Ų | 97 | 86.1 Ų | 86.1 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -31.9 | 173.2 | -141.6 | 91.6 | 0 | 0 | 0 | 112 | L5 L6 | I2-L5 PolarHBondContact O-N 3.27Å; I2-L6 WeakPolarHBondContact O-CB 3.47Å; I2-L6 PolarHBondContact O-N 2.89Å |
| 3 | G | 63.6 | Low | 69.1 | Low | 34 Ų | 34 | 89.1 Ų | 89.1 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 L5 L6 I7 | M1-G3 PolarHBondContact O-N 2.8Å; G3-L5 PolarHBondContact O-N 3.49Å; G3-L6 WeakPolarHBondContact O-CB 3.49Å; G3-L6 PolarHBondContact O-N 3.45Å; G3-I7 WeakPolarHBondContact O-CB 3.49Å; G3-I7 VanDerWaalsContact O-CG1 3.29Å; G3-I7 WeakPolarHBondContact O-CG1 3.37Å; G3-I7 PolarHBondContact O-N 3.26Å |
| 4 | D | 67.2 | Low | 69.7 | Low | 108 Ų | 108 | 90 Ų | 90 | 58% | 0.578 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.4 | -37.3 | 174.2 | -55.2 | -89.3 | 0 | 0 | 0 | 111.3 | M1 I7 F8 | M1-D4 WeakPolarHBondContact CA-OD2 3.19Å; M1-D4 PolarHBondContact N-OD2 3.16Å; M1-D4 PolarHBondContact O-N 3.26Å; D4-I7 PolarHBondContact O-N 2.93Å; D4-F8 WeakPolarHBondContact O-CB 3.46Å; D4-F8 PolarHBondContact O-N 3.49Å |
| 5 | L | 64.7 | Low | 69.8 | Low | 22 Ų | 22 | 87.2 Ų | 87.2 | 12% | 0.115 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -69.2 | -45.3 | 176.5 | -162.3 | 58.7 | 0 | 0 | 0 | 111.2 | M1 I2 G3 I7 F8 G9 W62 F65 M66 C69 | M1-L5 PolarHBondContact O-N 2.88Å; I2-L5 PolarHBondContact O-N 3.27Å; G3-L5 PolarHBondContact O-N 3.49Å; L5-I7 VanDerWaalsContact C-N 3.32Å; L5-I7 PolarHBondContact O-N 3.38Å; L5-F8 PolarHBondContact O-N 2.94Å; L5-F8 VanDerWaalsContact O-N 3.16Å; L5-G9 PolarHBondContact O-N 2.92Å; L5-W62 HydrophobicContact CD1-CH2 3.27Å; L5-W62 HydrophobicContact CD1-CZ2 3.77Å; L5-W62 HydrophobicContact CD1-CZ3 3.97Å; L5-W62 HydrophobicContact CG-CH2 3.84Å; L5-W62 HydrophobicContact CG-CZ2 3.78Å; L5-W62 WeakPolarHBondContact O-CH2 3.29Å; L5-W62 WeakPolarHBondContact O-CZ2 3.45Å; L5-F65 HydrophobicContact CD1-CD1 3.81Å; L5-F65 HydrophobicContact CD1-CE1 3.46Å; L5-F65 VanDerWaalsContact CD1-CE1 3.46Å; L5-M66 HydrophobicContact CB-SD 4.47Å; L5-M66 HydrophobicContact CD2-CE 4.4Å; L5-M66 HydrophobicContact CD2-CG 4.32Å; L5-M66 HydrophobicContact CD2-SD 3.09Å; L5-M66 WeakPolarHBondContact CD2-SD 3.27Å; L5-M66 HydrophobicContact CG-SD 3.51Å; L5-M66 VanDerWaalsContact CG-SD 3.51Å; L5-C69 HydrophobicContact CD2-CB 4.38Å |
| 6 | L | 69.3 | Low | 70 | Confident | 110 Ų | 110 | 82.8 Ų | 82.8 | 58% | 0.576 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.8 | -42 | 172.2 | -110.6 | 154.8 | 0 | 0 | 0 | 112.7 | I2 G3 G9 T10 | I2-L6 WeakPolarHBondContact O-CB 3.47Å; I2-L6 PolarHBondContact O-N 2.89Å; G3-L6 WeakPolarHBondContact O-CB 3.49Å; G3-L6 PolarHBondContact O-N 3.45Å; L6-G9 PolarHBondContact O-N 2.85Å; L6-T10 WeakPolarHBondContact O-CB 3.44Å; L6-T10 PolarHBondContact O-N 3.4Å; L6-T10 PolarHBondContact O-OG1 2.75Å |
| 7 | I | 76.9 | Confident | 70 | Confident | 107 Ų | 107 | 81.2 Ų | 81.2 | 55% | 0.549 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.1 | -71.7 | 173.6 | 0 | 0 | 0 | 110.3 | G3 D4 L5 G9 T10 L11 | G3-I7 WeakPolarHBondContact O-CB 3.49Å; G3-I7 VanDerWaalsContact O-CG1 3.29Å; G3-I7 WeakPolarHBondContact O-CG1 3.37Å; G3-I7 PolarHBondContact O-N 3.26Å; D4-I7 PolarHBondContact O-N 2.93Å; L5-I7 VanDerWaalsContact C-N 3.32Å; L5-I7 PolarHBondContact O-N 3.38Å; I7-G9 PolarHBondContact O-N 3.42Å; I7-T10 PolarHBondContact O-N 3.21Å; I7-L11 HydrophobicContact CG2-CD1 3.94Å; I7-L11 HydrophobicContact CG2-CG 4.49Å; I7-L11 WeakPolarHBondContact O-CB 3.22Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 3.29Å |
| 8 | F | 71 | Confident | 69.8 | Low | 118 Ų | 118 | 81.3 Ų | 81.3 | 52% | 0.518 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.1 | -171.7 | -81.5 | 0 | 0 | 0 | 112.2 | D4 L5 T10 L11 L12 W62 | D4-F8 WeakPolarHBondContact O-CB 3.46Å; D4-F8 PolarHBondContact O-N 3.49Å; L5-F8 PolarHBondContact O-N 2.94Å; L5-F8 VanDerWaalsContact O-N 3.16Å; F8-T10 VanDerWaalsContact C-N 3.34Å; F8-T10 PolarHBondContact O-N 2.82Å; F8-L11 PolarHBondContact O-N 2.98Å; F8-L12 HydrophobicContact CD1-CD1 4.39Å; F8-L12 HydrophobicContact CE1-CD1 3.8Å; F8-L12 VanDerWaalsContact O-CB 3.28Å; F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 PolarHBondContact O-N 3.48Å; F8-W62 HydrophobicContact CB-CH2 3.98Å; F8-W62 HydrophobicContact CD1-CE3 4.39Å; F8-W62 AromaticContact CD1-CH2 3.35Å; F8-W62 HydrophobicContact CD1-CH2 3.35Å; F8-W62 AromaticContact CD1-CZ3 3.27Å; F8-W62 HydrophobicContact CD1-CZ3 3.27Å; F8-W62 HydrophobicContact CE1-CH2 4.22Å; F8-W62 AromaticContact CE1-CZ3 3.67Å; F8-W62 HydrophobicContact CE1-CZ3 3.67Å; F8-W62 HydrophobicContact CG-CH2 4.07Å; F8-W62 HydrophobicContact CG-CZ3 4.35Å |
| 9 | G | 75 | Confident | 69.6 | Low | 18 Ų | 18 | 82.9 Ų | 82.9 | 19% | 0.186 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L5 L6 I7 L12 M13 | L5-G9 PolarHBondContact O-N 2.92Å; L6-G9 PolarHBondContact O-N 2.85Å; I7-G9 PolarHBondContact O-N 3.42Å; G9-L12 PolarHBondContact O-N 2.81Å; G9-M13 WeakPolarHBondContact O-CB 3.35Å; G9-M13 PolarHBondContact O-N 2.87Å |
| 10 | T | 72.9 | Confident | 69.3 | Low | 87 Ų | 87 | 82.4 Ų | 82.4 | 53% | 0.534 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 176.2 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | L6 I7 F8 M13 N14 | L6-T10 WeakPolarHBondContact O-CB 3.44Å; L6-T10 PolarHBondContact O-N 3.4Å; L6-T10 PolarHBondContact O-OG1 2.75Å; I7-T10 PolarHBondContact O-N 3.21Å; F8-T10 VanDerWaalsContact C-N 3.34Å; F8-T10 PolarHBondContact O-N 2.82Å; T10-M13 PolarHBondContact O-N 2.92Å; T10-N14 WeakPolarHBondContact O-CB 3.48Å; T10-N14 PolarHBondContact O-N 3.45Å |
| 11 | L | 78.2 | Confident | 68.8 | Low | 111 Ų | 111 | 85.8 Ų | 85.8 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | 173.5 | -76.4 | 168.2 | 0 | 0 | 0 | 112.1 | I7 F8 N14 A15 | I7-L11 HydrophobicContact CG2-CD1 3.94Å; I7-L11 HydrophobicContact CG2-CG 4.49Å; I7-L11 WeakPolarHBondContact O-CB 3.22Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 3.29Å; F8-L11 PolarHBondContact O-N 2.98Å; L11-N14 PolarHBondContact O-N 3.44Å; L11-A15 WeakPolarHBondContact O-CB 3.19Å; L11-A15 PolarHBondContact O-N 3.43Å |
| 12 | L | 73 | Confident | 68.6 | Low | 51 Ų | 51 | 84.5 Ų | 84.5 | 27% | 0.267 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.7 | -165.7 | 151.5 | 0 | 0 | 0 | 111 | F8 G9 A15 G16 F58 | F8-L12 HydrophobicContact CD1-CD1 4.39Å; F8-L12 HydrophobicContact CE1-CD1 3.8Å; F8-L12 VanDerWaalsContact O-CB 3.28Å; F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 PolarHBondContact O-N 3.48Å; G9-L12 PolarHBondContact O-N 2.81Å; L12-A15 PolarHBondContact O-N 2.84Å; L12-G16 PolarHBondContact O-N 3.26Å; L12-F58 HydrophobicContact CD1-CD1 4.41Å; L12-F58 HydrophobicContact CD1-CE1 4.48Å; L12-F58 HydrophobicContact CD2-CD1 3.75Å; L12-F58 HydrophobicContact CD2-CE1 4.28Å |
| 13 | M | 69 | Low | 68.4 | Low | 125 Ų | 125 | 84 Ų | 84 | 62% | 0.616 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 172.9 | -167.8 | 174.1 | 92.5 | 0 | 0 | 112 | G9 T10 G16 A17 | G9-M13 WeakPolarHBondContact O-CB 3.35Å; G9-M13 PolarHBondContact O-N 2.87Å; T10-M13 PolarHBondContact O-N 2.92Å; M13-G16 PolarHBondContact O-N 3.35Å; M13-A17 WeakPolarHBondContact O-CB 3.37Å; M13-A17 PolarHBondContact O-N 2.84Å |
| 14 | N | 77.4 | Confident | 67.7 | Low | 102 Ų | 102 | 88.1 Ų | 88.1 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.4 | -168.2 | -65.9 | 0 | 0 | 0 | 111.5 | T10 L11 G16 A17 V18 | T10-N14 WeakPolarHBondContact O-CB 3.48Å; T10-N14 PolarHBondContact O-N 3.45Å; L11-N14 PolarHBondContact O-N 3.44Å; N14-G16 VanDerWaalsContact C-N 3.32Å; N14-G16 PolarHBondContact O-N 3.48Å; N14-A17 WeakPolarHBondContact O-CB 3.28Å; N14-A17 PolarHBondContact O-N 3.01Å; N14-A17 VanDerWaalsContact O-N 3.15Å; N14-V18 WeakPolarHBondContact O-CG2 3.42Å; N14-V18 PolarHBondContact O-N 3Å |
| 15 | A | 71.6 | Confident | 67 | Low | 48 Ų | 48 | 91.5 Ų | 91.5 | 40% | 0.397 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L11 L12 V18 L19 | L11-A15 WeakPolarHBondContact O-CB 3.19Å; L11-A15 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 2.84Å; A15-V18 PolarHBondContact O-N 3.32Å; A15-L19 VanDerWaalsContact O-CB 3.3Å; A15-L19 WeakPolarHBondContact O-CB 3.35Å; A15-L19 VanDerWaalsContact O-CG 3.27Å; A15-L19 WeakPolarHBondContact O-CG 3.38Å; A15-L19 PolarHBondContact O-N 3.3Å |
| 16 | G | 73.8 | Confident | 66.2 | Low | 17 Ų | 17 | 98.4 Ų | 98.4 | 18% | 0.175 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L12 M13 N14 L19 N20 | L12-G16 PolarHBondContact O-N 3.26Å; M13-G16 PolarHBondContact O-N 3.35Å; N14-G16 VanDerWaalsContact C-N 3.32Å; N14-G16 PolarHBondContact O-N 3.48Å; G16-L19 PolarHBondContact O-N 2.84Å; G16-N20 WeakPolarHBondContact O-CB 3.45Å; G16-N20 PolarHBondContact O-N 2.93Å |
| 17 | A | 70.1 | Confident | 65.3 | Low | 56 Ų | 56 | 97.5 Ų | 97.5 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M13 N14 N20 F21 | M13-A17 WeakPolarHBondContact O-CB 3.37Å; M13-A17 PolarHBondContact O-N 2.84Å; N14-A17 WeakPolarHBondContact O-CB 3.28Å; N14-A17 PolarHBondContact O-N 3.01Å; N14-A17 VanDerWaalsContact O-N 3.15Å; A17-N20 PolarHBondContact O-N 3.28Å; A17-F21 WeakPolarHBondContact O-CB 3.29Å; A17-F21 PolarHBondContact O-N 3.4Å |
| 18 | V | 65.6 | Low | 63.8 | Low | 82 Ų | 82 | 97.6 Ų | 97.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | N14 A15 F21 K22 | N14-V18 WeakPolarHBondContact O-CG2 3.42Å; N14-V18 PolarHBondContact O-N 3Å; A15-V18 PolarHBondContact O-N 3.32Å; V18-F21 CarbonylContact O-C 3.59Å; V18-F21 PolarHBondContact O-N 2.97Å; V18-K22 VanDerWaalsContact O-CB 3.31Å; V18-K22 WeakPolarHBondContact O-CB 3.32Å; V18-K22 PolarHBondContact O-N 3.44Å |
| 19 | L | 65.4 | Low | 62.4 | Low | 112 Ų | 112 | 99.2 Ų | 99.2 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 173.8 | -77.1 | 165 | 0 | 0 | 0 | 111.3 | A15 G16 F21 K22 L23 | A15-L19 VanDerWaalsContact O-CB 3.3Å; A15-L19 WeakPolarHBondContact O-CB 3.35Å; A15-L19 VanDerWaalsContact O-CG 3.27Å; A15-L19 WeakPolarHBondContact O-CG 3.38Å; A15-L19 PolarHBondContact O-N 3.3Å; G16-L19 PolarHBondContact O-N 2.84Å; L19-F21 VanDerWaalsContact C-N 3.33Å; L19-K22 PolarHBondContact O-N 3.34Å; L19-L23 VanDerWaalsContact O-CB 3.23Å; L19-L23 WeakPolarHBondContact O-CB 3.09Å; L19-L23 WeakPolarHBondContact O-CD1 3.09Å; L19-L23 WeakPolarHBondContact O-CG 3.37Å; L19-L23 PolarHBondContact O-N 2.83Å |
| 20 | N | 64.7 | Low | 61.1 | Low | 72 Ų | 72 | 101.7 Ų | 101.7 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 172.3 | -172 | -20.3 | 0 | 0 | 0 | 110.7 | G16 A17 L23 K24 F48 | G16-N20 WeakPolarHBondContact O-CB 3.45Å; G16-N20 PolarHBondContact O-N 2.93Å; A17-N20 PolarHBondContact O-N 3.28Å; N20-L23 PolarHBondContact O-N 3.24Å; N20-K24 VanDerWaalsContact O-CB 3.32Å; N20-K24 WeakPolarHBondContact O-CB 3.31Å; N20-K24 PolarHBondContact O-N 2.76Å; N20-F48 WeakPolarHBondContact OD1-CE1 3.28Å; N20-F48 VanDerWaalsContact OD1-CZ 3.26Å; N20-F48 WeakPolarHBondContact OD1-CZ 3.49Å |
| 21 | F | 57.6 | Low | 59.5 | Low | 154 Ų | 154 | 101.1 Ų | 101.1 | 68% | 0.675 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.4 | -36 | 175 | -134.5 | -87.4 | 0 | 0 | 0 | 113.3 | A17 V18 L19 K24 R25 | A17-F21 WeakPolarHBondContact O-CB 3.29Å; A17-F21 PolarHBondContact O-N 3.4Å; V18-F21 CarbonylContact O-C 3.59Å; V18-F21 PolarHBondContact O-N 2.97Å; L19-F21 VanDerWaalsContact C-N 3.33Å; F21-K24 WeakPolarHBondContact O-CB 3.19Å; F21-K24 PolarHBondContact O-N 3.27Å; F21-R25 WeakPolarHBondContact O-CB 3.27Å; F21-R25 PolarHBondContact O-N 2.81Å |
| 22 | K | 54.9 | Low | 58 | Low | 143 Ų | 143 | 106.4 Ų | 106.4 | 62% | 0.622 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.5 | -37.5 | 174 | -106.2 | -79.6 | -172.3 | 171.7 | 0 | 111.4 | V18 L19 R25 K26 | V18-K22 VanDerWaalsContact O-CB 3.31Å; V18-K22 WeakPolarHBondContact O-CB 3.32Å; V18-K22 PolarHBondContact O-N 3.44Å; L19-K22 PolarHBondContact O-N 3.34Å; K22-R25 PolarHBondContact O-N 3.37Å; K22-K26 WeakPolarHBondContact O-CB 3.42Å; K22-K26 PolarHBondContact O-N 3.37Å |
| 23 | L | 53.6 | Low | 57.1 | Low | 86 Ų | 86 | 107 Ų | 107 | 45% | 0.45 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.9 | -50.9 | 167.6 | -84.4 | 153.4 | 0 | 0 | 0 | 108.5 | L19 N20 R25 K26 E27 F48 | L19-L23 VanDerWaalsContact O-CB 3.23Å; L19-L23 WeakPolarHBondContact O-CB 3.09Å; L19-L23 WeakPolarHBondContact O-CD1 3.09Å; L19-L23 WeakPolarHBondContact O-CG 3.37Å; L19-L23 PolarHBondContact O-N 2.83Å; N20-L23 PolarHBondContact O-N 3.24Å; L23-R25 PolarHBondContact O-N 2.83Å; L23-R25 VanDerWaalsContact O-N 3.12Å; L23-K26 CarbonylContact O-C 3.43Å; L23-K26 VanDerWaalsContact O-CA 3.24Å; L23-K26 WeakPolarHBondContact O-CA 3.3Å; L23-K26 WeakPolarHBondContact O-CB 3.39Å; L23-K26 PolarHBondContact O-N 2.8Å; L23-E27 VanDerWaalsContact C-OE1 3.24Å; L23-E27 WeakPolarHBondContact O-CG 3.47Å; L23-E27 PolarHBondContact O-N 3.04Å; L23-F48 HydrophobicContact CB-CE2 3.99Å; L23-F48 HydrophobicContact CB-CZ 3.97Å; L23-F48 HydrophobicContact CD1-CZ 4.5Å |
| 24 | K | 49.7 | Very low | 56.2 | Low | 121 Ų | 121 | 108.6 Ų | 108.6 | 53% | 0.526 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -49.8 | -39.3 | 174 | -142.1 | -178 | -174.8 | -167 | 0 | 114.1 | N20 F21 E27 T28 | N20-K24 VanDerWaalsContact O-CB 3.32Å; N20-K24 WeakPolarHBondContact O-CB 3.31Å; N20-K24 PolarHBondContact O-N 2.76Å; F21-K24 WeakPolarHBondContact O-CB 3.19Å; F21-K24 PolarHBondContact O-N 3.27Å; K24-E27 VanDerWaalsContact CA-CD 3.42Å; K24-E27 VanDerWaalsContact CA-CG 3.45Å; K24-E27 WeakPolarHBondContact CA-OE1 3.49Å; K24-E27 PolarHBondContact N-OE1 3.48Å; K24-T28 PolarHBondContact O-N 3.15Å; K24-T28 PolarHBondContact O-OG1 2.84Å |
| 25 | R | 52.2 | Low | 54.4 | Low | 179 Ų | 179 | 110.6 Ų | 110.6 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.9 | -23 | 174.7 | -164.9 | 172.8 | -178.1 | 173.5 | 1.1 | 113.4 | F21 K22 L23 H29 | F21-R25 WeakPolarHBondContact O-CB 3.27Å; F21-R25 PolarHBondContact O-N 2.81Å; K22-R25 PolarHBondContact O-N 3.37Å; L23-R25 PolarHBondContact O-N 2.83Å; L23-R25 VanDerWaalsContact O-N 3.12Å; R25-H29 PolarHBondContact O-CD2 3.36Å |
| 26 | K | 48.4 | Very low | 53.8 | Low | 167 Ų | 167 | 113.6 Ų | 113.6 | 73% | 0.726 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.5 | -34.4 | 174.1 | -153.9 | -175.9 | 178.4 | -159.4 | 0 | 112.4 | K22 L23 T28 H29 | K22-K26 WeakPolarHBondContact O-CB 3.42Å; K22-K26 PolarHBondContact O-N 3.37Å; L23-K26 CarbonylContact O-C 3.43Å; L23-K26 VanDerWaalsContact O-CA 3.24Å; L23-K26 WeakPolarHBondContact O-CA 3.3Å; L23-K26 WeakPolarHBondContact O-CB 3.39Å; L23-K26 PolarHBondContact O-N 2.8Å; K26-T28 VanDerWaalsContact C-N 3.31Å; K26-T28 PolarHBondContact O-N 2.88Å; K26-H29 PolarHBondContact O-N 3.44Å |
| 27 | E | 49.8 | Very low | 52.6 | Low | 92 Ų | 92 | 122.9 Ų | 122.9 | 43% | 0.43 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.6 | -24.7 | 173.6 | 5.6 | 169.9 | 168.3 | 0 | 0 | 112.7 | L23 K24 F48 | L23-E27 VanDerWaalsContact C-OE1 3.24Å; L23-E27 WeakPolarHBondContact O-CG 3.47Å; L23-E27 PolarHBondContact O-N 3.04Å; K24-E27 VanDerWaalsContact CA-CD 3.42Å; K24-E27 VanDerWaalsContact CA-CG 3.45Å; K24-E27 WeakPolarHBondContact CA-OE1 3.49Å; K24-E27 PolarHBondContact N-OE1 3.48Å; E27-F48 WeakPolarHBondContact OE1-CE2 2.83Å; E27-F48 WeakPolarHBondContact OE1-CZ 3.07Å |
| 28 | T | 46.7 | Very low | 51.2 | Low | 108 Ų | 108 | 123 Ų | 123 | 66% | 0.663 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -13.7 | 176.9 | -53.1 | 0 | 0 | 0 | 0 | 112.9 | K24 K26 | K24-T28 PolarHBondContact O-N 3.15Å; K24-T28 PolarHBondContact O-OG1 2.84Å; K26-T28 VanDerWaalsContact C-N 3.31Å; K26-T28 PolarHBondContact O-N 2.88Å |
| 29 | H | 40.9 | Very low | 50.4 | Low | 152 Ų | 152 | 125.1 Ų | 125.1 | 70% | 0.704 | 67% | 0.668 | S | S | * | * | trans | -111.3 | 47 | -176 | -77.2 | -97.4 | 0 | 0 | 0 | 112.2 | R25 K26 | R25-H29 PolarHBondContact O-CD2 3.36Å; K26-H29 PolarHBondContact O-N 3.44Å | ||
| 30 | G | 47 | Very low | 49.9 | Very low | 70 Ų | 70 | 124.7 Ų | 124.7 | 72% | 0.722 | 67% | 0.67 | S | S | * | * | trans | -108.5 | 111.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 31 | G | 40.7 | Very low | 49.3 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 68% | 0.681 | S | S | * | * | trans | 91.6 | 85.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G33 | G31-G33 PolarHBondContact O-N 2.86Š| ||
| 32 | F | 45.5 | Very low | 49 | Very low | 222 Ų | 222 | 120.9 Ų | 120.9 | 97% | 0.974 | 67% | 0.672 | S | S | * | * | trans | -59.6 | 119.8 | 151 | -175.4 | -92.7 | 0 | 0 | 0 | 109.1 | ||||
| 33 | G | 54 | Low | 49.2 | Very low | 62 Ų | 62 | 118.9 Ų | 118.9 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 106 | 120.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | G31 | G31-G33 PolarHBondContact O-N 2.86Š|
| 34 | D | 51 | Low | 49.1 | Very low | 160 Ų | 160 | 118.9 Ų | 118.9 | 86% | 0.856 | 67% | 0.668 | S | S | * | * | trans | 63.7 | 127.1 | 149.9 | -88.7 | -86.5 | 0 | 0 | 0 | 123.6 | ||||
| 35 | E | 39.9 | Very low | 49.3 | Very low | 143 Ų | 143 | 117.6 Ų | 117.6 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | trans | 108 | 131.1 | 141.4 | -147.5 | 161.7 | 107.3 | 0 | 0 | 119 | R37 | E35-R37 IonicContact OE1-NH1 3.33Å; E35-R37 PolarHBondContact OE1-NH1 2.92Å | ||
| 36 | P | 57.3 | Low | 49.7 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -95.2 | 102.3 | -174.5 | 34.4 | -23.5 | 0 | 0 | 0 | 110.4 | ||||
| 37 | R | 48.6 | Very low | 50.1 | Low | 212 Ų | 212 | 115.6 Ų | 115.6 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | trans | -168.8 | 124.9 | 168.3 | -96.2 | 131.2 | -176.6 | -169.2 | 2 | 112.4 | E35 | E35-R37 IonicContact OE1-NH1 3.33Å; E35-R37 PolarHBondContact OE1-NH1 2.92Å | ||
| 38 | G | 41.8 | Very low | 50.3 | Low | 58 Ų | 58 | 113.2 Ų | 113.2 | 60% | 0.598 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 87.1 | 156 | 150 | 0 | 0 | 0 | 0 | 0 | 117.7 | T40 | G38-T40 PolarHBondContact O-N 2.84Š|
| 39 | P | 49.6 | Very low | 50.9 | Low | 126 Ų | 126 | 113.2 Ų | 113.2 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -79.2 | 101.4 | -161.1 | 33.3 | -32.6 | 0 | 0 | 0 | 111.5 | ||||
| 40 | T | 53.9 | Low | 51.8 | Low | 103 Ų | 103 | 111.3 Ų | 111.3 | 63% | 0.632 | 64% | 0.638 | S | S | * | * | trans | -124.6 | -5.6 | -175 | 50.8 | 0 | 0 | 0 | 0 | 114.9 | G38 N44 | G38-T40 PolarHBondContact O-N 2.84Å; T40-N44 PolarHBondContact O-ND2 2.7Å | ||
| 41 | T | 52 | Low | 52.3 | Low | 99 Ų | 99 | 110.8 Ų | 110.8 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -93.8 | -28.1 | 174.6 | -44.4 | 0 | 0 | 0 | 0 | 112.6 | N44 I45 | T41-N44 PolarHBondContact O-N 3.19Å; T41-I45 HydrophobicContact CG2-CD1 3.96Å; T41-I45 WeakPolarHBondContact O-CD1 3.32Å; T41-I45 WeakPolarHBondContact O-CG1 3.42Å; T41-I45 PolarHBondContact O-N 3.35Å |
| 42 | G | 51 | Low | 53.1 | Low | 47 Ų | 47 | 111.8 Ų | 111.8 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.6 | -38.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I45 R46 | G42-I45 PolarHBondContact O-N 3.04Å; G42-R46 VanDerWaalsContact O-CB 3.25Å; G42-R46 WeakPolarHBondContact O-CB 3.46Å; G42-R46 PolarHBondContact O-N 3.49Å |
| 43 | D | 58.8 | Low | 53.8 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.3 | -39.5 | 178.2 | -98.2 | -61.2 | 0 | 0 | 0 | 112.6 | I45 R46 E47 | D43-I45 PolarHBondContact O-N 3.12Å; D43-R46 CarbonylContact O-C 3.57Å; D43-R46 WeakPolarHBondContact O-CB 3.28Å; D43-R46 PolarHBondContact O-N 3.48Å; D43-R46 VanDerWaalsContact O-N 3.16Å; D43-E47 WeakPolarHBondContact O-CB 3.49Å; D43-E47 PolarHBondContact O-N 2.94Å |
| 44 | N | 52.6 | Low | 53.8 | Low | 87 Ų | 87 | 114.5 Ų | 114.5 | 47% | 0.465 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -42.7 | 176.1 | -69.8 | -76.5 | 0 | 0 | 0 | 111.9 | T40 T41 R46 E47 F48 | T40-N44 PolarHBondContact O-ND2 2.7Å; T41-N44 PolarHBondContact O-N 3.19Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-E47 PolarHBondContact O-N 2.89Å; N44-F48 WeakPolarHBondContact O-CB 3.45Å; N44-F48 PolarHBondContact O-N 3.1Å |
| 45 | I | 54.5 | Low | 54.1 | Low | 94 Ų | 94 | 110.4 Ų | 110.4 | 48% | 0.482 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.3 | -35 | 176.5 | -57.6 | 161.3 | 0 | 0 | 0 | 110.5 | T41 G42 D43 F48 L49 | T41-I45 HydrophobicContact CG2-CD1 3.96Å; T41-I45 WeakPolarHBondContact O-CD1 3.32Å; T41-I45 WeakPolarHBondContact O-CG1 3.42Å; T41-I45 PolarHBondContact O-N 3.35Å; G42-I45 PolarHBondContact O-N 3.04Å; D43-I45 PolarHBondContact O-N 3.12Å; I45-F48 CarbonylContact O-C 3.29Å; I45-F48 PolarHBondContact O-N 3.46Å; I45-L49 HydrophobicContact CG2-CD1 4.15Å; I45-L49 WeakPolarHBondContact O-CB 3.11Å; I45-L49 PolarHBondContact O-N 2.92Å |
| 46 | R | 58.8 | Low | 55.4 | Low | 172 Ų | 172 | 112.1 Ų | 112.1 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.2 | -39.9 | 176.5 | -160.3 | 170.4 | -179.4 | -94.9 | 0.1 | 111.1 | G42 D43 N44 F48 L49 L50 | G42-R46 VanDerWaalsContact O-CB 3.25Å; G42-R46 WeakPolarHBondContact O-CB 3.46Å; G42-R46 PolarHBondContact O-N 3.49Å; D43-R46 CarbonylContact O-C 3.57Å; D43-R46 WeakPolarHBondContact O-CB 3.28Å; D43-R46 PolarHBondContact O-N 3.48Å; D43-R46 VanDerWaalsContact O-N 3.16Å; N44-R46 VanDerWaalsContact C-N 3.33Å; R46-F48 VanDerWaalsContact C-N 3.33Å; R46-L49 PolarHBondContact O-N 3.44Å; R46-L50 WeakPolarHBondContact O-CB 3.24Å; R46-L50 PolarHBondContact O-N 2.81Å |
| 47 | E | 57.3 | Low | 55.8 | Low | 131 Ų | 131 | 110.6 Ų | 110.6 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.7 | -34 | 168.9 | -78.2 | -173.6 | 145.9 | 0 | 0 | 111.9 | D43 N44 L50 S51 | D43-E47 WeakPolarHBondContact O-CB 3.49Å; D43-E47 PolarHBondContact O-N 2.94Å; N44-E47 PolarHBondContact O-N 2.89Å; E47-L50 CarbonylContact O-C 3.55Å; E47-L50 PolarHBondContact O-N 3.39Å; E47-S51 WeakPolarHBondContact O-CB 3.47Å; E47-S51 PolarHBondContact O-N 2.73Å |
| 48 | F | 54.8 | Low | 56.7 | Low | 42 Ų | 42 | 105.7 Ų | 105.7 | 18% | 0.184 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -71.5 | -38.5 | 174.1 | -129.4 | -84.2 | 0 | 0 | 0 | 113.1 | N20 L23 E27 N44 I45 R46 L50 S51 L52 | N20-F48 WeakPolarHBondContact OD1-CE1 3.28Å; N20-F48 VanDerWaalsContact OD1-CZ 3.26Å; N20-F48 WeakPolarHBondContact OD1-CZ 3.49Å; L23-F48 HydrophobicContact CB-CE2 3.99Å; L23-F48 HydrophobicContact CB-CZ 3.97Å; L23-F48 HydrophobicContact CD1-CZ 4.5Å; E27-F48 WeakPolarHBondContact OE1-CE2 2.83Å; E27-F48 WeakPolarHBondContact OE1-CZ 3.07Å; N44-F48 WeakPolarHBondContact O-CB 3.45Å; N44-F48 PolarHBondContact O-N 3.1Å; I45-F48 CarbonylContact O-C 3.29Å; I45-F48 PolarHBondContact O-N 3.46Å; R46-F48 VanDerWaalsContact C-N 3.33Å; F48-L50 VanDerWaalsContact C-N 3.35Å; F48-S51 CarbonylContact O-C 3.48Å; F48-S51 WeakPolarHBondContact O-CB 3.04Å; F48-S51 PolarHBondContact O-N 2.75Å; F48-L52 WeakPolarHBondContact O-CB 3.23Å; F48-L52 PolarHBondContact O-N 2.98Å |
| 49 | L | 59.2 | Low | 57.9 | Low | 109 Ų | 109 | 107.3 Ų | 107.3 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.4 | -34.7 | 172.5 | -86.1 | 163.8 | 0 | 0 | 0 | 111.5 | I45 R46 L52 R53 | I45-L49 HydrophobicContact CG2-CD1 4.15Å; I45-L49 WeakPolarHBondContact O-CB 3.11Å; I45-L49 PolarHBondContact O-N 2.92Å; R46-L49 PolarHBondContact O-N 3.44Å; L49-L52 HydrophobicContact CD2-CD1 4.28Å; L49-L52 WeakPolarHBondContact O-CB 3.26Å; L49-L52 PolarHBondContact O-N 3.32Å; L49-R53 PolarHBondContact O-N 3.45Å |
| 50 | L | 59.8 | Low | 58.7 | Low | 112 Ų | 112 | 103.7 Ų | 103.7 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.5 | -36.5 | 172.2 | -157.2 | 145.6 | 0 | 0 | 0 | 110.7 | R46 E47 F48 R53 Y54 | R46-L50 WeakPolarHBondContact O-CB 3.24Å; R46-L50 PolarHBondContact O-N 2.81Å; E47-L50 CarbonylContact O-C 3.55Å; E47-L50 PolarHBondContact O-N 3.39Å; F48-L50 VanDerWaalsContact C-N 3.35Å; L50-R53 VanDerWaalsContact O-CB 3.31Å; L50-R53 WeakPolarHBondContact O-CB 3.33Å; L50-R53 PolarHBondContact O-N 3.06Å; L50-Y54 PolarHBondContact O-N 3.46Å |
| 51 | S | 56.3 | Low | 59.6 | Low | 58 Ų | 58 | 104.3 Ų | 104.3 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -33.7 | 167.6 | 167.1 | 0 | 0 | 0 | 0 | 112.5 | E47 F48 Y54 F55 | E47-S51 WeakPolarHBondContact O-CB 3.47Å; E47-S51 PolarHBondContact O-N 2.73Å; F48-S51 CarbonylContact O-C 3.48Å; F48-S51 WeakPolarHBondContact O-CB 3.04Å; F48-S51 PolarHBondContact O-N 2.75Å; S51-Y54 CarbonylContact O-C 3.59Å; S51-Y54 VanDerWaalsContact O-C 3.29Å; S51-Y54 VanDerWaalsContact O-CA 3.27Å; S51-Y54 WeakPolarHBondContact O-CA 3.41Å; S51-Y54 WeakPolarHBondContact O-CB 3.38Å; S51-Y54 PolarHBondContact O-N 3.1Å; S51-F55 PolarHBondContact O-N 3.41Å |
| 52 | L | 58.4 | Low | 60.5 | Low | 97 Ų | 97 | 102.3 Ų | 102.3 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -35.3 | 171.6 | -113.3 | 159.7 | 0 | 0 | 0 | 112.1 | F48 L49 F55 R56 | F48-L52 WeakPolarHBondContact O-CB 3.23Å; F48-L52 PolarHBondContact O-N 2.98Å; L49-L52 HydrophobicContact CD2-CD1 4.28Å; L49-L52 WeakPolarHBondContact O-CB 3.26Å; L49-L52 PolarHBondContact O-N 3.32Å; L52-F55 WeakPolarHBondContact O-CB 3.4Å; L52-F55 PolarHBondContact O-N 2.9Å; L52-R56 PolarHBondContact O-N 2.8Å |
| 53 | R | 59.5 | Low | 61.5 | Low | 194 Ų | 194 | 105.2 Ų | 105.2 | 73% | 0.732 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -31.8 | 167.8 | -154 | 176 | 180 | 173.5 | -0.5 | 110.9 | L49 L50 R56 | L49-R53 PolarHBondContact O-N 3.45Å; L50-R53 VanDerWaalsContact O-CB 3.31Å; L50-R53 WeakPolarHBondContact O-CB 3.33Å; L50-R53 PolarHBondContact O-N 3.06Å; R53-R56 VanDerWaalsContact O-CB 3.27Å; R53-R56 WeakPolarHBondContact O-CB 3.15Å; R53-R56 PolarHBondContact O-N 3.31Å |
| 54 | Y | 55.1 | Low | 62.3 | Low | 147 Ų | 147 | 106.1 Ų | 106.1 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.9 | -27.6 | 171.9 | -146.2 | -91.4 | 0 | 0 | 0 | 113.6 | L50 S51 R56 I57 F58 | L50-Y54 PolarHBondContact O-N 3.46Å; S51-Y54 CarbonylContact O-C 3.59Å; S51-Y54 VanDerWaalsContact O-C 3.29Å; S51-Y54 VanDerWaalsContact O-CA 3.27Å; S51-Y54 WeakPolarHBondContact O-CA 3.41Å; S51-Y54 WeakPolarHBondContact O-CB 3.38Å; S51-Y54 PolarHBondContact O-N 3.1Å; Y54-R56 PolarHBondContact O-N 3.43Å; Y54-I57 HydrophobicContact CD2-CD1 4.01Å; Y54-I57 HydrophobicContact CE2-CD1 4.45Å; Y54-I57 HydrophobicContact CG-CD1 4.23Å; Y54-I57 WeakPolarHBondContact O-CA 3.13Å; Y54-I57 WeakPolarHBondContact O-CB 3.38Å; Y54-I57 PolarHBondContact O-N 2.78Å; Y54-F58 PolarHBondContact O-N 3.4Å |
| 55 | F | 57.7 | Low | 63.3 | Low | 74 Ų | 74 | 106.4 Ų | 106.4 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -29.6 | 170.5 | -165 | -99.7 | 0 | 0 | 0 | 111 | S51 L52 I57 F58 I59 | S51-F55 PolarHBondContact O-N 3.41Å; L52-F55 WeakPolarHBondContact O-CB 3.4Å; L52-F55 PolarHBondContact O-N 2.9Å; F55-I57 VanDerWaalsContact C-N 3.26Å; F55-I57 PolarHBondContact O-N 2.97Å; F55-F58 WeakPolarHBondContact O-CB 3.41Å; F55-F58 PolarHBondContact O-N 3.48Å; F55-F58 VanDerWaalsContact O-N 3.1Å; F55-I59 HydrophobicContact CD1-CD1 3.75Å; F55-I59 HydrophobicContact CD1-CG1 4.29Å; F55-I59 HydrophobicContact CE1-CD1 3.88Å; F55-I59 HydrophobicContact CE1-CG1 4.29Å; F55-I59 PolarHBondContact O-N 3.35Å |
| 56 | R | 66.1 | Low | 64.2 | Low | 179 Ų | 179 | 104.8 Ų | 104.8 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.2 | -26.6 | 169.8 | -147.3 | -173 | -74.8 | -171.4 | -3.9 | 112.4 | L52 R53 Y54 I59 A60 | L52-R56 PolarHBondContact O-N 2.8Å; R53-R56 VanDerWaalsContact O-CB 3.27Å; R53-R56 WeakPolarHBondContact O-CB 3.15Å; R53-R56 PolarHBondContact O-N 3.31Å; Y54-R56 PolarHBondContact O-N 3.43Å; R56-I59 PolarHBondContact O-N 2.7Å; R56-A60 WeakPolarHBondContact O-CB 3.21Å; R56-A60 PolarHBondContact O-N 3.32Å |
| 57 | I | 66.7 | Low | 65.1 | Low | 81 Ų | 81 | 102.4 Ų | 102.4 | 42% | 0.415 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 168.3 | -81.8 | 97 | 0 | 0 | 0 | 110.4 | Y54 F55 I59 A60 L61 | Y54-I57 HydrophobicContact CD2-CD1 4.01Å; Y54-I57 HydrophobicContact CE2-CD1 4.45Å; Y54-I57 HydrophobicContact CG-CD1 4.23Å; Y54-I57 WeakPolarHBondContact O-CA 3.13Å; Y54-I57 WeakPolarHBondContact O-CB 3.38Å; Y54-I57 PolarHBondContact O-N 2.78Å; F55-I57 VanDerWaalsContact C-N 3.26Å; F55-I57 PolarHBondContact O-N 2.97Å; I57-I59 VanDerWaalsContact C-N 3.34Å; I57-I59 PolarHBondContact O-N 3.28Å; I57-A60 PolarHBondContact O-N 3.03Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 PolarHBondContact O-N 3.36Å |
| 58 | F | 67.3 | Low | 66 | Low | 108 Ų | 108 | 101.6 Ų | 101.6 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 175.2 | -97.9 | -82.9 | 0 | 0 | 0 | 112 | L12 Y54 F55 W62 | L12-F58 HydrophobicContact CD1-CD1 4.41Å; L12-F58 HydrophobicContact CD1-CE1 4.48Å; L12-F58 HydrophobicContact CD2-CD1 3.75Å; L12-F58 HydrophobicContact CD2-CE1 4.28Å; Y54-F58 PolarHBondContact O-N 3.4Å; F55-F58 WeakPolarHBondContact O-CB 3.41Å; F55-F58 PolarHBondContact O-N 3.48Å; F55-F58 VanDerWaalsContact O-N 3.1Å; F58-W62 WeakPolarHBondContact O-CB 2.96Å; F58-W62 PolarHBondContact O-N 2.77Å |
| 59 | I | 67.8 | Low | 66.5 | Low | 93 Ų | 93 | 101.1 Ų | 101.1 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 176.3 | -62.4 | 166.8 | 0 | 0 | 0 | 111.5 | F55 R56 I57 W62 N63 | F55-I59 HydrophobicContact CD1-CD1 3.75Å; F55-I59 HydrophobicContact CD1-CG1 4.29Å; F55-I59 HydrophobicContact CE1-CD1 3.88Å; F55-I59 HydrophobicContact CE1-CG1 4.29Å; F55-I59 PolarHBondContact O-N 3.35Å; R56-I59 PolarHBondContact O-N 2.7Å; I57-I59 VanDerWaalsContact C-N 3.34Å; I57-I59 PolarHBondContact O-N 3.28Å; I59-W62 PolarHBondContact O-N 3.27Å; I59-N63 VanDerWaalsContact O-CB 3.28Å; I59-N63 WeakPolarHBondContact O-CB 3.35Å; I59-N63 PolarHBondContact O-N 3.32Å |
| 60 | A | 66.1 | Low | 67.1 | Low | 50 Ų | 50 | 101.2 Ų | 101.2 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R56 I57 W62 N63 I64 | R56-A60 WeakPolarHBondContact O-CB 3.21Å; R56-A60 PolarHBondContact O-N 3.32Å; I57-A60 PolarHBondContact O-N 3.03Å; A60-W62 VanDerWaalsContact C-N 3.32Å; A60-N63 WeakPolarHBondContact O-CB 3.13Å; A60-N63 PolarHBondContact O-N 2.73Å; A60-I64 PolarHBondContact O-N 3.35Å |
| 61 | L | 72.8 | Confident | 67.7 | Low | 116 Ų | 116 | 100.7 Ų | 100.7 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 174.6 | -170.2 | 144.3 | 0 | 0 | 0 | 110.4 | I57 F65 | I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 PolarHBondContact O-N 3.36Å; L61-F65 VanDerWaalsContact O-CB 3.29Å; L61-F65 WeakPolarHBondContact O-CB 3.19Å; L61-F65 PolarHBondContact O-N 2.99Å |
| 62 | W | 69.8 | Low | 68.1 | Low | 56 Ų | 56 | 102.8 Ų | 102.8 | 21% | 0.212 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 170.5 | -174.8 | -105.6 | 0 | 0 | 0 | 113.1 | L5 F8 F58 I59 A60 F65 M66 | L5-W62 HydrophobicContact CD1-CH2 3.27Å; L5-W62 HydrophobicContact CD1-CZ2 3.77Å; L5-W62 HydrophobicContact CD1-CZ3 3.97Å; L5-W62 HydrophobicContact CG-CH2 3.84Å; L5-W62 HydrophobicContact CG-CZ2 3.78Å; L5-W62 WeakPolarHBondContact O-CH2 3.29Å; L5-W62 WeakPolarHBondContact O-CZ2 3.45Å; F8-W62 HydrophobicContact CB-CH2 3.98Å; F8-W62 HydrophobicContact CD1-CE3 4.39Å; F8-W62 AromaticContact CD1-CH2 3.35Å; F8-W62 HydrophobicContact CD1-CH2 3.35Å; F8-W62 AromaticContact CD1-CZ3 3.27Å; F8-W62 HydrophobicContact CD1-CZ3 3.27Å; F8-W62 HydrophobicContact CE1-CH2 4.22Å; F8-W62 AromaticContact CE1-CZ3 3.67Å; F8-W62 HydrophobicContact CE1-CZ3 3.67Å; F8-W62 HydrophobicContact CG-CH2 4.07Å; F8-W62 HydrophobicContact CG-CZ3 4.35Å; F58-W62 WeakPolarHBondContact O-CB 2.96Å; F58-W62 PolarHBondContact O-N 2.77Å; I59-W62 PolarHBondContact O-N 3.27Å; A60-W62 VanDerWaalsContact C-N 3.32Å; W62-F65 HydrophobicContact CE3-CD1 4.47Å; W62-F65 HydrophobicContact CZ3-CD1 4.24Å; W62-F65 WeakPolarHBondContact O-CB 3.35Å; W62-F65 PolarHBondContact O-N 2.99Å; W62-M66 VanDerWaalsContact O-CG 3.28Å; W62-M66 WeakPolarHBondContact O-CG 3.31Å; W62-M66 PolarHBondContact O-N 3.47Å |
| 63 | N | 73.1 | Confident | 68.3 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.4 | -42.5 | 178.1 | -168 | -95.2 | 0 | 0 | 0 | 112.4 | I59 A60 F65 M66 M67 | I59-N63 VanDerWaalsContact O-CB 3.28Å; I59-N63 WeakPolarHBondContact O-CB 3.35Å; I59-N63 PolarHBondContact O-N 3.32Å; A60-N63 WeakPolarHBondContact O-CB 3.13Å; A60-N63 PolarHBondContact O-N 2.73Å; N63-F65 VanDerWaalsContact C-N 3.29Å; N63-F65 PolarHBondContact O-N 3.44Å; N63-M66 WeakPolarHBondContact O-CB 3.27Å; N63-M66 PolarHBondContact O-N 2.77Å; N63-M67 PolarHBondContact O-N 3.44Å |
| 64 | I | 73.9 | Confident | 68.1 | Low | 120 Ų | 120 | 101.8 Ų | 101.8 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -40 | 171.4 | -73.9 | 174.4 | 0 | 0 | 0 | 110.6 | A60 M67 F68 | A60-I64 PolarHBondContact O-N 3.35Å; I64-M67 PolarHBondContact O-N 3.45Å; I64-F68 VanDerWaalsContact O-CB 3.32Å; I64-F68 WeakPolarHBondContact O-CB 3.36Å; I64-F68 PolarHBondContact O-N 2.84Å |
| 65 | F | 74.9 | Confident | 68.2 | Low | 92 Ų | 92 | 98.2 Ų | 98.2 | 40% | 0.404 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.5 | -171.8 | -100.6 | 0 | 0 | 0 | 112.2 | L5 L61 W62 N63 F68 C69 | L5-F65 HydrophobicContact CD1-CD1 3.81Å; L5-F65 HydrophobicContact CD1-CE1 3.46Å; L5-F65 VanDerWaalsContact CD1-CE1 3.46Å; L61-F65 VanDerWaalsContact O-CB 3.29Å; L61-F65 WeakPolarHBondContact O-CB 3.19Å; L61-F65 PolarHBondContact O-N 2.99Å; W62-F65 HydrophobicContact CE3-CD1 4.47Å; W62-F65 HydrophobicContact CZ3-CD1 4.24Å; W62-F65 WeakPolarHBondContact O-CB 3.35Å; W62-F65 PolarHBondContact O-N 2.99Å; N63-F65 VanDerWaalsContact C-N 3.29Å; N63-F65 PolarHBondContact O-N 3.44Å; F65-F68 PolarHBondContact O-N 3.45Å; F65-C69 WeakPolarHBondContact O-CB 3.36Å; F65-C69 PolarHBondContact O-N 3.16Å |
| 66 | M | 72.1 | Confident | 67.8 | Low | 61 Ų | 61 | 101.9 Ų | 101.9 | 30% | 0.3 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 173.3 | -69.7 | -78.8 | -70.2 | 0 | 0 | 112.2 | L5 W62 N63 C69 M70 | L5-M66 HydrophobicContact CB-SD 4.47Å; L5-M66 HydrophobicContact CD2-CE 4.4Å; L5-M66 HydrophobicContact CD2-CG 4.32Å; L5-M66 HydrophobicContact CD2-SD 3.09Å; L5-M66 WeakPolarHBondContact CD2-SD 3.27Å; L5-M66 HydrophobicContact CG-SD 3.51Å; L5-M66 VanDerWaalsContact CG-SD 3.51Å; W62-M66 VanDerWaalsContact O-CG 3.28Å; W62-M66 WeakPolarHBondContact O-CG 3.31Å; W62-M66 PolarHBondContact O-N 3.47Å; N63-M66 WeakPolarHBondContact O-CB 3.27Å; N63-M66 PolarHBondContact O-N 2.77Å; M66-C69 PolarHBondContact O-N 3.27Å; M66-M70 PolarHBondContact O-N 2.88Å |
| 67 | M | 77.6 | Confident | 67.9 | Low | 122 Ų | 122 | 98 Ų | 98 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 177.4 | -176 | 179.1 | 172.3 | 0 | 0 | 111.5 | N63 I64 M70 I71 | N63-M67 PolarHBondContact O-N 3.44Å; I64-M67 PolarHBondContact O-N 3.45Å; M67-M70 PolarHBondContact O-N 3.44Å; M67-I71 HydrophobicContact CE-CD1 4.25Å; M67-I71 HydrophobicContact CG-CD1 4.3Å; M67-I71 WeakPolarHBondContact O-CG1 3.45Å; M67-I71 PolarHBondContact O-N 3.49Å |
| 68 | F | 76.3 | Confident | 67.9 | Low | 114 Ų | 114 | 98.9 Ų | 98.9 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 175.8 | -173.4 | -108.9 | 0 | 0 | 0 | 112.2 | I64 F65 M70 I71 L72 | I64-F68 VanDerWaalsContact O-CB 3.32Å; I64-F68 WeakPolarHBondContact O-CB 3.36Å; I64-F68 PolarHBondContact O-N 2.84Å; F65-F68 PolarHBondContact O-N 3.45Å; F68-M70 VanDerWaalsContact C-N 3.32Å; F68-M70 PolarHBondContact O-N 3.48Å; F68-I71 PolarHBondContact O-N 2.93Å; F68-L72 HydrophobicContact CD1-CD1 3.68Å; F68-L72 HydrophobicContact CD1-CG 4.33Å; F68-L72 HydrophobicContact CE1-CD1 3.13Å; F68-L72 HydrophobicContact CE1-CG 3.97Å; F68-L72 HydrophobicContact CE2-CD1 4.3Å; F68-L72 HydrophobicContact CE2-CG 4.32Å; F68-L72 HydrophobicContact CG-CD1 4.48Å; F68-L72 HydrophobicContact CZ-CD1 3.49Å; F68-L72 VanDerWaalsContact CZ-CD1 3.49Å; F68-L72 HydrophobicContact CZ-CD2 4.38Å; F68-L72 HydrophobicContact CZ-CG 3.94Å; F68-L72 WeakPolarHBondContact O-CB 3.13Å; F68-L72 PolarHBondContact O-N 3.33Å |
| 69 | C | 66.3 | Low | 68 | Low | 32 Ų | 32 | 98.4 Ų | 98.4 | 22% | 0.216 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 172.1 | -85.2 | 0 | 0 | 0 | 0 | 112 | L5 F65 M66 L73 | L5-C69 HydrophobicContact CD2-CB 4.38Å; F65-C69 WeakPolarHBondContact O-CB 3.36Å; F65-C69 PolarHBondContact O-N 3.16Å; M66-C69 PolarHBondContact O-N 3.27Å; C69-L73 VanDerWaalsContact O-CB 3.22Å; C69-L73 WeakPolarHBondContact O-CB 3.48Å; C69-L73 PolarHBondContact O-N 2.76Å |
| 70 | M | 72.4 | Confident | 68 | Low | 110 Ų | 110 | 98.7 Ų | 98.7 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -43 | 174.5 | -88.8 | -163.4 | 154.8 | 0 | 0 | 112.2 | M66 M67 F68 L73 F74 | M66-M70 PolarHBondContact O-N 2.88Å; M67-M70 PolarHBondContact O-N 3.44Å; F68-M70 VanDerWaalsContact C-N 3.32Å; F68-M70 PolarHBondContact O-N 3.48Å; M70-L73 PolarHBondContact O-N 2.84Å; M70-F74 WeakPolarHBondContact O-CB 3.36Å; M70-F74 WeakPolarHBondContact O-CD2 3.49Å; M70-F74 PolarHBondContact O-N 3.33Å |
| 71 | I | 72.7 | Confident | 68.1 | Low | 101 Ų | 101 | 101.8 Ų | 101.8 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 179 | -68.5 | 169.1 | 0 | 0 | 0 | 111.6 | M67 F68 G75 | M67-I71 HydrophobicContact CE-CD1 4.25Å; M67-I71 HydrophobicContact CG-CD1 4.3Å; M67-I71 WeakPolarHBondContact O-CG1 3.45Å; M67-I71 PolarHBondContact O-N 3.49Å; F68-I71 PolarHBondContact O-N 2.93Å; I71-G75 WeakPolarHBondContact O-CA 3.25Å; I71-G75 PolarHBondContact O-N 3.19Å |
| 72 | L | 64.1 | Low | 67.8 | Low | 102 Ų | 102 | 100.8 Ų | 100.8 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.2 | -34.6 | 176.6 | -78.7 | -179.7 | 0 | 0 | 0 | 113.4 | F68 | F68-L72 HydrophobicContact CD1-CD1 3.68Å; F68-L72 HydrophobicContact CD1-CG 4.33Å; F68-L72 HydrophobicContact CE1-CD1 3.13Å; F68-L72 HydrophobicContact CE1-CG 3.97Å; F68-L72 HydrophobicContact CE2-CD1 4.3Å; F68-L72 HydrophobicContact CE2-CG 4.32Å; F68-L72 HydrophobicContact CG-CD1 4.48Å; F68-L72 HydrophobicContact CZ-CD1 3.49Å; F68-L72 VanDerWaalsContact CZ-CD1 3.49Å; F68-L72 HydrophobicContact CZ-CD2 4.38Å; F68-L72 HydrophobicContact CZ-CG 3.94Å; F68-L72 WeakPolarHBondContact O-CB 3.13Å; F68-L72 PolarHBondContact O-N 3.33Å |
| 73 | L | 62 | Low | 67.6 | Low | 99 Ų | 99 | 104 Ų | 104 | 52% | 0.518 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -78.9 | -30 | 178.5 | -88.8 | 160.8 | 0 | 0 | 0 | 113.8 | C69 M70 | C69-L73 VanDerWaalsContact O-CB 3.22Å; C69-L73 WeakPolarHBondContact O-CB 3.48Å; C69-L73 PolarHBondContact O-N 2.76Å; M70-L73 PolarHBondContact O-N 2.84Å |
| 74 | F | 55.8 | Low | 67.2 | Low | 172 Ų | 172 | 103.6 Ų | 103.6 | 75% | 0.754 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -100.5 | -12.5 | 176.9 | -77.6 | -77.6 | 0 | 0 | 0 | 113.5 | M70 | M70-F74 WeakPolarHBondContact O-CB 3.36Å; M70-F74 WeakPolarHBondContact O-CD2 3.49Å; M70-F74 PolarHBondContact O-N 3.33Å |
| 75 | G | 55.8 | Low | 66.6 | Low | 71 Ų | 71 | 102.3 Ų | 102.3 | 73% | 0.732 | 56% | 0.556 | S | S | * | * | trans | -91.2 | -0.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I71 | I71-G75 WeakPolarHBondContact O-CA 3.25Å; I71-G75 PolarHBondContact O-N 3.19Å | ||
| 76 | S | 49.7 | Very low | 65.9 | Low | 151 Ų | 151 | 103.2 Ų | 103.2 | 100% | 1.056 | 57% | 0.57 | S | S | * | * | trans | -113 | 0 | 163.8 | 179.6 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 76 of 76 residues in 557.4 ms
(Link to these results)