| 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 | 73.3 | Confident | 170 Ų | 170 | 81 Ų | 81 | 84% | 0.837 | 40% | 0.401 | S | S | * | . | 0 | -62.3 | 0 | -155.9 | 154.4 | 81.4 | 0 | 0 | 114.6 | R3 A4 L5 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.38Å; M1-A4 PolarHBondContact O-N 3.1Å; M1-L5 PolarHBondContact O-N 3.01Å; M1-L5 VanDerWaalsContact O-N 3.12Å | |||
| 2 | I | 75.2 | Confident | 73.1 | Confident | 147 Ų | 147 | 80.9 Ų | 80.9 | 75% | 0.754 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.2 | -41.5 | -176.8 | -60.1 | 174.6 | 0 | 0 | 0 | 112.4 | A4 L5 A6 | I2-A4 PolarHBondContact O-N 3.29Å; I2-L5 PolarHBondContact O-N 2.79Å; I2-A6 PolarHBondContact O-N 2.97Å |
| 3 | R | 75.4 | Confident | 73.1 | Confident | 132 Ų | 132 | 79.9 Ų | 79.9 | 50% | 0.498 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 176.6 | -67.4 | -177 | -68.5 | 170.6 | 3.9 | 112.7 | M1 L5 A6 V7 D32 V37 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.38Å; R3-L5 VanDerWaalsContact C-N 3.34Å; R3-L5 PolarHBondContact O-N 3.07Å; R3-A6 PolarHBondContact O-N 3.04Å; R3-V7 WeakPolarHBondContact O-CG2 3.3Å; R3-V7 PolarHBondContact O-N 3.04Å; R3-D32 IonicContact CZ-OD1 3.25Å; R3-D32 VanDerWaalsContact CZ-OD1 3.25Å; R3-D32 IonicContact CZ-OD2 2.99Å; R3-D32 IonicContact NE-OD2 3.66Å; R3-D32 VanDerWaalsContact NH1-CG 3.25Å; R3-D32 IonicContact NH1-OD1 2.98Å; R3-D32 PolarHBondContact NH1-OD1 3.04Å; R3-D32 IonicContact NH1-OD2 3.84Å; R3-D32 PolarHBondContact NH1-OD2 2.77Å; R3-D32 IonicContact NH2-OD1 2.75Å; R3-D32 PolarHBondContact NH2-OD1 2.94Å; R3-D32 IonicContact NH2-OD2 3.39Å; R3-D32 PolarHBondContact NH2-OD2 3.17Å; R3-V37 HydrophobicContact CB-CG2 4.44Å |
| 4 | A | 71.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 I2 V7 R8 Y36 V37 T40 | M1-A4 PolarHBondContact O-N 3.1Å; I2-A4 PolarHBondContact O-N 3.29Å; A4-V7 PolarHBondContact O-N 2.68Å; A4-R8 WeakPolarHBondContact O-CG 3.19Å; A4-R8 PolarHBondContact O-N 2.98Å; A4-Y36 HydrophobicContact CB-CD1 3.67Å; A4-Y36 HydrophobicContact CB-CE1 3.59Å; A4-V37 HydrophobicContact CB-CG2 4.29Å; A4-T40 HydrophobicContact CB-CG2 3.99Å; A4-T40 WeakPolarHBondContact O-CG2 3.27Å |
| 5 | L | 75.1 | Confident | 72.9 | Confident | 108 Ų | 108 | 85.8 Ų | 85.8 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 175.4 | -174.4 | 63.8 | 0 | 0 | 0 | 111 | M1 I2 R3 V7 R8 T9 | M1-L5 PolarHBondContact O-N 3.01Å; M1-L5 VanDerWaalsContact O-N 3.12Å; I2-L5 PolarHBondContact O-N 2.79Å; R3-L5 VanDerWaalsContact C-N 3.34Å; R3-L5 PolarHBondContact O-N 3.07Å; L5-V7 VanDerWaalsContact C-N 3.32Å; L5-V7 PolarHBondContact O-N 3.23Å; L5-R8 PolarHBondContact O-N 3.13Å; L5-T9 WeakPolarHBondContact O-CB 3.27Å; L5-T9 PolarHBondContact O-N 3.14Å; L5-T9 PolarHBondContact O-OG1 3.39Å; L5-T9 VanDerWaalsContact O-OG1 3.05Å |
| 6 | A | 77.4 | Confident | 72.7 | Confident | 40 Ų | 40 | 87.1 Ų | 87.1 | 33% | 0.331 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I2 R3 R8 T9 M10 | I2-A6 PolarHBondContact O-N 2.97Å; R3-A6 PolarHBondContact O-N 3.04Å; A6-R8 PolarHBondContact O-N 3.06Å; A6-T9 PolarHBondContact O-N 2.77Å; A6-M10 WeakPolarHBondContact O-CB 3.41Å; A6-M10 VanDerWaalsContact O-CG 3.23Å; A6-M10 WeakPolarHBondContact O-CG 3.15Å; A6-M10 PolarHBondContact O-N 3.23Å |
| 7 | V | 75.9 | Confident | 72.5 | Confident | 5 Ų | 5 | 91.9 Ų | 91.9 | 3% | 0.03 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 176.3 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | R3 A4 L5 T9 M10 G11 L26 C29 T40 C44 | R3-V7 WeakPolarHBondContact O-CG2 3.3Å; R3-V7 PolarHBondContact O-N 3.04Å; A4-V7 PolarHBondContact O-N 2.68Å; L5-V7 VanDerWaalsContact C-N 3.32Å; L5-V7 PolarHBondContact O-N 3.23Å; V7-T9 VanDerWaalsContact C-N 3.34Å; V7-T9 PolarHBondContact O-N 3.44Å; V7-M10 PolarHBondContact O-N 2.87Å; V7-G11 PolarHBondContact O-N 2.98Å; V7-L26 HydrophobicContact CG1-CD1 4.07Å; V7-C29 HydrophobicContact CG2-CB 4.11Å; V7-C29 VanDerWaalsContact CG2-SG 3.51Å; V7-T40 HydrophobicContact CG1-CG2 4.44Å; V7-C44 HydrophobicContact CG1-CB 3.38Å; V7-C44 PolarHBondContact O-SG 3.24Å; V7-C44 VanDerWaalsContact O-SG 3.41Å |
| 8 | R | 75.3 | Confident | 72.5 | Confident | 128 Ų | 128 | 90.6 Ų | 90.6 | 48% | 0.483 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 176.4 | -74.7 | 174.9 | 62.8 | 175.4 | 0.6 | 112.6 | A4 L5 A6 C12 T40 | A4-R8 WeakPolarHBondContact O-CG 3.19Å; A4-R8 PolarHBondContact O-N 2.98Å; L5-R8 PolarHBondContact O-N 3.13Å; A6-R8 PolarHBondContact O-N 3.06Å; R8-C12 PolarHBondContact O-N 3.35Å; R8-C12 PolarHBondContact O-SG 3.26Å; R8-T40 HydrophobicContact CG-CG2 3.35Å |
| 9 | T | 77.8 | Confident | 72.5 | Confident | 77 Ų | 77 | 86 Ų | 86 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 179 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | L5 A6 V7 G11 C12 | L5-T9 WeakPolarHBondContact O-CB 3.27Å; L5-T9 PolarHBondContact O-N 3.14Å; L5-T9 PolarHBondContact O-OG1 3.39Å; L5-T9 VanDerWaalsContact O-OG1 3.05Å; A6-T9 PolarHBondContact O-N 2.77Å; V7-T9 VanDerWaalsContact C-N 3.34Å; V7-T9 PolarHBondContact O-N 3.44Å; T9-G11 PolarHBondContact O-N 3.08Å; T9-C12 PolarHBondContact O-N 3.34Å; T9-C12 VanDerWaalsContact O-N 3.11Å |
| 10 | M | 71 | Confident | 72.7 | Confident | 79 Ų | 79 | 88.4 Ų | 88.4 | 39% | 0.389 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 178.7 | -72.4 | 171.8 | 173.7 | 0 | 0 | 111.8 | A6 V7 C12 I13 L22 | A6-M10 WeakPolarHBondContact O-CB 3.41Å; A6-M10 VanDerWaalsContact O-CG 3.23Å; A6-M10 WeakPolarHBondContact O-CG 3.15Å; A6-M10 PolarHBondContact O-N 3.23Å; V7-M10 PolarHBondContact O-N 2.87Å; M10-C12 PolarHBondContact O-N 3.22Å; M10-I13 PolarHBondContact O-N 2.87Å; M10-L22 HydrophobicContact CB-CD1 3.53Å; M10-L22 HydrophobicContact CB-CD2 4.03Å; M10-L22 HydrophobicContact CB-CG 4.36Å; M10-L22 HydrophobicContact CG-CD1 4.16Å; M10-L22 HydrophobicContact SD-CD1 3.63Å |
| 11 | G | 67.7 | Low | 73.2 | Confident | 5 Ų | 5 | 92.8 Ų | 92.8 | 5% | 0.052 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | V7 T9 | V7-G11 PolarHBondContact O-N 2.98Å; T9-G11 PolarHBondContact O-N 3.08Å |
| 12 | C | 71.4 | Confident | 74.1 | Confident | 80 Ų | 80 | 85 Ų | 85 | 54% | 0.541 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -10.3 | 173.1 | -67.8 | 0 | 0 | 0 | 0 | 113 | R8 T9 M10 R14 K47 | R8-C12 PolarHBondContact O-N 3.35Å; R8-C12 PolarHBondContact O-SG 3.26Å; T9-C12 PolarHBondContact O-N 3.34Å; T9-C12 VanDerWaalsContact O-N 3.11Å; M10-C12 PolarHBondContact O-N 3.22Å; C12-R14 PolarHBondContact O-N 3.37Å; C12-K47 PolarHBondContact SG-NZ 3.21Å |
| 13 | I | 73.7 | Confident | 74.6 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 35% | 0.349 | 38% | 0.375 | S | S | . | . | trans | -87.2 | 99.2 | -179.6 | -60.1 | 170 | 0 | 0 | 0 | 108.1 | M10 V15 I18 | M10-I13 PolarHBondContact O-N 2.87Å; I13-V15 HydrophobicContact CG2-CB 4.11Å; I13-V15 HydrophobicContact CG2-CG2 3.76Å; I13-V15 PolarHBondContact O-N 3.17Å; I13-I18 HydrophobicContact CG2-CD1 3.7Å | ||
| 14 | R | 68.9 | Low | 75.1 | Confident | 179 Ų | 179 | 77 Ų | 77 | 68% | 0.675 | 38% | 0.378 | S | S | * | . | trans | -78.9 | 60.5 | 179 | -62.7 | -173.4 | 166 | 178.2 | -8 | 111.9 | C12 D50 I51 | C12-R14 PolarHBondContact O-N 3.37Å; R14-D50 IonicContact CZ-OD2 3.68Å; R14-D50 IonicContact NH2-OD2 2.76Å; R14-D50 PolarHBondContact NH2-OD2 3.44Å; R14-I51 HydrophobicContact CG-CD1 4.07Å; R14-I51 HydrophobicContact CG-CG1 4.07Å | ||
| 15 | V | 73.3 | Confident | 75.9 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 42% | 0.418 | 39% | 0.392 | S | S | . | . | trans | -122.9 | 112.9 | 175.2 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | I13 K17 I18 T19 | I13-V15 HydrophobicContact CG2-CB 4.11Å; I13-V15 HydrophobicContact CG2-CG2 3.76Å; I13-V15 PolarHBondContact O-N 3.17Å; V15-K17 HydrophobicContact CG1-CB 4.33Å; V15-K17 PolarHBondContact O-N 3.03Å; V15-K17 VanDerWaalsContact O-N 3.09Å; V15-I18 HydrophobicContact CB-CB 4.36Å; V15-I18 HydrophobicContact CB-CD1 3.96Å; V15-I18 HydrophobicContact CB-CG1 4.12Å; V15-I18 HydrophobicContact CG1-CD1 4.2Å; V15-I18 HydrophobicContact CG1-CG1 4.12Å; V15-I18 HydrophobicContact CG2-CD1 4.37Å; V15-I18 WeakPolarHBondContact O-CA 3.39Å; V15-I18 WeakPolarHBondContact O-CB 3.48Å; V15-I18 PolarHBondContact O-N 2.9Å; V15-T19 PolarHBondContact O-N 2.97Å | ||
| 16 | D | 69.6 | Low | 76.5 | Confident | 106 Ų | 106 | 74 Ų | 74 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -55.1 | -33.7 | -175.1 | -54 | -32.5 | 0 | 0 | 0 | 112.8 | I18 T19 | D16-I18 PolarHBondContact O-N 3.3Å; D16-T19 PolarHBondContact O-N 3.21Å; D16-T19 PolarHBondContact O-OG1 3.23Å |
| 17 | K | 69.8 | Low | 77.1 | Confident | 169 Ų | 169 | 76 Ų | 76 | 74% | 0.735 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.5 | -22.5 | 176.6 | -68.1 | -171.5 | 178 | -177.4 | 0 | 113.7 | V15 Y21 | V15-K17 HydrophobicContact CG1-CB 4.33Å; V15-K17 PolarHBondContact O-N 3.03Å; V15-K17 VanDerWaalsContact O-N 3.09Å; K17-Y21 WeakPolarHBondContact O-CD2 3.17Å; K17-Y21 VanDerWaalsContact O-CE2 3.24Å; K17-Y21 WeakPolarHBondContact O-CE2 3.31Å |
| 18 | I | 72.2 | Confident | 77.8 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 35% | 0.349 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -90.5 | -27 | -178.2 | -64.2 | 177.7 | 0 | 0 | 0 | 110.7 | I13 V15 D16 E20 Y21 L22 | I13-I18 HydrophobicContact CG2-CD1 3.7Å; V15-I18 HydrophobicContact CB-CB 4.36Å; V15-I18 HydrophobicContact CB-CD1 3.96Å; V15-I18 HydrophobicContact CB-CG1 4.12Å; V15-I18 HydrophobicContact CG1-CD1 4.2Å; V15-I18 HydrophobicContact CG1-CG1 4.12Å; V15-I18 HydrophobicContact CG2-CD1 4.37Å; V15-I18 WeakPolarHBondContact O-CA 3.39Å; V15-I18 WeakPolarHBondContact O-CB 3.48Å; V15-I18 PolarHBondContact O-N 2.9Å; D16-I18 PolarHBondContact O-N 3.3Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.5Å; I18-Y21 PolarHBondContact O-N 3.29Å; I18-Y21 VanDerWaalsContact O-N 3.17Å; I18-L22 PolarHBondContact O-N 3.16Å; I18-L22 VanDerWaalsContact O-N 3.1Å |
| 19 | T | 72.2 | Confident | 78.5 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 3% | 0.025 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -36.6 | -177.7 | 57 | 0 | 0 | 0 | 0 | 112.1 | V15 D16 Y21 L22 C23 L48 I51 | V15-T19 PolarHBondContact O-N 2.97Å; D16-T19 PolarHBondContact O-N 3.21Å; D16-T19 PolarHBondContact O-OG1 3.23Å; T19-Y21 PolarHBondContact O-N 3.18Å; T19-L22 WeakPolarHBondContact O-CB 3.38Å; T19-L22 PolarHBondContact O-N 2.82Å; T19-L22 VanDerWaalsContact O-N 3.11Å; T19-C23 PolarHBondContact O-N 3.02Å; T19-C23 PolarHBondContact O-SG 2.92Å; T19-L48 HydrophobicContact CG2-CD1 3.82Å; T19-I51 HydrophobicContact CG2-CD1 4.42Å; T19-I51 HydrophobicContact CG2-CG2 3.88Å |
| 20 | E | 78.1 | Confident | 79.1 | Confident | 133 Ų | 133 | 74.3 Ų | 74.3 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 173.7 | -67.5 | 179.7 | -166.5 | 0 | 0 | 112.4 | I18 L22 C23 | I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.5Å; E20-L22 PolarHBondContact O-N 3.43Å; E20-C23 PolarHBondContact O-N 2.86Å |
| 21 | Y | 81.5 | Confident | 80.1 | Confident | 182 Ų | 182 | 77.5 Ų | 77.5 | 71% | 0.714 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.9 | -18.1 | 176.5 | -64.1 | -80.6 | 0 | 0 | 0 | 113.2 | K17 I18 T19 P25 | K17-Y21 WeakPolarHBondContact O-CD2 3.17Å; K17-Y21 VanDerWaalsContact O-CE2 3.24Å; K17-Y21 WeakPolarHBondContact O-CE2 3.31Å; I18-Y21 PolarHBondContact O-N 3.29Å; I18-Y21 VanDerWaalsContact O-N 3.17Å; T19-Y21 PolarHBondContact O-N 3.18Å; Y21-P25 WeakPolarHBondContact O-CD 3.46Å; Y21-P25 WeakPolarHBondContact O-CG 3.45Å |
| 22 | L | 82.9 | Confident | 81.2 | Confident | 6 Ų | 6 | 77.9 Ų | 77.9 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -78.6 | -25.3 | 176.6 | -177.7 | 57.4 | 0 | 0 | 0 | 111.9 | M10 I18 T19 E20 D24 P25 L26 | M10-L22 HydrophobicContact CB-CD1 3.53Å; M10-L22 HydrophobicContact CB-CD2 4.03Å; M10-L22 HydrophobicContact CB-CG 4.36Å; M10-L22 HydrophobicContact CG-CD1 4.16Å; M10-L22 HydrophobicContact SD-CD1 3.63Å; I18-L22 PolarHBondContact O-N 3.16Å; I18-L22 VanDerWaalsContact O-N 3.1Å; T19-L22 WeakPolarHBondContact O-CB 3.38Å; T19-L22 PolarHBondContact O-N 2.82Å; T19-L22 VanDerWaalsContact O-N 3.11Å; E20-L22 PolarHBondContact O-N 3.43Å; L22-D24 PolarHBondContact O-N 3.32Å; L22-P25 HydrophobicContact CD1-CG 4.32Å; L22-P25 WeakPolarHBondContact O-CD 3.45Å; L22-P25 VanDerWaalsContact O-CG 3.28Å; L22-P25 WeakPolarHBondContact O-CG 3.42Å; L22-L26 HydrophobicContact CG-CB 4.44Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 PolarHBondContact O-N 3.41Å |
| 23 | C | 85.7 | Confident | 82.1 | Confident | 3 Ų | 3 | 82.9 Ų | 82.9 | 2% | 0.02 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | -174.6 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | T19 E20 L26 R27 Q59 F61 | T19-C23 PolarHBondContact O-N 3.02Å; T19-C23 PolarHBondContact O-SG 2.92Å; E20-C23 PolarHBondContact O-N 2.86Å; C23-L26 PolarHBondContact O-N 3.41Å; C23-R27 WeakPolarHBondContact O-CB 3.44Å; C23-R27 PolarHBondContact O-N 3.38Å; C23-Q59 HydrophobicContact CB-CG 4.34Å; C23-F61 HydrophobicContact CB-CE2 4.14Å; C23-F61 HydrophobicContact CB-CZ 4.01Å; C23-F61 WeakPolarHBondContact O-CZ 3.43Å |
| 24 | D | 86.8 | Confident | 82.9 | Confident | 107 Ų | 107 | 82.4 Ų | 82.4 | 57% | 0.572 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.7 | -52.8 | 179.6 | -77.7 | -18.1 | 0 | 0 | 0 | 114.2 | L22 L26 R27 K28 | L22-D24 PolarHBondContact O-N 3.32Å; D24-L26 VanDerWaalsContact C-N 3.3Å; D24-L26 PolarHBondContact O-N 3.06Å; D24-R27 PolarHBondContact O-N 3.39Å; D24-K28 PolarHBondContact O-N 2.86Å |
| 25 | P | 87.8 | Confident | 83.8 | Confident | 45 Ų | 45 | 75.8 Ų | 75.8 | 29% | 0.292 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 176.3 | 23.4 | -31.8 | 0 | 0 | 0 | 112 | Y21 L22 K28 C29 | Y21-P25 WeakPolarHBondContact O-CD 3.46Å; Y21-P25 WeakPolarHBondContact O-CG 3.45Å; L22-P25 HydrophobicContact CD1-CG 4.32Å; L22-P25 WeakPolarHBondContact O-CD 3.45Å; L22-P25 VanDerWaalsContact O-CG 3.28Å; L22-P25 WeakPolarHBondContact O-CG 3.42Å; P25-K28 PolarHBondContact O-N 3.23Å; P25-C29 PolarHBondContact O-N 3.32Å; P25-C29 PolarHBondContact O-SG 3.27Å |
| 26 | L | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 176.6 | -176.3 | 60.7 | 0 | 0 | 0 | 111.4 | V7 L22 C23 D24 K28 C29 L30 A41 C44 V45 L48 F61 | V7-L26 HydrophobicContact CG1-CD1 4.07Å; L22-L26 HydrophobicContact CG-CB 4.44Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 PolarHBondContact O-N 3.41Å; C23-L26 PolarHBondContact O-N 3.41Å; D24-L26 VanDerWaalsContact C-N 3.3Å; D24-L26 PolarHBondContact O-N 3.06Å; L26-K28 VanDerWaalsContact C-N 3.27Å; L26-K28 PolarHBondContact O-N 3.2Å; L26-C29 CarbonylContact O-C 3.59Å; L26-C29 WeakPolarHBondContact O-CA 3.44Å; L26-C29 PolarHBondContact O-N 3Å; L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 3.31Å; L26-A41 HydrophobicContact CD1-CB 3.94Å; L26-C44 HydrophobicContact CD1-CB 3.85Å; L26-V45 HydrophobicContact CD1-CG2 4.44Å; L26-V45 HydrophobicContact CD2-CG2 3.93Å; L26-V45 HydrophobicContact CG-CG2 4.34Å; L26-L48 HydrophobicContact CD2-CD2 3.82Å; L26-F61 HydrophobicContact CB-CE1 4.3Å; L26-F61 HydrophobicContact CB-CZ 4.29Å; L26-F61 HydrophobicContact CD2-CD1 4.46Å; L26-F61 HydrophobicContact CD2-CE1 4.03Å; L26-F61 HydrophobicContact CD2-CE2 4.37Å; L26-F61 HydrophobicContact CD2-CZ 3.99Å; L26-F61 HydrophobicContact CG-CE1 4.01Å; L26-F61 HydrophobicContact CG-CZ 4.28Å |
| 27 | R | 89.8 | Confident | 85.5 | Confident | 82 Ų | 82 | 72.1 Ų | 72.1 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 175.6 | -168.7 | -177.4 | -61.3 | -93.7 | 3.1 | 112.1 | C23 D24 Q59 F61 | C23-R27 WeakPolarHBondContact O-CB 3.44Å; C23-R27 PolarHBondContact O-N 3.38Å; D24-R27 PolarHBondContact O-N 3.39Å; R27-Q59 PolarHBondContact NH1-O 3.49Å; R27-Q59 PolarHBondContact NH2-O 2.88Å; R27-F61 HydrophobicContact CB-CE1 4.16Å |
| 28 | K | 90.4 | Very high | 86.5 | Confident | 161 Ų | 161 | 65.5 Ų | 65.5 | 70% | 0.7 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 173.3 | -69.6 | 175.7 | -177.8 | 173.7 | 0 | 111.9 | D24 P25 L26 K31 D32 | D24-K28 PolarHBondContact O-N 2.86Å; P25-K28 PolarHBondContact O-N 3.23Å; L26-K28 VanDerWaalsContact C-N 3.27Å; L26-K28 PolarHBondContact O-N 3.2Å; K28-K31 CarbonylContact O-C 3.48Å; K28-K31 PolarHBondContact O-N 3.26Å; K28-D32 PolarHBondContact O-N 3.13Å |
| 29 | C | 90.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 64 Ų | 64 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.6 | -29.5 | 179.5 | -66.7 | 0 | 0 | 0 | 0 | 113.2 | V7 P25 L26 K31 D32 V37 A41 | V7-C29 HydrophobicContact CG2-CB 4.11Å; V7-C29 VanDerWaalsContact CG2-SG 3.51Å; P25-C29 PolarHBondContact O-N 3.32Å; P25-C29 PolarHBondContact O-SG 3.27Å; L26-C29 CarbonylContact O-C 3.59Å; L26-C29 WeakPolarHBondContact O-CA 3.44Å; L26-C29 PolarHBondContact O-N 3Å; C29-K31 PolarHBondContact O-N 2.76Å; C29-D32 WeakPolarHBondContact O-CB 3.47Å; C29-D32 PolarHBondContact O-N 3.3Å; C29-V37 HydrophobicContact CB-CG1 3.72Å; C29-A41 HydrophobicContact CB-CB 3.78Å |
| 30 | L | 90.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.7 | -27.4 | 173.4 | -71.4 | 166 | 0 | 0 | 0 | 112 | L26 R38 A41 V45 F61 Q64 L68 | L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 3.31Å; L30-R38 VanDerWaalsContact O-CD 3.32Å; L30-R38 WeakPolarHBondContact O-CD 3.41Å; L30-A41 HydrophobicContact CD2-CB 3.66Å; L30-A41 HydrophobicContact CG-CB 3.89Å; L30-V45 HydrophobicContact CD1-CG2 3.99Å; L30-V45 HydrophobicContact CD2-CG2 4.14Å; L30-F61 HydrophobicContact CD1-CD1 3.5Å; L30-F61 VanDerWaalsContact CD1-CD1 3.5Å; L30-F61 HydrophobicContact CD1-CE1 3.83Å; L30-Q64 HydrophobicContact CD1-CB 4.09Å; L30-L68 HydrophobicContact CD2-CD1 3.56Å |
| 31 | K | 90.3 | Very high | 88.8 | Confident | 145 Ų | 145 | 57.9 Ų | 57.9 | 63% | 0.63 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 17.9 | 177.4 | -60.6 | -174 | 177.8 | -171.3 | 0 | 113.3 | K28 C29 | K28-K31 CarbonylContact O-C 3.48Å; K28-K31 PolarHBondContact O-N 3.26Å; C29-K31 PolarHBondContact O-N 2.76Å |
| 32 | D | 91.5 | Very high | 89.3 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | trans | -66.4 | 153.1 | -178.7 | -150.3 | -72.2 | 0 | 0 | 0 | 111.5 | R3 K28 C29 D34 V37 R38 | R3-D32 IonicContact CZ-OD1 3.25Å; R3-D32 VanDerWaalsContact CZ-OD1 3.25Å; R3-D32 IonicContact CZ-OD2 2.99Å; R3-D32 IonicContact NE-OD2 3.66Å; R3-D32 VanDerWaalsContact NH1-CG 3.25Å; R3-D32 IonicContact NH1-OD1 2.98Å; R3-D32 PolarHBondContact NH1-OD1 3.04Å; R3-D32 IonicContact NH1-OD2 3.84Å; R3-D32 PolarHBondContact NH1-OD2 2.77Å; R3-D32 IonicContact NH2-OD1 2.75Å; R3-D32 PolarHBondContact NH2-OD1 2.94Å; R3-D32 IonicContact NH2-OD2 3.39Å; R3-D32 PolarHBondContact NH2-OD2 3.17Å; K28-D32 PolarHBondContact O-N 3.13Å; C29-D32 WeakPolarHBondContact O-CB 3.47Å; C29-D32 PolarHBondContact O-N 3.3Å; D32-D34 VanDerWaalsContact C-N 3.31Å; D32-D34 PolarHBondContact OD1-N 3.48Å; D32-V37 HydrophobicContact CB-CB 3.84Å; D32-V37 HydrophobicContact CB-CG1 3.72Å; D32-V37 WeakPolarHBondContact OD2-CG1 3.35Å; D32-R38 HydrophobicContact CB-CG 4.17Å; D32-R38 WeakPolarHBondContact O-CD 3.44Å; D32-R38 WeakPolarHBondContact O-CG 3.42Å; D32-R38 PolarHBondContact O-NH1 3.13Å | ||
| 33 | E | 90.3 | Very high | 89.6 | Confident | 185 Ų | 185 | 51.6 Ų | 51.6 | 86% | 0.864 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -69.3 | -33.1 | 175.1 | -64.7 | -178.7 | 167.6 | 0 | 0 | 111.7 | P35 R38 | E33-P35 WeakPolarHBondContact O-CD 3.3Å; E33-R38 PolarHBondContact O-NH1 2.84Å |
| 34 | D | 89.5 | Confident | 89.8 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -80.4 | 116.6 | -176.9 | -177.3 | -8.9 | 0 | 0 | 0 | 111.3 | D32 Y36 V37 R38 | D32-D34 VanDerWaalsContact C-N 3.31Å; D32-D34 PolarHBondContact OD1-N 3.48Å; D34-Y36 PolarHBondContact O-N 3.14Å; D34-Y36 VanDerWaalsContact O-N 3.15Å; D34-Y36 VanDerWaalsContact OD1-CB 3.24Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.3Å; D34-Y36 PolarHBondContact OD1-N 3.47Å; D34-V37 HydrophobicContact CB-CB 4.28Å; D34-V37 HydrophobicContact CB-CG2 3.88Å; D34-V37 WeakPolarHBondContact O-CB 3.46Å; D34-V37 PolarHBondContact O-N 2.98Å; D34-R38 PolarHBondContact O-N 3.31Å; D34-R38 VanDerWaalsContact O-N 3.12Å |
| 35 | P | 89.3 | Confident | 90 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 26% | 0.26 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.4 | -29.8 | 177.4 | -23.5 | 33.9 | 0 | 0 | 0 | 113.4 | E33 V37 R38 K39 N73 V76 | E33-P35 WeakPolarHBondContact O-CD 3.3Å; P35-V37 VanDerWaalsContact C-N 3.3Å; P35-V37 PolarHBondContact O-N 3.42Å; P35-R38 PolarHBondContact O-N 2.85Å; P35-K39 PolarHBondContact O-N 2.83Å; P35-N73 HydrophobicContact CB-CB 4.07Å; P35-N73 HydrophobicContact CG-CB 4.32Å; P35-V76 HydrophobicContact CB-CG2 3.84Å; P35-V76 WeakPolarHBondContact O-CG2 3.32Å |
| 36 | Y | 87.5 | Confident | 90.1 | Very high | 97 Ų | 97 | 44.6 Ų | 44.6 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.2 | -35.1 | 176.4 | -172.2 | -88 | 0 | 0 | 0 | 111.6 | A4 D34 K39 T40 | A4-Y36 HydrophobicContact CB-CD1 3.67Å; A4-Y36 HydrophobicContact CB-CE1 3.59Å; D34-Y36 PolarHBondContact O-N 3.14Å; D34-Y36 VanDerWaalsContact O-N 3.15Å; D34-Y36 VanDerWaalsContact OD1-CB 3.24Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.3Å; D34-Y36 PolarHBondContact OD1-N 3.47Å; Y36-K39 WeakPolarHBondContact O-CG 3.41Å; Y36-T40 VanDerWaalsContact O-CB 3.32Å; Y36-T40 WeakPolarHBondContact O-CB 3.19Å; Y36-T40 PolarHBondContact O-N 2.72Å; Y36-T40 PolarHBondContact O-OG1 3.37Å |
| 37 | V | 90.4 | Very high | 90 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.6 | -44.9 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | R3 A4 C29 D32 D34 P35 K39 T40 A41 | R3-V37 HydrophobicContact CB-CG2 4.44Å; A4-V37 HydrophobicContact CB-CG2 4.29Å; C29-V37 HydrophobicContact CB-CG1 3.72Å; D32-V37 HydrophobicContact CB-CB 3.84Å; D32-V37 HydrophobicContact CB-CG1 3.72Å; D32-V37 WeakPolarHBondContact OD2-CG1 3.35Å; D34-V37 HydrophobicContact CB-CB 4.28Å; D34-V37 HydrophobicContact CB-CG2 3.88Å; D34-V37 WeakPolarHBondContact O-CB 3.46Å; D34-V37 PolarHBondContact O-N 2.98Å; P35-V37 VanDerWaalsContact C-N 3.3Å; P35-V37 PolarHBondContact O-N 3.42Å; V37-K39 PolarHBondContact O-N 3.24Å; V37-T40 PolarHBondContact O-N 2.69Å; V37-A41 WeakPolarHBondContact O-CB 3.39Å; V37-A41 PolarHBondContact O-N 2.79Å |
| 38 | R | 92.1 | Very high | 89.9 | Confident | 30 Ų | 30 | 44 Ų | 44 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 178.9 | -64 | -159.2 | -63.6 | -93.9 | 6.4 | 112.9 | L30 D32 E33 D34 P35 T40 A41 A42 L68 D71 V76 | L30-R38 VanDerWaalsContact O-CD 3.32Å; L30-R38 WeakPolarHBondContact O-CD 3.41Å; D32-R38 HydrophobicContact CB-CG 4.17Å; D32-R38 WeakPolarHBondContact O-CD 3.44Å; D32-R38 WeakPolarHBondContact O-CG 3.42Å; D32-R38 PolarHBondContact O-NH1 3.13Å; E33-R38 PolarHBondContact O-NH1 2.84Å; D34-R38 PolarHBondContact O-N 3.31Å; D34-R38 VanDerWaalsContact O-N 3.12Å; P35-R38 PolarHBondContact O-N 2.85Å; R38-T40 VanDerWaalsContact C-N 3.27Å; R38-T40 PolarHBondContact O-N 3.01Å; R38-A41 WeakPolarHBondContact O-CB 3.41Å; R38-A41 PolarHBondContact O-N 3.12Å; R38-A42 PolarHBondContact O-N 3.43Å; R38-L68 HydrophobicContact CB-CD2 4.49Å; R38-D71 IonicContact CZ-OD1 3.2Å; R38-D71 IonicContact CZ-OD2 2.87Å; R38-D71 IonicContact NE-OD2 2.59Å; R38-D71 PolarHBondContact NE-OD2 3.31Å; R38-D71 VanDerWaalsContact NH2-CG 3.34Å; R38-D71 IonicContact NH2-OD1 2.69Å; R38-D71 PolarHBondContact NH2-OD1 3.35Å; R38-D71 IonicContact NH2-OD2 3.18Å; R38-D71 PolarHBondContact NH2-OD2 3.3Å; R38-V76 HydrophobicContact CB-CG1 4.01Å; R38-V76 HydrophobicContact CB-CG2 4.07Å |
| 39 | K | 89 | Confident | 89.9 | Confident | 36 Ų | 36 | 37 Ų | 37 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -37.4 | 176.6 | 76.6 | 179.5 | -174.2 | 178.5 | 0 | 112.1 | P35 Y36 V37 A42 V43 V76 N79 | P35-K39 PolarHBondContact O-N 2.83Å; Y36-K39 WeakPolarHBondContact O-CG 3.41Å; V37-K39 PolarHBondContact O-N 3.24Å; K39-A42 WeakPolarHBondContact O-CB 3.06Å; K39-A42 PolarHBondContact O-N 3.29Å; K39-V43 PolarHBondContact O-N 3.3Å; K39-V76 HydrophobicContact CB-CG2 4.31Å; K39-N79 HydrophobicContact CB-CB 4.05Å |
| 40 | T | 89.3 | Confident | 89.7 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.9 | -36.5 | 179.7 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | A4 V7 R8 Y36 V37 R38 V43 C44 | A4-T40 HydrophobicContact CB-CG2 3.99Å; A4-T40 WeakPolarHBondContact O-CG2 3.27Å; V7-T40 HydrophobicContact CG1-CG2 4.44Å; R8-T40 HydrophobicContact CG-CG2 3.35Å; Y36-T40 VanDerWaalsContact O-CB 3.32Å; Y36-T40 WeakPolarHBondContact O-CB 3.19Å; Y36-T40 PolarHBondContact O-N 2.72Å; Y36-T40 PolarHBondContact O-OG1 3.37Å; V37-T40 PolarHBondContact O-N 2.69Å; R38-T40 VanDerWaalsContact C-N 3.27Å; R38-T40 PolarHBondContact O-N 3.01Å; T40-V43 PolarHBondContact O-N 3.11Å; T40-C44 PolarHBondContact O-N 3.28Å |
| 41 | A | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L26 C29 L30 V37 R38 V43 C44 V45 | L26-A41 HydrophobicContact CD1-CB 3.94Å; C29-A41 HydrophobicContact CB-CB 3.78Å; L30-A41 HydrophobicContact CD2-CB 3.66Å; L30-A41 HydrophobicContact CG-CB 3.89Å; V37-A41 WeakPolarHBondContact O-CB 3.39Å; V37-A41 PolarHBondContact O-N 2.79Å; R38-A41 WeakPolarHBondContact O-CB 3.41Å; R38-A41 PolarHBondContact O-N 3.12Å; A41-V43 PolarHBondContact O-N 3.21Å; A41-C44 WeakPolarHBondContact O-CA 3.32Å; A41-C44 WeakPolarHBondContact O-CB 3.3Å; A41-C44 PolarHBondContact O-N 3.41Å; A41-V45 WeakPolarHBondContact O-CG2 3.4Å; A41-V45 PolarHBondContact O-N 2.89Å |
| 42 | A | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R38 K39 C44 V45 V46 L65 L68 | R38-A42 PolarHBondContact O-N 3.43Å; K39-A42 WeakPolarHBondContact O-CB 3.06Å; K39-A42 PolarHBondContact O-N 3.29Å; A42-C44 VanDerWaalsContact C-N 3.26Å; A42-C44 PolarHBondContact O-N 2.85Å; A42-V45 WeakPolarHBondContact O-CB 3.35Å; A42-V45 PolarHBondContact O-N 2.9Å; A42-V45 VanDerWaalsContact O-N 3.12Å; A42-V46 PolarHBondContact O-N 3.47Å; A42-L65 HydrophobicContact CB-CD2 3.78Å; A42-L68 HydrophobicContact CB-CD1 4.19Å |
| 43 | V | 89.2 | Confident | 89.1 | Confident | 56 Ų | 56 | 38.5 Ų | 38.5 | 34% | 0.339 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.4 | -33.7 | 175 | 176.3 | 0 | 0 | 0 | 0 | 112 | K39 T40 A41 V45 V46 K47 N79 | K39-V43 PolarHBondContact O-N 3.3Å; T40-V43 PolarHBondContact O-N 3.11Å; A41-V43 PolarHBondContact O-N 3.21Å; V43-V45 VanDerWaalsContact C-N 3.34Å; V43-V46 WeakPolarHBondContact O-CB 3.43Å; V43-V46 PolarHBondContact O-N 3.01Å; V43-K47 PolarHBondContact O-N 3.2Å; V43-N79 WeakPolarHBondContact CG2-OD1 3.12Å |
| 44 | C | 89 | Confident | 88.9 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.6 | -30.6 | 176.5 | -168.5 | 0 | 0 | 0 | 0 | 112.9 | V7 L26 T40 A41 A42 V46 K47 L48 | V7-C44 HydrophobicContact CG1-CB 3.38Å; V7-C44 PolarHBondContact O-SG 3.24Å; V7-C44 VanDerWaalsContact O-SG 3.41Å; L26-C44 HydrophobicContact CD1-CB 3.85Å; T40-C44 PolarHBondContact O-N 3.28Å; A41-C44 WeakPolarHBondContact O-CA 3.32Å; A41-C44 WeakPolarHBondContact O-CB 3.3Å; A41-C44 PolarHBondContact O-N 3.41Å; A42-C44 VanDerWaalsContact C-N 3.26Å; A42-C44 PolarHBondContact O-N 2.85Å; C44-V46 VanDerWaalsContact C-N 3.31Å; C44-K47 PolarHBondContact O-N 2.94Å; C44-L48 WeakPolarHBondContact O-CB 3.27Å; C44-L48 PolarHBondContact O-N 3.35Å |
| 45 | V | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | L26 L30 A41 A42 V43 K47 L48 Y49 V56 F61 L65 I87 | L26-V45 HydrophobicContact CD1-CG2 4.44Å; L26-V45 HydrophobicContact CD2-CG2 3.93Å; L26-V45 HydrophobicContact CG-CG2 4.34Å; L30-V45 HydrophobicContact CD1-CG2 3.99Å; L30-V45 HydrophobicContact CD2-CG2 4.14Å; A41-V45 WeakPolarHBondContact O-CG2 3.4Å; A41-V45 PolarHBondContact O-N 2.89Å; A42-V45 WeakPolarHBondContact O-CB 3.35Å; A42-V45 PolarHBondContact O-N 2.9Å; A42-V45 VanDerWaalsContact O-N 3.12Å; V43-V45 VanDerWaalsContact C-N 3.34Å; V45-K47 PolarHBondContact O-N 3.38Å; V45-L48 WeakPolarHBondContact O-CB 3.18Å; V45-L48 PolarHBondContact O-N 3.34Å; V45-Y49 PolarHBondContact O-N 3.45Å; V45-V56 HydrophobicContact CG1-CG1 3.91Å; V45-F61 HydrophobicContact CG1-CB 3.86Å; V45-F61 HydrophobicContact CG2-CB 4.41Å; V45-F61 HydrophobicContact CG2-CD1 4.36Å; V45-F61 HydrophobicContact CG2-CG 4.48Å; V45-L65 HydrophobicContact CB-CD1 4.1Å; V45-L65 HydrophobicContact CB-CD2 4.34Å; V45-L65 HydrophobicContact CB-CG 4.38Å; V45-L65 HydrophobicContact CG1-CD1 3.57Å; V45-L65 HydrophobicContact CG1-CG 4.11Å; V45-L65 HydrophobicContact CG2-CD2 4.42Å; V45-I87 HydrophobicContact CG1-CD1 4.2Å |
| 46 | V | 90.3 | Very high | 88.8 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -49.2 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | A42 V43 C44 L48 Y49 D50 A83 E86 I87 M90 | A42-V46 PolarHBondContact O-N 3.47Å; V43-V46 WeakPolarHBondContact O-CB 3.43Å; V43-V46 PolarHBondContact O-N 3.01Å; C44-V46 VanDerWaalsContact C-N 3.31Å; V46-L48 VanDerWaalsContact C-N 3.26Å; V46-L48 PolarHBondContact O-N 2.91Å; V46-Y49 WeakPolarHBondContact O-CA 3.24Å; V46-Y49 WeakPolarHBondContact O-CB 3.33Å; V46-Y49 PolarHBondContact O-N 3.48Å; V46-Y49 VanDerWaalsContact O-N 3.07Å; V46-D50 PolarHBondContact O-N 2.84Å; V46-A83 HydrophobicContact CG2-CB 3.23Å; V46-E86 HydrophobicContact CG1-CB 4.08Å; V46-E86 VanDerWaalsContact CG1-CD 3.4Å; V46-E86 HydrophobicContact CG1-CG 3.82Å; V46-I87 HydrophobicContact CG2-CD1 4.4Å; V46-I87 HydrophobicContact CG2-CG1 4.45Å; V46-M90 HydrophobicContact CG1-CE 3.67Å |
| 47 | K | 86.8 | Confident | 88.8 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 30% | 0.3 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.8 | -35.6 | 177.9 | -64.6 | -177 | 177.3 | -169.3 | 0 | 112.4 | C12 V43 C44 V45 Y49 D50 I51 | C12-K47 PolarHBondContact SG-NZ 3.21Å; V43-K47 PolarHBondContact O-N 3.2Å; C44-K47 PolarHBondContact O-N 2.94Å; V45-K47 PolarHBondContact O-N 3.38Å; K47-Y49 VanDerWaalsContact C-N 3.32Å; K47-D50 PolarHBondContact O-N 3.12Å; K47-I51 WeakPolarHBondContact O-CG1 3.34Å; K47-I51 PolarHBondContact O-N 3.33Å |
| 48 | L | 87.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | 175.2 | -171.7 | 62 | 0 | 0 | 0 | 110.8 | T19 L26 C44 V45 V46 I51 N52 L55 V56 F61 | T19-L48 HydrophobicContact CG2-CD1 3.82Å; L26-L48 HydrophobicContact CD2-CD2 3.82Å; C44-L48 WeakPolarHBondContact O-CB 3.27Å; C44-L48 PolarHBondContact O-N 3.35Å; V45-L48 WeakPolarHBondContact O-CB 3.18Å; V45-L48 PolarHBondContact O-N 3.34Å; V46-L48 VanDerWaalsContact C-N 3.26Å; V46-L48 PolarHBondContact O-N 2.91Å; L48-I51 PolarHBondContact O-N 2.85Å; L48-N52 CarbonylContact O-C 3.57Å; L48-N52 PolarHBondContact O-N 3.13Å; L48-L55 HydrophobicContact CD1-CD2 4.3Å; L48-V56 HydrophobicContact CB-CG2 3.95Å; L48-V56 HydrophobicContact CD2-CG2 3.93Å; L48-V56 HydrophobicContact CG-CG2 3.64Å; L48-F61 HydrophobicContact CD2-CD2 4.2Å; L48-F61 HydrophobicContact CD2-CE2 3.93Å |
| 49 | Y | 89.5 | Confident | 88.6 | Confident | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 175.9 | -165.4 | -91 | 0 | 0 | 0 | 111.8 | V45 V46 K47 I51 A53 V56 E57 I87 M90 S91 L95 | V45-Y49 PolarHBondContact O-N 3.45Å; V46-Y49 WeakPolarHBondContact O-CA 3.24Å; V46-Y49 WeakPolarHBondContact O-CB 3.33Å; V46-Y49 PolarHBondContact O-N 3.48Å; V46-Y49 VanDerWaalsContact O-N 3.07Å; K47-Y49 VanDerWaalsContact C-N 3.32Å; Y49-I51 PolarHBondContact O-N 3.46Å; Y49-A53 HydrophobicContact CD1-CB 4.28Å; Y49-A53 HydrophobicContact CD2-CB 4.01Å; Y49-A53 HydrophobicContact CE1-CB 3.95Å; Y49-A53 HydrophobicContact CE2-CB 3.63Å; Y49-A53 HydrophobicContact CG-CB 4.32Å; Y49-A53 PolarHBondContact O-N 3.44Å; Y49-V56 HydrophobicContact CD2-CB 3.85Å; Y49-V56 HydrophobicContact CD2-CG1 3.85Å; Y49-V56 HydrophobicContact CD2-CG2 4.29Å; Y49-E57 HydrophobicContact CE2-CG 4.45Å; Y49-E57 PolarHBondContact OH-OE1 2.75Å; Y49-I87 HydrophobicContact CD1-CG1 4.27Å; Y49-I87 HydrophobicContact CD1-CG2 4.11Å; Y49-I87 HydrophobicContact CD2-CG1 4.49Å; Y49-I87 HydrophobicContact CD2-CG2 3.97Å; Y49-I87 HydrophobicContact CE1-CG2 4.03Å; Y49-I87 HydrophobicContact CE2-CG2 3.92Å; Y49-I87 HydrophobicContact CG-CG1 4.01Å; Y49-I87 HydrophobicContact CG-CG2 4.08Å; Y49-M90 HydrophobicContact CD1-CB 4.09Å; Y49-M90 HydrophobicContact CD1-CE 3.87Å; Y49-M90 HydrophobicContact CD1-SD 4.4Å; Y49-M90 HydrophobicContact CE1-CB 3.94Å; Y49-S91 VanDerWaalsContact OH-CB 3.32Å; Y49-S91 WeakPolarHBondContact OH-CB 3.2Å; Y49-S91 PolarHBondContact OH-OG 2.98Å; Y49-S91 VanDerWaalsContact OH-OG 3.13Å; Y49-L95 HydrophobicContact CE2-CD1 3.99Å; Y49-L95 WeakPolarHBondContact OH-CD1 3.32Å |
| 50 | D | 87.3 | Confident | 88.7 | Confident | 87 Ų | 87 | 40.2 Ų | 40.2 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.9 | -32.2 | 173.7 | 179.1 | 53 | 0 | 0 | 0 | 112.6 | R14 V46 K47 M90 | R14-D50 IonicContact CZ-OD2 3.68Å; R14-D50 IonicContact NH2-OD2 2.76Å; R14-D50 PolarHBondContact NH2-OD2 3.44Å; V46-D50 PolarHBondContact O-N 2.84Å; K47-D50 PolarHBondContact O-N 3.12Å; D50-M90 HydrophobicContact CB-SD 4.17Å |
| 51 | I | 85.2 | Confident | 88.8 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 20% | 0.195 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -84.2 | -49.9 | 178.3 | -60.7 | 164.4 | 0 | 0 | 0 | 111.1 | R14 T19 K47 L48 Y49 | R14-I51 HydrophobicContact CG-CD1 4.07Å; R14-I51 HydrophobicContact CG-CG1 4.07Å; T19-I51 HydrophobicContact CG2-CD1 4.42Å; T19-I51 HydrophobicContact CG2-CG2 3.88Å; K47-I51 WeakPolarHBondContact O-CG1 3.34Å; K47-I51 PolarHBondContact O-N 3.33Å; L48-I51 PolarHBondContact O-N 2.85Å; Y49-I51 PolarHBondContact O-N 3.46Å |
| 52 | N | 85.5 | Confident | 88.7 | Confident | 50 Ų | 50 | 40.6 Ų | 40.6 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | trans | -149.8 | 93.9 | -176.1 | -171.9 | -21.3 | 0 | 0 | 0 | 110.8 | L48 E54 L55 V56 | L48-N52 CarbonylContact O-C 3.57Å; L48-N52 PolarHBondContact O-N 3.13Å; N52-E54 PolarHBondContact OD1-N 3.05Å; N52-L55 HydrophobicContact CB-CB 4.03Å; N52-L55 PolarHBondContact O-N 3.37Å; N52-L55 PolarHBondContact OD1-N 2.9Å; N52-V56 PolarHBondContact O-N 3.3Å | ||
| 53 | A | 87.4 | Confident | 88.6 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 26% | 0.256 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y49 L55 V56 E57 | Y49-A53 HydrophobicContact CD1-CB 4.28Å; Y49-A53 HydrophobicContact CD2-CB 4.01Å; Y49-A53 HydrophobicContact CE1-CB 3.95Å; Y49-A53 HydrophobicContact CE2-CB 3.63Å; Y49-A53 HydrophobicContact CG-CB 4.32Å; Y49-A53 PolarHBondContact O-N 3.44Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-L55 PolarHBondContact O-N 3.49Å; A53-V56 PolarHBondContact O-N 2.89Å; A53-V56 VanDerWaalsContact O-N 3.11Å; A53-E57 PolarHBondContact O-N 3.33Å; A53-E57 VanDerWaalsContact O-N 3.1Å |
| 54 | E | 87.4 | Confident | 88.7 | Confident | 148 Ų | 148 | 43.2 Ų | 43.2 | 69% | 0.692 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.2 | -43.9 | -179.3 | -64 | -177.5 | 171.8 | 0 | 0 | 111.1 | N52 V56 E57 D58 | N52-E54 PolarHBondContact OD1-N 3.05Å; E54-V56 VanDerWaalsContact C-N 3.29Å; E54-V56 PolarHBondContact O-N 3.1Å; E54-E57 PolarHBondContact O-N 3.43Å; E54-D58 WeakPolarHBondContact O-CB 3.4Å; E54-D58 PolarHBondContact O-N 3.13Å |
| 55 | L | 87.3 | Confident | 88.8 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -37.5 | 177 | -177 | 68.4 | 0 | 0 | 0 | 112.2 | L48 N52 A53 Q59 | L48-L55 HydrophobicContact CD1-CD2 4.3Å; N52-L55 HydrophobicContact CB-CB 4.03Å; N52-L55 PolarHBondContact O-N 3.37Å; N52-L55 PolarHBondContact OD1-N 2.9Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-L55 PolarHBondContact O-N 3.49Å; L55-Q59 HydrophobicContact CD1-CG 4.05Å; L55-Q59 HydrophobicContact CG-CG 4.36Å; L55-Q59 VanDerWaalsContact O-CB 3.24Å; L55-Q59 WeakPolarHBondContact O-CB 3.32Å; L55-Q59 WeakPolarHBondContact O-CG 3.47Å; L55-Q59 PolarHBondContact O-N 3.41Å |
| 56 | V | 88 | Confident | 88.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -39 | -179.9 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | V45 L48 Y49 N52 A53 E54 G60 F61 L62 | V45-V56 HydrophobicContact CG1-CG1 3.91Å; L48-V56 HydrophobicContact CB-CG2 3.95Å; L48-V56 HydrophobicContact CD2-CG2 3.93Å; L48-V56 HydrophobicContact CG-CG2 3.64Å; Y49-V56 HydrophobicContact CD2-CB 3.85Å; Y49-V56 HydrophobicContact CD2-CG1 3.85Å; Y49-V56 HydrophobicContact CD2-CG2 4.29Å; N52-V56 PolarHBondContact O-N 3.3Å; A53-V56 PolarHBondContact O-N 2.89Å; A53-V56 VanDerWaalsContact O-N 3.11Å; E54-V56 VanDerWaalsContact C-N 3.29Å; E54-V56 PolarHBondContact O-N 3.1Å; V56-G60 PolarHBondContact O-N 3.02Å; V56-F61 HydrophobicContact CG1-CB 3.78Å; V56-F61 HydrophobicContact CG1-CD2 4.45Å; V56-F61 PolarHBondContact O-N 2.95Å; V56-F61 VanDerWaalsContact O-N 3.13Å; V56-L62 HydrophobicContact CG1-CD2 4.22Å; V56-L62 HydrophobicContact CG1-CG 4.42Å |
| 57 | E | 87.7 | Confident | 88.7 | Confident | 90 Ų | 90 | 51.8 Ų | 51.8 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.1 | -49.8 | 175.7 | -70.2 | -178.7 | -159.9 | 0 | 0 | 111.1 | Y49 A53 E54 Q59 G60 L62 | Y49-E57 HydrophobicContact CE2-CG 4.45Å; Y49-E57 PolarHBondContact OH-OE1 2.75Å; A53-E57 PolarHBondContact O-N 3.33Å; A53-E57 VanDerWaalsContact O-N 3.1Å; E54-E57 PolarHBondContact O-N 3.43Å; E57-Q59 VanDerWaalsContact C-N 3.3Å; E57-Q59 PolarHBondContact O-N 3.32Å; E57-G60 PolarHBondContact O-N 3.46Å; E57-L62 HydrophobicContact CG-CD1 3.85Å |
| 58 | D | 88.9 | Confident | 88.8 | Confident | 138 Ų | 138 | 49 Ų | 49 | 74% | 0.738 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | -179.9 | -79.7 | -11 | 0 | 0 | 0 | 113 | E54 G60 | E54-D58 WeakPolarHBondContact O-CB 3.4Å; E54-D58 PolarHBondContact O-N 3.13Å; D58-G60 VanDerWaalsContact C-N 3.28Å; D58-G60 PolarHBondContact O-N 3.28Å |
| 59 | Q | 89.1 | Confident | 88.7 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -9.1 | 178.2 | -68.3 | -66 | -38.4 | 0 | 0 | 113.2 | C23 R27 L55 E57 F61 | C23-Q59 HydrophobicContact CB-CG 4.34Å; R27-Q59 PolarHBondContact NH1-O 3.49Å; R27-Q59 PolarHBondContact NH2-O 2.88Å; L55-Q59 HydrophobicContact CD1-CG 4.05Å; L55-Q59 HydrophobicContact CG-CG 4.36Å; L55-Q59 VanDerWaalsContact O-CB 3.24Å; L55-Q59 WeakPolarHBondContact O-CB 3.32Å; L55-Q59 WeakPolarHBondContact O-CG 3.47Å; L55-Q59 PolarHBondContact O-N 3.41Å; E57-Q59 VanDerWaalsContact C-N 3.3Å; E57-Q59 PolarHBondContact O-N 3.32Å; Q59-F61 HydrophobicContact CB-CD2 3.55Å; Q59-F61 HydrophobicContact CB-CE2 3.44Å; Q59-F61 VanDerWaalsContact CB-CE2 3.44Å; Q59-F61 HydrophobicContact CB-CG 4.41Å; Q59-F61 HydrophobicContact CB-CZ 4.23Å; Q59-F61 HydrophobicContact CG-CD2 4.44Å; Q59-F61 HydrophobicContact CG-CE2 3.96Å |
| 60 | G | 91 | Very high | 88.6 | Confident | 19 Ų | 19 | 53 Ų | 53 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 36.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V56 E57 D58 L62 Q64 | V56-G60 PolarHBondContact O-N 3.02Å; E57-G60 PolarHBondContact O-N 3.46Å; D58-G60 VanDerWaalsContact C-N 3.28Å; D58-G60 PolarHBondContact O-N 3.28Å; G60-L62 VanDerWaalsContact C-N 3.32Å; G60-Q64 PolarHBondContact O-NE2 3.14Å |
| 61 | F | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.2 | -27.1 | 174.5 | -76.6 | -59.5 | 0 | 0 | 0 | 112.2 | C23 L26 R27 L30 V45 L48 V56 Q59 D63 Q64 L65 | C23-F61 HydrophobicContact CB-CE2 4.14Å; C23-F61 HydrophobicContact CB-CZ 4.01Å; C23-F61 WeakPolarHBondContact O-CZ 3.43Å; L26-F61 HydrophobicContact CB-CE1 4.3Å; L26-F61 HydrophobicContact CB-CZ 4.29Å; L26-F61 HydrophobicContact CD2-CD1 4.46Å; L26-F61 HydrophobicContact CD2-CE1 4.03Å; L26-F61 HydrophobicContact CD2-CE2 4.37Å; L26-F61 HydrophobicContact CD2-CZ 3.99Å; L26-F61 HydrophobicContact CG-CE1 4.01Å; L26-F61 HydrophobicContact CG-CZ 4.28Å; R27-F61 HydrophobicContact CB-CE1 4.16Å; L30-F61 HydrophobicContact CD1-CD1 3.5Å; L30-F61 VanDerWaalsContact CD1-CD1 3.5Å; L30-F61 HydrophobicContact CD1-CE1 3.83Å; V45-F61 HydrophobicContact CG1-CB 3.86Å; V45-F61 HydrophobicContact CG2-CB 4.41Å; V45-F61 HydrophobicContact CG2-CD1 4.36Å; V45-F61 HydrophobicContact CG2-CG 4.48Å; L48-F61 HydrophobicContact CD2-CD2 4.2Å; L48-F61 HydrophobicContact CD2-CE2 3.93Å; V56-F61 HydrophobicContact CG1-CB 3.78Å; V56-F61 HydrophobicContact CG1-CD2 4.45Å; V56-F61 PolarHBondContact O-N 2.95Å; V56-F61 VanDerWaalsContact O-N 3.13Å; Q59-F61 HydrophobicContact CB-CD2 3.55Å; Q59-F61 HydrophobicContact CB-CE2 3.44Å; Q59-F61 VanDerWaalsContact CB-CE2 3.44Å; Q59-F61 HydrophobicContact CB-CG 4.41Å; Q59-F61 HydrophobicContact CB-CZ 4.23Å; Q59-F61 HydrophobicContact CG-CD2 4.44Å; Q59-F61 HydrophobicContact CG-CE2 3.96Å; F61-D63 VanDerWaalsContact C-N 3.32Å; F61-D63 PolarHBondContact O-N 3.41Å; F61-Q64 PolarHBondContact O-N 2.94Å; F61-L65 PolarHBondContact O-N 3.38Å |
| 62 | L | 89.7 | Confident | 88.8 | Confident | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.6 | -61.9 | -178.8 | 0 | 0 | 0 | 111.8 | V56 E57 G60 Q64 L65 K66 I87 L95 | V56-L62 HydrophobicContact CG1-CD2 4.22Å; V56-L62 HydrophobicContact CG1-CG 4.42Å; E57-L62 HydrophobicContact CG-CD1 3.85Å; G60-L62 VanDerWaalsContact C-N 3.32Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; L62-L65 PolarHBondContact O-N 2.98Å; L62-K66 WeakPolarHBondContact O-CG 3.4Å; L62-K66 PolarHBondContact O-N 3.26Å; L62-I87 HydrophobicContact CD2-CD1 4.18Å; L62-I87 HydrophobicContact CD2-CG2 3.9Å; L62-L95 HydrophobicContact CD1-CB 4.37Å; L62-L95 HydrophobicContact CD1-CD1 3.8Å; L62-L95 HydrophobicContact CD1-CD2 4.24Å; L62-L95 HydrophobicContact CD1-CG 4.37Å; L62-L95 HydrophobicContact CD2-CD1 4.37Å |
| 63 | D | 90.7 | Very high | 88.9 | Confident | 98 Ų | 98 | 53.6 Ų | 53.6 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 177.2 | -65 | -34.6 | 0 | 0 | 0 | 111.3 | F61 K66 E67 | F61-D63 VanDerWaalsContact C-N 3.32Å; F61-D63 PolarHBondContact O-N 3.41Å; D63-K66 WeakPolarHBondContact O-CB 3.16Å; D63-K66 PolarHBondContact O-N 3.17Å; D63-E67 WeakPolarHBondContact O-CG 3.4Å; D63-E67 PolarHBondContact O-N 2.97Å |
| 64 | Q | 91.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 174.1 | -70.1 | 170.6 | 53.6 | 0 | 0 | 112.4 | L30 G60 F61 L62 K66 E67 L68 | L30-Q64 HydrophobicContact CD1-CB 4.09Å; G60-Q64 PolarHBondContact O-NE2 3.14Å; F61-Q64 PolarHBondContact O-N 2.94Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; Q64-K66 VanDerWaalsContact C-N 3.32Å; Q64-E67 WeakPolarHBondContact O-CB 3.31Å; Q64-E67 PolarHBondContact O-N 2.88Å; Q64-L68 WeakPolarHBondContact O-CG 3.18Å; Q64-L68 PolarHBondContact O-N 3.27Å |
| 65 | L | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 172.3 | -75.9 | 177.6 | 0 | 0 | 0 | 111.5 | A42 V45 F61 L62 E67 L68 M69 A83 L84 I87 | A42-L65 HydrophobicContact CB-CD2 3.78Å; V45-L65 HydrophobicContact CB-CD1 4.1Å; V45-L65 HydrophobicContact CB-CD2 4.34Å; V45-L65 HydrophobicContact CB-CG 4.38Å; V45-L65 HydrophobicContact CG1-CD1 3.57Å; V45-L65 HydrophobicContact CG1-CG 4.11Å; V45-L65 HydrophobicContact CG2-CD2 4.42Å; F61-L65 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 2.98Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 3.05Å; L65-L68 HydrophobicContact CD2-CD1 4.4Å; L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.1Å; L65-M69 PolarHBondContact O-N 3.34Å; L65-A83 HydrophobicContact CD1-CB 4.28Å; L65-A83 HydrophobicContact CD2-CB 4.17Å; L65-L84 HydrophobicContact CB-CD1 4.41Å; L65-L84 HydrophobicContact CB-CD2 3.86Å; L65-L84 HydrophobicContact CB-CG 4.06Å; L65-L84 HydrophobicContact CD1-CD2 4.13Å; L65-L84 HydrophobicContact CD1-CG 4.45Å; L65-I87 HydrophobicContact CD1-CD1 3.57Å |
| 66 | K | 88.6 | Confident | 88.9 | Confident | 67 Ų | 67 | 47.9 Ų | 47.9 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 175.2 | -70.1 | 169.4 | -175.9 | 172.8 | 0 | 111.9 | L62 D63 Q64 L68 M69 L84 L95 | L62-K66 WeakPolarHBondContact O-CG 3.4Å; L62-K66 PolarHBondContact O-N 3.26Å; D63-K66 WeakPolarHBondContact O-CB 3.16Å; D63-K66 PolarHBondContact O-N 3.17Å; Q64-K66 VanDerWaalsContact C-N 3.32Å; K66-L68 VanDerWaalsContact C-N 3.35Å; K66-M69 HydrophobicContact CB-CE 4.06Å; K66-M69 HydrophobicContact CG-CE 4.09Å; K66-M69 WeakPolarHBondContact O-CB 3.28Å; K66-M69 PolarHBondContact O-N 3.44Å; K66-L84 HydrophobicContact CG-CD1 4.33Å; K66-L84 HydrophobicContact CG-CD2 4.44Å; K66-L95 PolarHBondContact NZ-O 2.96Å |
| 67 | E | 90.4 | Very high | 88.9 | Confident | 122 Ų | 122 | 48.4 Ų | 48.4 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 172.1 | -72.7 | 176 | -176.4 | 0 | 0 | 111.5 | D63 Q64 L65 M69 S70 | D63-E67 WeakPolarHBondContact O-CG 3.4Å; D63-E67 PolarHBondContact O-N 2.97Å; Q64-E67 WeakPolarHBondContact O-CB 3.31Å; Q64-E67 PolarHBondContact O-N 2.88Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 3.05Å; E67-M69 PolarHBondContact O-N 2.86Å; E67-S70 PolarHBondContact O-N 3.32Å |
| 68 | L | 89.8 | Confident | 88.9 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -20.9 | 177.7 | -71.2 | 179.7 | 0 | 0 | 0 | 114 | L30 R38 A42 Q64 L65 K66 S70 D71 V76 A80 | L30-L68 HydrophobicContact CD2-CD1 3.56Å; R38-L68 HydrophobicContact CB-CD2 4.49Å; A42-L68 HydrophobicContact CB-CD1 4.19Å; Q64-L68 WeakPolarHBondContact O-CG 3.18Å; Q64-L68 PolarHBondContact O-N 3.27Å; L65-L68 HydrophobicContact CD2-CD1 4.4Å; L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.1Å; K66-L68 VanDerWaalsContact C-N 3.35Å; L68-S70 PolarHBondContact O-N 3.11Å; L68-D71 VanDerWaalsContact O-CB 3.24Å; L68-D71 WeakPolarHBondContact O-CB 3.46Å; L68-D71 PolarHBondContact O-N 3.4Å; L68-D71 VanDerWaalsContact O-N 3.11Å; L68-V76 HydrophobicContact CB-CG1 4.28Å; L68-V76 HydrophobicContact CD1-CG1 4.47Å; L68-V76 HydrophobicContact CD2-CG1 3.84Å; L68-V76 HydrophobicContact CG-CG1 4.43Å; L68-A80 HydrophobicContact CB-CB 3.71Å |
| 69 | M | 86.3 | Confident | 89 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.2 | 171.2 | -61.9 | -168.2 | -65.7 | 0 | 0 | 113.2 | L65 K66 E67 A80 V81 L84 W96 T102 | L65-M69 PolarHBondContact O-N 3.34Å; K66-M69 HydrophobicContact CB-CE 4.06Å; K66-M69 HydrophobicContact CG-CE 4.09Å; K66-M69 WeakPolarHBondContact O-CB 3.28Å; K66-M69 PolarHBondContact O-N 3.44Å; E67-M69 PolarHBondContact O-N 2.86Å; M69-A80 HydrophobicContact CG-CB 4.47Å; M69-V81 HydrophobicContact CG-CG2 3.98Å; M69-V81 HydrophobicContact SD-CG2 4.02Å; M69-L84 HydrophobicContact CE-CD1 4.02Å; M69-L84 HydrophobicContact CG-CD1 3.79Å; M69-L84 HydrophobicContact SD-CD1 3.41Å; M69-L84 WeakPolarHBondContact SD-CD1 3.34Å; M69-W96 HydrophobicContact CE-CZ2 4.2Å; M69-W96 HydrophobicContact SD-CH2 4.4Å; M69-W96 HydrophobicContact SD-CZ2 3.81Å; M69-T102 HydrophobicContact SD-CG2 4.1Å |
| 70 | S | 86.4 | Confident | 89.1 | Confident | 80 Ų | 80 | 35.6 Ų | 35.6 | 56% | 0.559 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 18.7 | 174.9 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | E67 L68 K105 | E67-S70 PolarHBondContact O-N 3.32Å; L68-S70 PolarHBondContact O-N 3.11Å; S70-K105 PolarHBondContact OG-NZ 3.38Å; S70-K105 VanDerWaalsContact OG-NZ 3.1Å |
| 71 | D | 88.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 34.7 Ų | 34.7 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | trans | -64.6 | 148.1 | 174.1 | -160.8 | -64.1 | 0 | 0 | 0 | 111.3 | R38 L68 N73 V76 V77 | R38-D71 IonicContact CZ-OD1 3.2Å; R38-D71 IonicContact CZ-OD2 2.87Å; R38-D71 IonicContact NE-OD2 2.59Å; R38-D71 PolarHBondContact NE-OD2 3.31Å; R38-D71 VanDerWaalsContact NH2-CG 3.34Å; R38-D71 IonicContact NH2-OD1 2.69Å; R38-D71 PolarHBondContact NH2-OD1 3.35Å; R38-D71 IonicContact NH2-OD2 3.18Å; R38-D71 PolarHBondContact NH2-OD2 3.3Å; L68-D71 VanDerWaalsContact O-CB 3.24Å; L68-D71 WeakPolarHBondContact O-CB 3.46Å; L68-D71 PolarHBondContact O-N 3.4Å; L68-D71 VanDerWaalsContact O-N 3.11Å; D71-N73 PolarHBondContact O-N 2.93Å; D71-N73 PolarHBondContact OD1-N 3.46Å; D71-V76 HydrophobicContact CB-CB 4.13Å; D71-V76 HydrophobicContact CB-CG1 3.96Å; D71-V77 HydrophobicContact CB-CG2 4.09Å; D71-V77 WeakPolarHBondContact O-CG2 3.41Å | ||
| 72 | S | 87.8 | Confident | 88.7 | Confident | 115 Ų | 115 | 35.5 Ų | 35.5 | 80% | 0.804 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -63.9 | -23.3 | 173.1 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 73 | N | 87.7 | Confident | 88.7 | Confident | 42 Ų | 42 | 34.8 Ų | 34.8 | 23% | 0.225 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -98.7 | 118.5 | -175.5 | -169.8 | -69 | 0 | 0 | 0 | 111.3 | P35 D71 M75 V76 V77 | P35-N73 HydrophobicContact CB-CB 4.07Å; P35-N73 HydrophobicContact CG-CB 4.32Å; D71-N73 PolarHBondContact O-N 2.93Å; D71-N73 PolarHBondContact OD1-N 3.46Å; N73-M75 PolarHBondContact O-N 3.13Å; N73-M75 VanDerWaalsContact OD1-CB 3.26Å; N73-M75 WeakPolarHBondContact OD1-CB 3.28Å; N73-M75 PolarHBondContact OD1-N 3.23Å; N73-V76 HydrophobicContact CB-CB 4.4Å; N73-V76 HydrophobicContact CB-CG2 3.99Å; N73-V76 PolarHBondContact O-N 3.03Å; N73-V77 PolarHBondContact O-N 3.04Å |
| 74 | P | 85.8 | Confident | 88.6 | Confident | 23 Ų | 23 | 30.3 Ų | 30.3 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.8 | -35.3 | -179.3 | -27.1 | 34.2 | 0 | 0 | 0 | 114.1 | V76 V77 A78 A109 E112 C113 | P74-V76 VanDerWaalsContact C-N 3.31Å; P74-V76 PolarHBondContact O-N 2.7Å; P74-V77 PolarHBondContact O-N 3.44Å; P74-A78 WeakPolarHBondContact O-CB 3.5Å; P74-A78 PolarHBondContact O-N 3.47Å; P74-A109 HydrophobicContact CB-CB 4.03Å; P74-E112 HydrophobicContact CB-CB 4.15Å; P74-E112 HydrophobicContact CG-CB 3.73Å; P74-E112 WeakPolarHBondContact CG-OE2 3.42Å; P74-C113 VanDerWaalsContact C-SG 3.56Å; P74-C113 PolarHBondContact O-SG 3.19Å; P74-C113 VanDerWaalsContact O-SG 3.4Å |
| 75 | M | 85.7 | Confident | 88.3 | Confident | 58 Ų | 58 | 30.4 Ų | 30.4 | 29% | 0.286 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.5 | -35.2 | -179.9 | -56.4 | -175.8 | 78 | 0 | 0 | 112.1 | N73 N79 T114 | N73-M75 PolarHBondContact O-N 3.13Å; N73-M75 VanDerWaalsContact OD1-CB 3.26Å; N73-M75 WeakPolarHBondContact OD1-CB 3.28Å; N73-M75 PolarHBondContact OD1-N 3.23Å; M75-N79 PolarHBondContact O-N 2.98Å; M75-N79 PolarHBondContact O-ND2 2.87Å; M75-T114 HydrophobicContact CE-CG2 3.97Å |
| 76 | V | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.9 | -44.7 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | P35 R38 K39 L68 D71 N73 P74 A78 N79 A80 | P35-V76 HydrophobicContact CB-CG2 3.84Å; P35-V76 WeakPolarHBondContact O-CG2 3.32Å; R38-V76 HydrophobicContact CB-CG1 4.01Å; R38-V76 HydrophobicContact CB-CG2 4.07Å; K39-V76 HydrophobicContact CB-CG2 4.31Å; L68-V76 HydrophobicContact CB-CG1 4.28Å; L68-V76 HydrophobicContact CD1-CG1 4.47Å; L68-V76 HydrophobicContact CD2-CG1 3.84Å; L68-V76 HydrophobicContact CG-CG1 4.43Å; D71-V76 HydrophobicContact CB-CB 4.13Å; D71-V76 HydrophobicContact CB-CG1 3.96Å; N73-V76 HydrophobicContact CB-CB 4.4Å; N73-V76 HydrophobicContact CB-CG2 3.99Å; N73-V76 PolarHBondContact O-N 3.03Å; P74-V76 VanDerWaalsContact C-N 3.31Å; P74-V76 PolarHBondContact O-N 2.7Å; V76-A78 PolarHBondContact O-N 2.96Å; V76-N79 PolarHBondContact O-N 2.89Å; V76-A80 VanDerWaalsContact O-CB 3.32Å; V76-A80 WeakPolarHBondContact O-CB 3.24Å; V76-A80 PolarHBondContact O-N 3.41Å |
| 77 | V | 89.6 | Confident | 88.1 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 176 | 178 | 0 | 0 | 0 | 0 | 111 | D71 N73 P74 N79 A80 V81 L106 | D71-V77 HydrophobicContact CB-CG2 4.09Å; D71-V77 WeakPolarHBondContact O-CG2 3.41Å; N73-V77 PolarHBondContact O-N 3.04Å; P74-V77 PolarHBondContact O-N 3.44Å; V77-N79 PolarHBondContact O-N 3.35Å; V77-A80 PolarHBondContact O-N 3.19Å; V77-V81 HydrophobicContact CG1-CG2 4.5Å; V77-V81 WeakPolarHBondContact O-CG2 2.97Å; V77-V81 PolarHBondContact O-N 3.21Å; V77-L106 HydrophobicContact CG1-CD2 4.28Å |
| 78 | A | 87.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P74 V76 A82 I121 | P74-A78 WeakPolarHBondContact O-CB 3.5Å; P74-A78 PolarHBondContact O-N 3.47Å; V76-A78 PolarHBondContact O-N 2.96Å; A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 3.31Å; A78-I121 HydrophobicContact CB-CD1 3.87Å; A78-I121 HydrophobicContact CB-CG1 3.83Å |
| 79 | N | 89.3 | Confident | 87.6 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.9 | -33 | 179 | -78.6 | -100.7 | 0 | 0 | 0 | 112.4 | K39 V43 M75 V76 V77 A83 | K39-N79 HydrophobicContact CB-CB 4.05Å; V43-N79 WeakPolarHBondContact CG2-OD1 3.12Å; M75-N79 PolarHBondContact O-N 2.98Å; M75-N79 PolarHBondContact O-ND2 2.87Å; V76-N79 PolarHBondContact O-N 2.89Å; V77-N79 PolarHBondContact O-N 3.35Å; N79-A83 VanDerWaalsContact O-CB 3.23Å; N79-A83 WeakPolarHBondContact O-CB 3.49Å; N79-A83 PolarHBondContact O-N 3.05Å |
| 80 | A | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L68 M69 V76 V77 A83 L84 | L68-A80 HydrophobicContact CB-CB 3.71Å; M69-A80 HydrophobicContact CG-CB 4.47Å; V76-A80 VanDerWaalsContact O-CB 3.32Å; V76-A80 WeakPolarHBondContact O-CB 3.24Å; V76-A80 PolarHBondContact O-N 3.41Å; V77-A80 PolarHBondContact O-N 3.19Å; A80-A83 PolarHBondContact O-N 3.17Å; A80-L84 WeakPolarHBondContact O-CG 3.35Å; A80-L84 PolarHBondContact O-N 2.83Å |
| 81 | V | 87.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.1 | -44.7 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | M69 V77 A83 L84 T85 T102 L106 S124 | M69-V81 HydrophobicContact CG-CG2 3.98Å; M69-V81 HydrophobicContact SD-CG2 4.02Å; V77-V81 HydrophobicContact CG1-CG2 4.5Å; V77-V81 WeakPolarHBondContact O-CG2 2.97Å; V77-V81 PolarHBondContact O-N 3.21Å; V81-A83 VanDerWaalsContact C-N 3.27Å; V81-A83 PolarHBondContact O-N 3.22Å; V81-L84 PolarHBondContact O-N 3Å; V81-L84 VanDerWaalsContact O-N 3.12Å; V81-T85 PolarHBondContact O-N 2.88Å; V81-T85 PolarHBondContact O-OG1 3.4Å; V81-T85 VanDerWaalsContact O-OG1 3.13Å; V81-T102 HydrophobicContact CG2-CG2 4.47Å; V81-L106 HydrophobicContact CB-CD2 3.97Å; V81-L106 HydrophobicContact CG1-CD1 3.75Å; V81-L106 HydrophobicContact CG1-CD2 4.09Å; V81-L106 HydrophobicContact CG1-CG 4.5Å; V81-L106 HydrophobicContact CG2-CD1 4.27Å; V81-L106 HydrophobicContact CG2-CD2 3.58Å; V81-L106 HydrophobicContact CG2-CG 4.25Å; V81-S124 WeakPolarHBondContact CG1-OG 3.35Å |
| 82 | A | 86.6 | Confident | 86.9 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.9 | -46.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A78 L84 T85 E86 F120 | A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 3.31Å; A82-L84 PolarHBondContact O-N 3.44Å; A82-T85 PolarHBondContact O-N 3.4Å; A82-E86 WeakPolarHBondContact O-CB 3.45Å; A82-E86 PolarHBondContact O-N 3.17Å; A82-F120 HydrophobicContact CB-CB 3.97Å; A82-F120 HydrophobicContact CB-CD1 4.25Å; A82-F120 HydrophobicContact CB-CG 4.12Å |
| 83 | A | 89.7 | Confident | 86.4 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V46 L65 N79 A80 V81 I87 | V46-A83 HydrophobicContact CG2-CB 3.23Å; L65-A83 HydrophobicContact CD1-CB 4.28Å; L65-A83 HydrophobicContact CD2-CB 4.17Å; N79-A83 VanDerWaalsContact O-CB 3.23Å; N79-A83 WeakPolarHBondContact O-CB 3.49Å; N79-A83 PolarHBondContact O-N 3.05Å; A80-A83 PolarHBondContact O-N 3.17Å; V81-A83 VanDerWaalsContact C-N 3.27Å; V81-A83 PolarHBondContact O-N 3.22Å; A83-I87 VanDerWaalsContact O-CB 3.3Å; A83-I87 WeakPolarHBondContact O-CB 3.35Å; A83-I87 WeakPolarHBondContact O-CD1 3.37Å; A83-I87 WeakPolarHBondContact O-CG1 3.32Å; A83-I87 PolarHBondContact O-N 3.25Å |
| 84 | L | 89.4 | Confident | 85.8 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.3 | -38.5 | 176.9 | -74.2 | 168.7 | 0 | 0 | 0 | 112.5 | L65 K66 M69 A80 V81 A82 N88 W96 | L65-L84 HydrophobicContact CB-CD1 4.41Å; L65-L84 HydrophobicContact CB-CD2 3.86Å; L65-L84 HydrophobicContact CB-CG 4.06Å; L65-L84 HydrophobicContact CD1-CD2 4.13Å; L65-L84 HydrophobicContact CD1-CG 4.45Å; K66-L84 HydrophobicContact CG-CD1 4.33Å; K66-L84 HydrophobicContact CG-CD2 4.44Å; M69-L84 HydrophobicContact CE-CD1 4.02Å; M69-L84 HydrophobicContact CG-CD1 3.79Å; M69-L84 HydrophobicContact SD-CD1 3.41Å; M69-L84 WeakPolarHBondContact SD-CD1 3.34Å; A80-L84 WeakPolarHBondContact O-CG 3.35Å; A80-L84 PolarHBondContact O-N 2.83Å; V81-L84 PolarHBondContact O-N 3Å; V81-L84 VanDerWaalsContact O-N 3.12Å; A82-L84 PolarHBondContact O-N 3.44Å; L84-N88 WeakPolarHBondContact O-CB 3.2Å; L84-N88 PolarHBondContact O-N 3.09Å; L84-W96 HydrophobicContact CB-CE3 4.25Å |
| 85 | T | 84.8 | Confident | 85.2 | Confident | 15 Ų | 15 | 43 Ų | 43 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | 174.7 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | V81 A82 I87 N88 E89 S124 | V81-T85 PolarHBondContact O-N 2.88Å; V81-T85 PolarHBondContact O-OG1 3.4Å; V81-T85 VanDerWaalsContact O-OG1 3.13Å; A82-T85 PolarHBondContact O-N 3.4Å; T85-I87 PolarHBondContact O-N 3.31Å; T85-N88 WeakPolarHBondContact O-CB 3.44Å; T85-N88 PolarHBondContact O-N 3.25Å; T85-E89 WeakPolarHBondContact O-CG 3.38Å; T85-E89 PolarHBondContact O-N 3.43Å; T85-S124 WeakPolarHBondContact OG1-CB 3.15Å; T85-S124 PolarHBondContact OG1-OG 3.12Å |
| 86 | E | 86.5 | Confident | 84.6 | Confident | 101 Ų | 101 | 41.6 Ų | 41.6 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 180 | -162.8 | 174.9 | 162.5 | 0 | 0 | 111.7 | V46 A82 N88 E89 M90 | V46-E86 HydrophobicContact CG1-CB 4.08Å; V46-E86 VanDerWaalsContact CG1-CD 3.4Å; V46-E86 HydrophobicContact CG1-CG 3.82Å; A82-E86 WeakPolarHBondContact O-CB 3.45Å; A82-E86 PolarHBondContact O-N 3.17Å; E86-N88 VanDerWaalsContact C-N 3.35Å; E86-N88 PolarHBondContact O-N 3.26Å; E86-E89 PolarHBondContact O-N 2.9Å; E86-M90 HydrophobicContact CG-CE 4.19Å; E86-M90 WeakPolarHBondContact O-CE 3.4Å; E86-M90 WeakPolarHBondContact O-CG 3.26Å; E86-M90 PolarHBondContact O-N 3.02Å; E86-M90 VanDerWaalsContact O-N 3.09Å |
| 87 | I | 88.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.1 | -72.7 | 167.8 | 0 | 0 | 0 | 111.8 | V45 V46 Y49 L62 L65 A83 T85 E89 M90 S91 L95 | V45-I87 HydrophobicContact CG1-CD1 4.2Å; V46-I87 HydrophobicContact CG2-CD1 4.4Å; V46-I87 HydrophobicContact CG2-CG1 4.45Å; Y49-I87 HydrophobicContact CD1-CG1 4.27Å; Y49-I87 HydrophobicContact CD1-CG2 4.11Å; Y49-I87 HydrophobicContact CD2-CG1 4.49Å; Y49-I87 HydrophobicContact CD2-CG2 3.97Å; Y49-I87 HydrophobicContact CE1-CG2 4.03Å; Y49-I87 HydrophobicContact CE2-CG2 3.92Å; Y49-I87 HydrophobicContact CG-CG1 4.01Å; Y49-I87 HydrophobicContact CG-CG2 4.08Å; L62-I87 HydrophobicContact CD2-CD1 4.18Å; L62-I87 HydrophobicContact CD2-CG2 3.9Å; L65-I87 HydrophobicContact CD1-CD1 3.57Å; A83-I87 VanDerWaalsContact O-CB 3.3Å; A83-I87 WeakPolarHBondContact O-CB 3.35Å; A83-I87 WeakPolarHBondContact O-CD1 3.37Å; A83-I87 WeakPolarHBondContact O-CG1 3.32Å; A83-I87 PolarHBondContact O-N 3.25Å; T85-I87 PolarHBondContact O-N 3.31Å; I87-E89 VanDerWaalsContact C-N 3.31Å; I87-E89 PolarHBondContact O-N 3.19Å; I87-M90 HydrophobicContact CG1-CE 4.09Å; I87-M90 PolarHBondContact O-N 3.33Å; I87-S91 WeakPolarHBondContact O-CB 3.32Å; I87-S91 PolarHBondContact O-N 3.43Å; I87-L95 HydrophobicContact CG2-CD1 3.59Å |
| 88 | N | 86.5 | Confident | 83.1 | Confident | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 175.5 | -89.1 | -19.4 | 0 | 0 | 0 | 112.8 | L84 T85 E86 L95 W96 | L84-N88 WeakPolarHBondContact O-CB 3.2Å; L84-N88 PolarHBondContact O-N 3.09Å; T85-N88 WeakPolarHBondContact O-CB 3.44Å; T85-N88 PolarHBondContact O-N 3.25Å; E86-N88 VanDerWaalsContact C-N 3.35Å; E86-N88 PolarHBondContact O-N 3.26Å; N88-L95 PolarHBondContact OD1-N 3.21Å; N88-W96 PolarHBondContact ND2-O 3.3Å; N88-W96 PolarHBondContact OD1-N 2.86Å; N88-W96 VanDerWaalsContact OD1-N 3.13Å |
| 89 | E | 83.9 | Confident | 82.6 | Confident | 125 Ų | 125 | 51.6 Ų | 51.6 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -71.8 | -32.6 | 176.2 | -70.9 | 177.8 | -176.6 | 0 | 0 | 112.3 | T85 E86 I87 N127 | T85-E89 WeakPolarHBondContact O-CG 3.38Å; T85-E89 PolarHBondContact O-N 3.43Å; E86-E89 PolarHBondContact O-N 2.9Å; I87-E89 VanDerWaalsContact C-N 3.31Å; I87-E89 PolarHBondContact O-N 3.19Å; E89-N127 PolarHBondContact OE1-ND2 2.8Å |
| 90 | M | 84.8 | Confident | 82.1 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 35% | 0.345 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -78.4 | -29.1 | 175.5 | -68.8 | -174.9 | -74.1 | 0 | 0 | 113 | V46 Y49 D50 E86 I87 | V46-M90 HydrophobicContact CG1-CE 3.67Å; Y49-M90 HydrophobicContact CD1-CB 4.09Å; Y49-M90 HydrophobicContact CD1-CE 3.87Å; Y49-M90 HydrophobicContact CD1-SD 4.4Å; Y49-M90 HydrophobicContact CE1-CB 3.94Å; D50-M90 HydrophobicContact CB-SD 4.17Å; E86-M90 HydrophobicContact CG-CE 4.19Å; E86-M90 WeakPolarHBondContact O-CE 3.4Å; E86-M90 WeakPolarHBondContact O-CG 3.26Å; E86-M90 PolarHBondContact O-N 3.02Å; E86-M90 VanDerWaalsContact O-N 3.09Å; I87-M90 HydrophobicContact CG1-CE 4.09Å; I87-M90 PolarHBondContact O-N 3.33Å |
| 91 | S | 83.1 | Confident | 81.7 | Confident | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -79.2 | 139.8 | -177.4 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | Y49 I87 K93 | Y49-S91 VanDerWaalsContact OH-CB 3.32Å; Y49-S91 WeakPolarHBondContact OH-CB 3.2Å; Y49-S91 PolarHBondContact OH-OG 2.98Å; Y49-S91 VanDerWaalsContact OH-OG 3.13Å; I87-S91 WeakPolarHBondContact O-CB 3.32Å; I87-S91 PolarHBondContact O-N 3.43Å; S91-K93 VanDerWaalsContact CB-O 3.32Å; S91-K93 WeakPolarHBondContact CB-O 3.33Å; S91-K93 PolarHBondContact O-N 2.95Å; S91-K93 VanDerWaalsContact O-N 3.13Å; S91-K93 PolarHBondContact OG-O 3.5Å; S91-K93 VanDerWaalsContact OG-O 3.12Å |
| 92 | P | 77.4 | Confident | 81.4 | Confident | 129 Ų | 129 | 59.6 Ų | 59.6 | 84% | 0.838 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -66.8 | -11.7 | 174.9 | 27.2 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 93 | K | 78.8 | Confident | 81.1 | Confident | 159 Ų | 159 | 58.9 Ų | 58.9 | 69% | 0.691 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -134.6 | 144.7 | 178.1 | -67.4 | 178.8 | -178.4 | 173 | 0 | 109.4 | S91 L95 | S91-K93 VanDerWaalsContact CB-O 3.32Å; S91-K93 WeakPolarHBondContact CB-O 3.33Å; S91-K93 PolarHBondContact O-N 2.95Å; S91-K93 VanDerWaalsContact O-N 3.13Å; S91-K93 PolarHBondContact OG-O 3.5Å; S91-K93 VanDerWaalsContact OG-O 3.12Å; K93-L95 PolarHBondContact O-N 3.34Å |
| 94 | P | 74.3 | Confident | 80.8 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | trans | -62.2 | 112.4 | 173 | 26.2 | -32.7 | 0 | 0 | 0 | 109.5 | W96 | P94-W96 VanDerWaalsContact C-N 3.29Š| ||
| 95 | L | 72.7 | Confident | 80.4 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -79.4 | -18.4 | 177.3 | -67.1 | 172.2 | 0 | 0 | 0 | 111.9 | Y49 L62 K66 I87 N88 K93 | Y49-L95 HydrophobicContact CE2-CD1 3.99Å; Y49-L95 WeakPolarHBondContact OH-CD1 3.32Å; L62-L95 HydrophobicContact CD1-CB 4.37Å; L62-L95 HydrophobicContact CD1-CD1 3.8Å; L62-L95 HydrophobicContact CD1-CD2 4.24Å; L62-L95 HydrophobicContact CD1-CG 4.37Å; L62-L95 HydrophobicContact CD2-CD1 4.37Å; K66-L95 PolarHBondContact NZ-O 2.96Å; I87-L95 HydrophobicContact CG2-CD1 3.59Å; N88-L95 PolarHBondContact OD1-N 3.21Å; K93-L95 PolarHBondContact O-N 3.34Å |
| 96 | W | 74.1 | Confident | 80.3 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | trans | -151.5 | 140.7 | 176.9 | 171.9 | 75.4 | 0 | 0 | 0 | 110.5 | M69 L84 N88 P94 M98 T102 | M69-W96 HydrophobicContact CE-CZ2 4.2Å; M69-W96 HydrophobicContact SD-CH2 4.4Å; M69-W96 HydrophobicContact SD-CZ2 3.81Å; L84-W96 HydrophobicContact CB-CE3 4.25Å; N88-W96 PolarHBondContact ND2-O 3.3Å; N88-W96 PolarHBondContact OD1-N 2.86Å; N88-W96 VanDerWaalsContact OD1-N 3.13Å; P94-W96 VanDerWaalsContact C-N 3.29Å; W96-M98 VanDerWaalsContact CH2-CA 3.45Å; W96-M98 HydrophobicContact CH2-CB 3.34Å; W96-M98 HydrophobicContact CH2-CG 3.51Å; W96-M98 HydrophobicContact CH2-SD 3.77Å; W96-M98 VanDerWaalsContact CZ2-CA 3.46Å; W96-M98 HydrophobicContact CZ2-CB 3.9Å; W96-M98 HydrophobicContact CZ2-CG 4.03Å; W96-M98 HydrophobicContact CZ3-CB 3.75Å; W96-M98 HydrophobicContact CZ3-CG 4.33Å; W96-M98 HydrophobicContact CZ3-SD 4.46Å; W96-T102 HydrophobicContact CH2-CG2 4.09Å; W96-T102 HydrophobicContact CZ2-CG2 3.82Å | ||
| 97 | E | 73.4 | Confident | 80.1 | Confident | 141 Ų | 141 | 62.6 Ų | 62.6 | 66% | 0.659 | 32% | 0.321 | S | S | * | . | trans | -108.5 | 131.9 | 170.5 | -71.9 | -178 | -177.1 | 0 | 0 | 109.7 | N99 | E97-N99 PolarHBondContact O-N 3.46Š| ||
| 98 | M | 74.5 | Confident | 79.9 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | trans | -67.5 | 129.6 | 172.4 | -169.1 | 151 | 63.6 | 0 | 0 | 110 | W96 T102 V103 L106 S124 L125 Y128 | W96-M98 VanDerWaalsContact CH2-CA 3.45Å; W96-M98 HydrophobicContact CH2-CB 3.34Å; W96-M98 HydrophobicContact CH2-CG 3.51Å; W96-M98 HydrophobicContact CH2-SD 3.77Å; W96-M98 VanDerWaalsContact CZ2-CA 3.46Å; W96-M98 HydrophobicContact CZ2-CB 3.9Å; W96-M98 HydrophobicContact CZ2-CG 4.03Å; W96-M98 HydrophobicContact CZ3-CB 3.75Å; W96-M98 HydrophobicContact CZ3-CG 4.33Å; W96-M98 HydrophobicContact CZ3-SD 4.46Å; M98-T102 HydrophobicContact CG-CG2 4.41Å; M98-T102 HydrophobicContact SD-CG2 4.46Å; M98-V103 HydrophobicContact CE-CG2 4.02Å; M98-V103 HydrophobicContact CG-CG2 3.75Å; M98-V103 HydrophobicContact SD-CG2 3.95Å; M98-L106 HydrophobicContact SD-CD1 3.63Å; M98-S124 WeakPolarHBondContact CE-O 3.45Å; M98-L125 HydrophobicContact CE-CD2 4.05Å; M98-Y128 HydrophobicContact CB-CD2 3.82Å; M98-Y128 HydrophobicContact CB-CE2 4.13Å; M98-Y128 HydrophobicContact CE-CD1 4.35Å; M98-Y128 HydrophobicContact CE-CD2 3.49Å; M98-Y128 VanDerWaalsContact CE-CD2 3.49Å; M98-Y128 HydrophobicContact CE-CE2 4.46Å; M98-Y128 HydrophobicContact CE-CG 3.42Å; M98-Y128 VanDerWaalsContact CE-CG 3.42Å; M98-Y128 HydrophobicContact CG-CD2 4.02Å; M98-Y128 HydrophobicContact CG-CE2 4.23Å; M98-Y128 WeakPolarHBondContact O-CE2 3.4Å | ||
| 99 | N | 78.3 | Confident | 79.8 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | trans | -109.7 | 160.2 | 176.7 | 66.8 | 44.4 | 0 | 0 | 0 | 110.1 | E97 Q101 T102 V103 | E97-N99 PolarHBondContact O-N 3.46Å; N99-Q101 PolarHBondContact O-N 3.43Å; N99-Q101 WeakPolarHBondContact OD1-CA 3.39Å; N99-Q101 VanDerWaalsContact OD1-CB 3.3Å; N99-Q101 WeakPolarHBondContact OD1-CB 3.31Å; N99-Q101 PolarHBondContact OD1-N 3.22Å; N99-T102 PolarHBondContact O-N 2.88Å; N99-T102 PolarHBondContact OD1-N 3.3Å; N99-T102 PolarHBondContact OD1-OG1 3.38Å; N99-V103 PolarHBondContact O-N 2.96Å | ||
| 100 | S | 78.4 | Confident | 79.7 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.1 | -25.9 | 179.4 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | N104 Y128 E135 | S100-N104 PolarHBondContact O-N 3Å; S100-N104 PolarHBondContact O-ND2 3.1Å; S100-Y128 PolarHBondContact OG-OH 3.21Å; S100-E135 WeakPolarHBondContact CA-OE1 3.32Å; S100-E135 WeakPolarHBondContact CB-OE1 3.36Å; S100-E135 PolarHBondContact OG-OE1 3.22Å |
| 101 | Q | 81.5 | Confident | 79.5 | Confident | 145 Ų | 145 | 61.9 Ų | 61.9 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70.4 | -43.4 | 175.9 | -60.1 | 177.4 | -12.7 | 0 | 0 | 111.2 | N99 N104 K105 | N99-Q101 PolarHBondContact O-N 3.43Å; N99-Q101 WeakPolarHBondContact OD1-CA 3.39Å; N99-Q101 VanDerWaalsContact OD1-CB 3.3Å; N99-Q101 WeakPolarHBondContact OD1-CB 3.31Å; N99-Q101 PolarHBondContact OD1-N 3.22Å; Q101-N104 PolarHBondContact O-N 3.46Å; Q101-K105 WeakPolarHBondContact O-CG 3.42Å; Q101-K105 PolarHBondContact O-N 3.24Å |
| 102 | T | 81.4 | Confident | 79.5 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64 | -42 | 174.2 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | M69 V81 W96 M98 N99 N104 K105 L106 | M69-T102 HydrophobicContact SD-CG2 4.1Å; V81-T102 HydrophobicContact CG2-CG2 4.47Å; W96-T102 HydrophobicContact CH2-CG2 4.09Å; W96-T102 HydrophobicContact CZ2-CG2 3.82Å; M98-T102 HydrophobicContact CG-CG2 4.41Å; M98-T102 HydrophobicContact SD-CG2 4.46Å; N99-T102 PolarHBondContact O-N 2.88Å; N99-T102 PolarHBondContact OD1-N 3.3Å; N99-T102 PolarHBondContact OD1-OG1 3.38Å; T102-N104 PolarHBondContact O-N 3.4Å; T102-K105 WeakPolarHBondContact O-CB 3.44Å; T102-K105 PolarHBondContact O-N 3.02Å; T102-K105 VanDerWaalsContact O-N 3.17Å; T102-L106 HydrophobicContact CG2-CD1 4.07Å; T102-L106 HydrophobicContact CG2-CG 4.22Å; T102-L106 WeakPolarHBondContact O-CB 3.5Å; T102-L106 VanDerWaalsContact O-CG 3.3Å; T102-L106 WeakPolarHBondContact O-CG 3.42Å; T102-L106 PolarHBondContact O-N 3.42Å |
| 103 | V | 81.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 175 | 175.2 | 0 | 0 | 0 | 0 | 111 | M98 N99 K105 L106 L107 L125 Y128 | M98-V103 HydrophobicContact CE-CG2 4.02Å; M98-V103 HydrophobicContact CG-CG2 3.75Å; M98-V103 HydrophobicContact SD-CG2 3.95Å; N99-V103 PolarHBondContact O-N 2.96Å; V103-K105 VanDerWaalsContact C-N 3.32Å; V103-K105 PolarHBondContact O-N 3.45Å; V103-L106 WeakPolarHBondContact O-CB 3.49Å; V103-L106 PolarHBondContact O-N 2.91Å; V103-L106 VanDerWaalsContact O-N 3.16Å; V103-L107 HydrophobicContact CG1-CD1 4.09Å; V103-L107 HydrophobicContact CG1-CG 4.28Å; V103-L107 VanDerWaalsContact O-CG 3.3Å; V103-L107 WeakPolarHBondContact O-CG 3.45Å; V103-L107 PolarHBondContact O-N 2.93Å; V103-L125 HydrophobicContact CB-CD2 4.45Å; V103-L125 HydrophobicContact CG1-CD2 3.88Å; V103-L125 HydrophobicContact CG2-CD2 4.19Å; V103-Y128 HydrophobicContact CG2-CD1 3.9Å; V103-Y128 HydrophobicContact CG2-CD2 4.31Å; V103-Y128 HydrophobicContact CG2-CE1 3.67Å; V103-Y128 HydrophobicContact CG2-CE2 4.11Å; V103-Y128 HydrophobicContact CG2-CG 4.22Å |
| 104 | N | 82.7 | Confident | 79.7 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 177.9 | -74 | -56.6 | 0 | 0 | 0 | 112.7 | S100 Q101 T102 T108 | S100-N104 PolarHBondContact O-N 3Å; S100-N104 PolarHBondContact O-ND2 3.1Å; Q101-N104 PolarHBondContact O-N 3.46Å; T102-N104 PolarHBondContact O-N 3.4Å; N104-T108 PolarHBondContact O-N 3.46Å; N104-T108 VanDerWaalsContact O-N 3.08Å; N104-T108 PolarHBondContact O-OG1 3.05Å |
| 105 | K | 81.9 | Confident | 79.7 | Confident | 98 Ų | 98 | 59.3 Ų | 59.3 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 173.4 | -73.2 | 178.6 | 177.7 | -177.3 | 0 | 111.6 | S70 Q101 T102 V103 T108 A109 | S70-K105 PolarHBondContact OG-NZ 3.38Å; S70-K105 VanDerWaalsContact OG-NZ 3.1Å; Q101-K105 WeakPolarHBondContact O-CG 3.42Å; Q101-K105 PolarHBondContact O-N 3.24Å; T102-K105 WeakPolarHBondContact O-CB 3.44Å; T102-K105 PolarHBondContact O-N 3.02Å; T102-K105 VanDerWaalsContact O-N 3.17Å; V103-K105 VanDerWaalsContact C-N 3.32Å; V103-K105 PolarHBondContact O-N 3.45Å; K105-T108 WeakPolarHBondContact O-CB 3.24Å; K105-T108 PolarHBondContact O-N 3.12Å; K105-A109 WeakPolarHBondContact O-CB 3.5Å; K105-A109 PolarHBondContact O-N 3.42Å |
| 106 | L | 82.3 | Confident | 80 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.9 | -76.6 | 175.9 | 0 | 0 | 0 | 112 | V77 V81 M98 T102 V103 T108 A109 L110 I121 L125 | V77-L106 HydrophobicContact CG1-CD2 4.28Å; V81-L106 HydrophobicContact CB-CD2 3.97Å; V81-L106 HydrophobicContact CG1-CD1 3.75Å; V81-L106 HydrophobicContact CG1-CD2 4.09Å; V81-L106 HydrophobicContact CG1-CG 4.5Å; V81-L106 HydrophobicContact CG2-CD1 4.27Å; V81-L106 HydrophobicContact CG2-CD2 3.58Å; V81-L106 HydrophobicContact CG2-CG 4.25Å; M98-L106 HydrophobicContact SD-CD1 3.63Å; T102-L106 HydrophobicContact CG2-CD1 4.07Å; T102-L106 HydrophobicContact CG2-CG 4.22Å; T102-L106 WeakPolarHBondContact O-CB 3.5Å; T102-L106 VanDerWaalsContact O-CG 3.3Å; T102-L106 WeakPolarHBondContact O-CG 3.42Å; T102-L106 PolarHBondContact O-N 3.42Å; V103-L106 WeakPolarHBondContact O-CB 3.49Å; V103-L106 PolarHBondContact O-N 2.91Å; V103-L106 VanDerWaalsContact O-N 3.16Å; L106-T108 PolarHBondContact O-N 3.33Å; L106-A109 CarbonylContact O-C 3.58Å; L106-A109 PolarHBondContact O-N 3.44Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 PolarHBondContact O-N 2.93Å; L106-I121 HydrophobicContact CB-CG2 3.85Å; L106-I121 HydrophobicContact CD2-CD1 4.3Å; L106-I121 HydrophobicContact CD2-CG1 3.92Å; L106-I121 HydrophobicContact CD2-CG2 4.15Å; L106-I121 HydrophobicContact CG-CG2 4.42Å; L106-L125 HydrophobicContact CD1-CD2 4.45Å |
| 107 | L | 82.5 | Confident | 80.1 | Confident | 26 Ų | 26 | 65 Ų | 65 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.9 | -33.9 | 174.7 | -68.8 | 178.8 | 0 | 0 | 0 | 112.1 | V103 N111 L125 V142 | V103-L107 HydrophobicContact CG1-CD1 4.09Å; V103-L107 HydrophobicContact CG1-CG 4.28Å; V103-L107 VanDerWaalsContact O-CG 3.3Å; V103-L107 WeakPolarHBondContact O-CG 3.45Å; V103-L107 PolarHBondContact O-N 2.93Å; L107-N111 PolarHBondContact O-ND2 3.18Å; L107-L125 HydrophobicContact CD2-CD1 3.95Å; L107-V142 HydrophobicContact CD2-CB 4.18Å; L107-V142 HydrophobicContact CD2-CG1 3.87Å; L107-V142 HydrophobicContact CD2-CG2 4.01Å |
| 108 | T | 84.1 | Confident | 80.4 | Confident | 86 Ų | 86 | 59 Ų | 59 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.3 | -48.3 | 173.9 | -52 | 0 | 0 | 0 | 0 | 110.8 | N104 K105 L106 L110 N111 | N104-T108 PolarHBondContact O-N 3.46Å; N104-T108 VanDerWaalsContact O-N 3.08Å; N104-T108 PolarHBondContact O-OG1 3.05Å; K105-T108 WeakPolarHBondContact O-CB 3.24Å; K105-T108 PolarHBondContact O-N 3.12Å; L106-T108 PolarHBondContact O-N 3.33Å; T108-L110 PolarHBondContact O-N 3.23Å; T108-N111 PolarHBondContact O-N 2.87Å |
| 109 | A | 83.6 | Confident | 80.6 | Confident | 7 Ų | 7 | 59 Ų | 59 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -30.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P74 K105 L106 N111 E112 C113 I121 | P74-A109 HydrophobicContact CB-CB 4.03Å; K105-A109 WeakPolarHBondContact O-CB 3.5Å; K105-A109 PolarHBondContact O-N 3.42Å; L106-A109 CarbonylContact O-C 3.58Å; L106-A109 PolarHBondContact O-N 3.44Å; A109-N111 PolarHBondContact O-N 3.3Å; A109-E112 CarbonylContact O-C 3.6Å; A109-E112 PolarHBondContact O-N 2.89Å; A109-C113 VanDerWaalsContact O-CB 3.32Å; A109-C113 WeakPolarHBondContact O-CB 3.36Å; A109-C113 PolarHBondContact O-N 2.96Å; A109-C113 PolarHBondContact O-SG 2.91Å; A109-I121 HydrophobicContact CB-CD1 4.06Å |
| 110 | L | 82.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -36.8 | 178.3 | -169.7 | 70.7 | 0 | 0 | 0 | 112.1 | L106 T108 E112 Q118 I121 L122 V142 F146 | L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 PolarHBondContact O-N 2.93Å; T108-L110 PolarHBondContact O-N 3.23Å; L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 PolarHBondContact O-N 3.47Å; L110-Q118 HydrophobicContact CD1-CB 3.62Å; L110-Q118 HydrophobicContact CD1-CG 3.75Å; L110-Q118 HydrophobicContact CG-CG 4.35Å; L110-Q118 WeakPolarHBondContact O-CG 3.46Å; L110-Q118 PolarHBondContact O-NE2 3.41Å; L110-I121 HydrophobicContact CB-CD1 4.43Å; L110-I121 HydrophobicContact CB-CG2 4.49Å; L110-I121 HydrophobicContact CD1-CB 3.93Å; L110-I121 HydrophobicContact CD1-CD1 4.35Å; L110-I121 HydrophobicContact CD1-CG2 3.93Å; L110-L122 HydrophobicContact CD1-CD2 4.43Å; L110-L122 HydrophobicContact CD1-CG 4.13Å; L110-L122 HydrophobicContact CD2-CD2 4.21Å; L110-V142 HydrophobicContact CD2-CG1 3.27Å; L110-F146 HydrophobicContact CD1-CE2 4.45Å; L110-F146 HydrophobicContact CD1-CZ 4.47Å; L110-F146 HydrophobicContact CD2-CD2 3.78Å; L110-F146 HydrophobicContact CD2-CE2 3.29Å; L110-F146 HydrophobicContact CD2-CZ 3.96Å; L110-F146 HydrophobicContact CG-CD2 4.37Å; L110-F146 HydrophobicContact CG-CE2 3.63Å; L110-F146 HydrophobicContact CG-CZ 3.75Å |
| 111 | N | 80.7 | Confident | 80.8 | Confident | 124 Ų | 124 | 58.6 Ų | 58.6 | 66% | 0.663 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20.1 | 177.9 | -63.9 | -47.7 | 0 | 0 | 0 | 113.5 | L107 T108 A109 | L107-N111 PolarHBondContact O-ND2 3.18Å; T108-N111 PolarHBondContact O-N 2.87Å; A109-N111 PolarHBondContact O-N 3.3Å |
| 112 | E | 83.7 | Confident | 80.6 | Confident | 136 Ų | 136 | 51.8 Ų | 51.8 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -10.5 | -175.1 | -62.2 | -176.2 | 179.2 | 0 | 0 | 113.2 | P74 A109 L110 | P74-E112 HydrophobicContact CB-CB 4.15Å; P74-E112 HydrophobicContact CG-CB 3.73Å; P74-E112 WeakPolarHBondContact CG-OE2 3.42Å; A109-E112 CarbonylContact O-C 3.6Å; A109-E112 PolarHBondContact O-N 2.89Å; L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 PolarHBondContact O-N 3.47Å |
| 113 | C | 78.2 | Confident | 80.4 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.081 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -80.5 | 155.1 | -180 | -85.4 | 0 | 0 | 0 | 0 | 112.5 | P74 A109 Q118 | P74-C113 VanDerWaalsContact C-SG 3.56Å; P74-C113 PolarHBondContact O-SG 3.19Å; P74-C113 VanDerWaalsContact O-SG 3.4Å; A109-C113 VanDerWaalsContact O-CB 3.32Å; A109-C113 WeakPolarHBondContact O-CB 3.36Å; A109-C113 PolarHBondContact O-N 2.96Å; A109-C113 PolarHBondContact O-SG 2.91Å; C113-Q118 HydrophobicContact CB-CG 4.11Å; C113-Q118 PolarHBondContact O-NE2 3.46Å |
| 114 | T | 81.7 | Confident | 80.2 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | trans | -66.1 | 159.9 | 165.4 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | M75 W116 G117 Q118 | M75-T114 HydrophobicContact CE-CG2 3.97Å; T114-W116 VanDerWaalsContact C-N 3.28Å; T114-W116 PolarHBondContact O-N 2.86Å; T114-W116 VanDerWaalsContact O-N 3.1Å; T114-G117 WeakPolarHBondContact O-CA 3.22Å; T114-G117 PolarHBondContact O-N 3.04Å; T114-Q118 PolarHBondContact O-N 3.18Å | ||
| 115 | E | 74.3 | Confident | 80 | Confident | 122 Ų | 122 | 50.9 Ų | 50.9 | 57% | 0.57 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -41.2 | -51.1 | 175.8 | -59.5 | 166.8 | 140.7 | 0 | 0 | 112.7 | G117 Q118 V119 | E115-G117 VanDerWaalsContact C-N 3.35Å; E115-G117 PolarHBondContact O-N 3.46Å; E115-Q118 WeakPolarHBondContact O-CB 3.46Å; E115-Q118 PolarHBondContact O-N 3.15Å; E115-Q118 VanDerWaalsContact O-N 3.11Å; E115-V119 WeakPolarHBondContact O-CG2 3.23Å; E115-V119 PolarHBondContact O-N 3.2Å |
| 116 | W | 77.8 | Confident | 79.6 | Confident | 190 Ų | 190 | 46.9 Ų | 46.9 | 72% | 0.72 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.3 | -37.2 | 178.2 | -64.1 | 102.3 | 0 | 0 | 0 | 114.3 | T114 Q118 V119 F120 | T114-W116 VanDerWaalsContact C-N 3.28Å; T114-W116 PolarHBondContact O-N 2.86Å; T114-W116 VanDerWaalsContact O-N 3.1Å; W116-Q118 VanDerWaalsContact C-N 3.31Å; W116-V119 PolarHBondContact O-N 2.72Å; W116-F120 WeakPolarHBondContact O-CD2 3.44Å; W116-F120 WeakPolarHBondContact O-CG 3.38Å; W116-F120 PolarHBondContact O-N 3.41Å |
| 117 | G | 77.8 | Confident | 79.1 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -34.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T114 E115 F120 I121 | T114-G117 WeakPolarHBondContact O-CA 3.22Å; T114-G117 PolarHBondContact O-N 3.04Å; E115-G117 VanDerWaalsContact C-N 3.35Å; E115-G117 PolarHBondContact O-N 3.46Å; G117-F120 PolarHBondContact O-N 3.35Å; G117-I121 VanDerWaalsContact O-CG1 3.3Å; G117-I121 WeakPolarHBondContact O-CG1 3.41Å; G117-I121 PolarHBondContact O-N 2.98Å; G117-I121 VanDerWaalsContact O-N 3.1Å |
| 118 | Q | 79.6 | Confident | 78.7 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 174.7 | -64.8 | 171.8 | -17 | 0 | 0 | 111.7 | L110 C113 T114 E115 W116 F120 I121 L122 F146 E150 | L110-Q118 HydrophobicContact CD1-CB 3.62Å; L110-Q118 HydrophobicContact CD1-CG 3.75Å; L110-Q118 HydrophobicContact CG-CG 4.35Å; L110-Q118 WeakPolarHBondContact O-CG 3.46Å; L110-Q118 PolarHBondContact O-NE2 3.41Å; C113-Q118 HydrophobicContact CB-CG 4.11Å; C113-Q118 PolarHBondContact O-NE2 3.46Å; T114-Q118 PolarHBondContact O-N 3.18Å; E115-Q118 WeakPolarHBondContact O-CB 3.46Å; E115-Q118 PolarHBondContact O-N 3.15Å; E115-Q118 VanDerWaalsContact O-N 3.11Å; W116-Q118 VanDerWaalsContact C-N 3.31Å; Q118-F120 VanDerWaalsContact C-N 3.32Å; Q118-F120 PolarHBondContact O-N 3.35Å; Q118-I121 PolarHBondContact O-N 3.32Å; Q118-L122 WeakPolarHBondContact O-CB 3.3Å; Q118-L122 VanDerWaalsContact O-CG 3.24Å; Q118-L122 WeakPolarHBondContact O-CG 3.46Å; Q118-L122 PolarHBondContact O-N 2.87Å; Q118-F146 VanDerWaalsContact CD-CE1 3.42Å; Q118-F146 HydrophobicContact CG-CE1 4.28Å; Q118-E150 PolarHBondContact OE1-OE2 3.25Å |
| 119 | V | 78.1 | Confident | 78.1 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.7 | -49 | 174.1 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | E115 W116 I121 L122 D123 I152 V155 | E115-V119 WeakPolarHBondContact O-CG2 3.23Å; E115-V119 PolarHBondContact O-N 3.2Å; W116-V119 PolarHBondContact O-N 2.72Å; V119-I121 PolarHBondContact O-N 3.22Å; V119-L122 PolarHBondContact O-N 3.43Å; V119-D123 WeakPolarHBondContact O-CB 3.38Å; V119-D123 PolarHBondContact O-N 2.59Å; V119-I152 HydrophobicContact CG2-CD1 4.02Å; V119-I152 HydrophobicContact CG2-CG2 3.65Å; V119-V155 HydrophobicContact CG1-CG2 4.18Å; V119-V155 HydrophobicContact CG2-CG2 4.23Å |
| 120 | F | 79.3 | Confident | 77.6 | Confident | 80 Ų | 80 | 51.9 Ų | 51.9 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 179.3 | -68.9 | -43 | 0 | 0 | 0 | 113.2 | A82 W116 G117 Q118 D123 S124 | A82-F120 HydrophobicContact CB-CB 3.97Å; A82-F120 HydrophobicContact CB-CD1 4.25Å; A82-F120 HydrophobicContact CB-CG 4.12Å; W116-F120 WeakPolarHBondContact O-CD2 3.44Å; W116-F120 WeakPolarHBondContact O-CG 3.38Å; W116-F120 PolarHBondContact O-N 3.41Å; G117-F120 PolarHBondContact O-N 3.35Å; Q118-F120 VanDerWaalsContact C-N 3.32Å; Q118-F120 PolarHBondContact O-N 3.35Å; F120-D123 PolarHBondContact O-N 3.49Å; F120-S124 PolarHBondContact O-N 3.39Å; F120-S124 PolarHBondContact O-OG 3.41Å |
| 121 | I | 81.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 177.4 | -67.7 | 171.7 | 0 | 0 | 0 | 110.6 | A78 L106 A109 L110 G117 Q118 V119 D123 S124 L125 | A78-I121 HydrophobicContact CB-CD1 3.87Å; A78-I121 HydrophobicContact CB-CG1 3.83Å; L106-I121 HydrophobicContact CB-CG2 3.85Å; L106-I121 HydrophobicContact CD2-CD1 4.3Å; L106-I121 HydrophobicContact CD2-CG1 3.92Å; L106-I121 HydrophobicContact CD2-CG2 4.15Å; L106-I121 HydrophobicContact CG-CG2 4.42Å; A109-I121 HydrophobicContact CB-CD1 4.06Å; L110-I121 HydrophobicContact CB-CD1 4.43Å; L110-I121 HydrophobicContact CB-CG2 4.49Å; L110-I121 HydrophobicContact CD1-CB 3.93Å; L110-I121 HydrophobicContact CD1-CD1 4.35Å; L110-I121 HydrophobicContact CD1-CG2 3.93Å; G117-I121 VanDerWaalsContact O-CG1 3.3Å; G117-I121 WeakPolarHBondContact O-CG1 3.41Å; G117-I121 PolarHBondContact O-N 2.98Å; G117-I121 VanDerWaalsContact O-N 3.1Å; Q118-I121 PolarHBondContact O-N 3.32Å; V119-I121 PolarHBondContact O-N 3.22Å; I121-D123 VanDerWaalsContact C-N 3.28Å; I121-D123 PolarHBondContact O-N 3.09Å; I121-S124 PolarHBondContact O-N 3.22Å; I121-L125 HydrophobicContact CG2-CD1 3.92Å; I121-L125 HydrophobicContact CG2-CG 4.32Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 2.95Å |
| 122 | L | 78.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -38 | 179.5 | -70.3 | 170.3 | 0 | 0 | 0 | 111.5 | L110 Q118 V119 L125 A126 I143 F146 V155 | L110-L122 HydrophobicContact CD1-CD2 4.43Å; L110-L122 HydrophobicContact CD1-CG 4.13Å; L110-L122 HydrophobicContact CD2-CD2 4.21Å; Q118-L122 WeakPolarHBondContact O-CB 3.3Å; Q118-L122 VanDerWaalsContact O-CG 3.24Å; Q118-L122 WeakPolarHBondContact O-CG 3.46Å; Q118-L122 PolarHBondContact O-N 2.87Å; V119-L122 PolarHBondContact O-N 3.43Å; L122-L125 PolarHBondContact O-N 3.47Å; L122-A126 PolarHBondContact O-N 2.98Å; L122-I143 HydrophobicContact CD2-CG1 3.91Å; L122-F146 HydrophobicContact CD1-CB 3.95Å; L122-F146 HydrophobicContact CD1-CG 4.23Å; L122-V155 HydrophobicContact CD1-CG1 4.49Å |
| 123 | D | 76.6 | Confident | 76.6 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 176.5 | -157.8 | 33.7 | 0 | 0 | 0 | 111.6 | V119 F120 I121 L125 A126 N127 N158 | V119-D123 WeakPolarHBondContact O-CB 3.38Å; V119-D123 PolarHBondContact O-N 2.59Å; F120-D123 PolarHBondContact O-N 3.49Å; I121-D123 VanDerWaalsContact C-N 3.28Å; I121-D123 PolarHBondContact O-N 3.09Å; D123-L125 VanDerWaalsContact C-N 3.28Å; D123-L125 PolarHBondContact O-N 2.66Å; D123-A126 WeakPolarHBondContact O-CB 3.41Å; D123-A126 PolarHBondContact O-N 3.1Å; D123-N127 PolarHBondContact O-N 2.99Å; D123-N158 PolarHBondContact OD1-ND2 3.2Å |
| 124 | S | 77.9 | Confident | 76.6 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.028 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 172.3 | -65.9 | 0 | 0 | 0 | 0 | 113 | V81 T85 M98 F120 I121 N127 | V81-S124 WeakPolarHBondContact CG1-OG 3.35Å; T85-S124 WeakPolarHBondContact OG1-CB 3.15Å; T85-S124 PolarHBondContact OG1-OG 3.12Å; M98-S124 WeakPolarHBondContact CE-O 3.45Å; F120-S124 PolarHBondContact O-N 3.39Å; F120-S124 PolarHBondContact O-OG 3.41Å; I121-S124 PolarHBondContact O-N 3.22Å; S124-N127 PolarHBondContact O-N 2.75Å |
| 125 | L | 78.2 | Confident | 76.2 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.9 | -27.9 | 174.2 | -70.3 | 173.3 | 0 | 0 | 0 | 112.5 | M98 V103 L106 L107 I121 L122 D123 N127 Y128 | M98-L125 HydrophobicContact CE-CD2 4.05Å; V103-L125 HydrophobicContact CB-CD2 4.45Å; V103-L125 HydrophobicContact CG1-CD2 3.88Å; V103-L125 HydrophobicContact CG2-CD2 4.19Å; L106-L125 HydrophobicContact CD1-CD2 4.45Å; L107-L125 HydrophobicContact CD2-CD1 3.95Å; I121-L125 HydrophobicContact CG2-CD1 3.92Å; I121-L125 HydrophobicContact CG2-CG 4.32Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 2.95Å; L122-L125 PolarHBondContact O-N 3.47Å; D123-L125 VanDerWaalsContact C-N 3.28Å; D123-L125 PolarHBondContact O-N 2.66Å; L125-N127 PolarHBondContact O-N 3.31Å; L125-Y128 VanDerWaalsContact O-CB 3.27Å; L125-Y128 WeakPolarHBondContact O-CB 3.35Å; L125-Y128 PolarHBondContact O-N 3.15Å; L125-Y128 VanDerWaalsContact O-N 3.1Å |
| 126 | A | 73 | Confident | 76.2 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -23.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L122 D123 N158 L162 | L122-A126 PolarHBondContact O-N 2.98Å; D123-A126 WeakPolarHBondContact O-CB 3.41Å; D123-A126 PolarHBondContact O-N 3.1Å; A126-N158 HydrophobicContact CB-CB 4.14Å; A126-L162 HydrophobicContact CB-CB 4.46Å; A126-L162 WeakPolarHBondContact O-CD1 3.49Å |
| 127 | N | 71.3 | Confident | 76.1 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -0.3 | 173.4 | -73.9 | -38.1 | 0 | 0 | 0 | 113.3 | E89 D123 S124 L125 | E89-N127 PolarHBondContact OE1-ND2 2.8Å; D123-N127 PolarHBondContact O-N 2.99Å; S124-N127 PolarHBondContact O-N 2.75Å; L125-N127 PolarHBondContact O-N 3.31Å |
| 128 | Y | 74.2 | Confident | 76 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 6% | 0.059 | 28% | 0.281 | C | S | . | . | trans | -88 | 133.1 | -179.6 | -170.4 | -123.4 | 0 | 0 | 0 | 112.6 | M98 S100 V103 L125 P130 E135 | M98-Y128 HydrophobicContact CB-CD2 3.82Å; M98-Y128 HydrophobicContact CB-CE2 4.13Å; M98-Y128 HydrophobicContact CE-CD1 4.35Å; M98-Y128 HydrophobicContact CE-CD2 3.49Å; M98-Y128 VanDerWaalsContact CE-CD2 3.49Å; M98-Y128 HydrophobicContact CE-CE2 4.46Å; M98-Y128 HydrophobicContact CE-CG 3.42Å; M98-Y128 VanDerWaalsContact CE-CG 3.42Å; M98-Y128 HydrophobicContact CG-CD2 4.02Å; M98-Y128 HydrophobicContact CG-CE2 4.23Å; M98-Y128 WeakPolarHBondContact O-CE2 3.4Å; S100-Y128 PolarHBondContact OG-OH 3.21Å; V103-Y128 HydrophobicContact CG2-CD1 3.9Å; V103-Y128 HydrophobicContact CG2-CD2 4.31Å; V103-Y128 HydrophobicContact CG2-CE1 3.67Å; V103-Y128 HydrophobicContact CG2-CE2 4.11Å; V103-Y128 HydrophobicContact CG2-CG 4.22Å; L125-Y128 VanDerWaalsContact O-CB 3.27Å; L125-Y128 WeakPolarHBondContact O-CB 3.35Å; L125-Y128 PolarHBondContact O-N 3.15Å; L125-Y128 VanDerWaalsContact O-N 3.1Å; Y128-P130 HydrophobicContact CE1-CB 4.2Å; Y128-E135 HydrophobicContact CE1-CG 4.24Å; Y128-E135 PolarHBondContact OH-OE1 3.37Å; Y128-E135 VanDerWaalsContact OH-OE1 3.06Å; Y128-E135 PolarHBondContact OH-OE2 3.23Å | ||
| 129 | V | 72 | Confident | 75.6 | Confident | 97 Ų | 97 | 60 Ų | 60 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | trans | -96.8 | 111.1 | 167.4 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 130 | P | 72.2 | Confident | 75.3 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | trans | -65.4 | 149.1 | 178.8 | 30.5 | -37.8 | 0 | 0 | 0 | 111.2 | Y128 E135 A136 M166 | Y128-P130 HydrophobicContact CE1-CB 4.2Å; P130-E135 HydrophobicContact CB-CB 4.18Å; P130-E135 HydrophobicContact CB-CG 4.15Å; P130-A136 HydrophobicContact CB-CB 3.96Å; P130-A136 HydrophobicContact CG-CB 3.58Å; P130-M166 HydrophobicContact CB-CE 4.44Å; P130-M166 HydrophobicContact CG-CE 3.56Å; P130-M166 HydrophobicContact CG-SD 3.51Å; P130-M166 VanDerWaalsContact CG-SD 3.51Å | ||
| 131 | R | 73.7 | Confident | 75 | Confident | 176 Ų | 176 | 61.4 Ų | 61.4 | 66% | 0.664 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -84.5 | -29.9 | -177.3 | -65.4 | -179.8 | 177.4 | -168.3 | -3 | 113.1 | E135 | R131-E135 PolarHBondContact N-OE2 3.11Š|
| 132 | D | 75.2 | Confident | 74.6 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -136 | 160.2 | -178.3 | 69.2 | 32.8 | 0 | 0 | 0 | 111.9 | R134 E135 A136 | D132-R134 PolarHBondContact O-N 3.38Å; D132-R134 PolarHBondContact OD1-N 3.38Å; D132-R134 VanDerWaalsContact OD1-N 3.13Å; D132-E135 PolarHBondContact O-N 3.13Å; D132-E135 WeakPolarHBondContact OD1-CB 3.28Å; D132-E135 PolarHBondContact OD1-N 2.83Å; D132-A136 WeakPolarHBondContact O-CB 3.46Å; D132-A136 PolarHBondContact O-N 3.34Å |
| 133 | E | 77.4 | Confident | 74.1 | Confident | 118 Ų | 118 | 63.1 Ų | 63.1 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.5 | -30.7 | 179.1 | 174.1 | 176.5 | -170 | 0 | 0 | 112.1 | Q137 L170 | E133-Q137 HydrophobicContact CG-CG 4.34Å; E133-Q137 VanDerWaalsContact O-CB 3.31Å; E133-Q137 WeakPolarHBondContact O-CB 3.44Å; E133-Q137 WeakPolarHBondContact O-CG 3.24Å; E133-Q137 PolarHBondContact O-N 3.46Å; E133-Q137 PolarHBondContact OE1-NE2 3.11Å; E133-Q137 VanDerWaalsContact OE1-NE2 3.14Å; E133-L170 HydrophobicContact CB-CD2 4.35Å; E133-L170 HydrophobicContact CG-CD2 3.73Å |
| 134 | R | 78.2 | Confident | 73.7 | Confident | 190 Ų | 190 | 63.7 Ų | 63.7 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -73.2 | -39.8 | -178.2 | -66 | -179.9 | 177.3 | -177.2 | -0.5 | 111.6 | D132 R138 | D132-R134 PolarHBondContact O-N 3.38Å; D132-R134 PolarHBondContact OD1-N 3.38Å; D132-R134 VanDerWaalsContact OD1-N 3.13Å; R134-R138 WeakPolarHBondContact O-CB 3.24Å; R134-R138 VanDerWaalsContact O-CG 3.27Å; R134-R138 WeakPolarHBondContact O-CG 3.48Å; R134-R138 PolarHBondContact O-N 3.48Å |
| 135 | E | 74.3 | Confident | 73.3 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -44 | 174.7 | -170.2 | 176 | -138.7 | 0 | 0 | 109.6 | S100 Y128 P130 R131 D132 Q137 R138 C139 | S100-E135 WeakPolarHBondContact CA-OE1 3.32Å; S100-E135 WeakPolarHBondContact CB-OE1 3.36Å; S100-E135 PolarHBondContact OG-OE1 3.22Å; Y128-E135 HydrophobicContact CE1-CG 4.24Å; Y128-E135 PolarHBondContact OH-OE1 3.37Å; Y128-E135 VanDerWaalsContact OH-OE1 3.06Å; Y128-E135 PolarHBondContact OH-OE2 3.23Å; P130-E135 HydrophobicContact CB-CB 4.18Å; P130-E135 HydrophobicContact CB-CG 4.15Å; R131-E135 PolarHBondContact N-OE2 3.11Å; D132-E135 PolarHBondContact O-N 3.13Å; D132-E135 WeakPolarHBondContact OD1-CB 3.28Å; D132-E135 PolarHBondContact OD1-N 2.83Å; E135-Q137 PolarHBondContact O-N 3.18Å; E135-R138 PolarHBondContact O-N 3.16Å; E135-C139 PolarHBondContact O-N 3.04Å; E135-C139 PolarHBondContact O-SG 3.49Å; E135-C139 VanDerWaalsContact O-SG 3.38Å |
| 136 | A | 73.7 | Confident | 72.6 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.3 | -51.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | P130 D132 R138 C139 C140 M166 | P130-A136 HydrophobicContact CB-CB 3.96Å; P130-A136 HydrophobicContact CG-CB 3.58Å; D132-A136 WeakPolarHBondContact O-CB 3.46Å; D132-A136 PolarHBondContact O-N 3.34Å; A136-R138 PolarHBondContact O-N 2.91Å; A136-C139 PolarHBondContact O-N 3.04Å; A136-C140 WeakPolarHBondContact O-CB 3.48Å; A136-C140 PolarHBondContact O-N 3.38Å; A136-C140 PolarHBondContact O-SG 3.12Å; A136-M166 HydrophobicContact CB-SD 3.6Å; A136-M166 VanDerWaalsContact CB-SD 3.6Å |
| 137 | Q | 75.8 | Confident | 72.1 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 177.6 | -77.1 | 172.4 | 0.6 | 0 | 0 | 112.1 | E133 E135 C140 I141 | E133-Q137 HydrophobicContact CG-CG 4.34Å; E133-Q137 VanDerWaalsContact O-CB 3.31Å; E133-Q137 WeakPolarHBondContact O-CB 3.44Å; E133-Q137 WeakPolarHBondContact O-CG 3.24Å; E133-Q137 PolarHBondContact O-N 3.46Å; E133-Q137 PolarHBondContact OE1-NE2 3.11Å; E133-Q137 VanDerWaalsContact OE1-NE2 3.14Å; E135-Q137 PolarHBondContact O-N 3.18Å; Q137-C140 PolarHBondContact O-N 3.41Å; Q137-I141 WeakPolarHBondContact O-CB 3.32Å; Q137-I141 WeakPolarHBondContact O-CD1 3.33Å; Q137-I141 WeakPolarHBondContact O-CG1 3.36Å; Q137-I141 PolarHBondContact O-N 3.01Å |
| 138 | R | 75.1 | Confident | 71.7 | Confident | 152 Ų | 152 | 77.4 Ų | 77.4 | 57% | 0.574 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.1 | -48.2 | 177.2 | -77 | 174.1 | -176 | -170.8 | 1.9 | 111.9 | R134 E135 A136 I141 V142 | R134-R138 WeakPolarHBondContact O-CB 3.24Å; R134-R138 VanDerWaalsContact O-CG 3.27Å; R134-R138 WeakPolarHBondContact O-CG 3.48Å; R134-R138 PolarHBondContact O-N 3.48Å; E135-R138 PolarHBondContact O-N 3.16Å; A136-R138 PolarHBondContact O-N 2.91Å; R138-I141 PolarHBondContact O-N 2.98Å; R138-V142 VanDerWaalsContact O-CG2 3.27Å; R138-V142 WeakPolarHBondContact O-CG2 3.4Å; R138-V142 PolarHBondContact O-N 3.41Å |
| 139 | C | 72.7 | Confident | 71 | Confident | 3 Ų | 3 | 81.6 Ų | 81.6 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 176.4 | -70 | 0 | 0 | 0 | 0 | 110.9 | E135 A136 I141 V142 I143 M166 | E135-C139 PolarHBondContact O-N 3.04Å; E135-C139 PolarHBondContact O-SG 3.49Å; E135-C139 VanDerWaalsContact O-SG 3.38Å; A136-C139 PolarHBondContact O-N 3.04Å; C139-I141 PolarHBondContact O-N 3.43Å; C139-V142 PolarHBondContact O-N 3.39Å; C139-I143 VanDerWaalsContact O-CB 3.31Å; C139-I143 WeakPolarHBondContact O-CB 3.08Å; C139-I143 WeakPolarHBondContact O-CD1 3.5Å; C139-I143 WeakPolarHBondContact O-CG1 3.46Å; C139-I143 PolarHBondContact O-N 3.35Å; C139-M166 HydrophobicContact CB-CE 4.27Å |
| 140 | C | 71.5 | Confident | 70.3 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 177 | -73.4 | 0 | 0 | 0 | 0 | 112.7 | A136 Q137 V142 I143 L144 | A136-C140 WeakPolarHBondContact O-CB 3.48Å; A136-C140 PolarHBondContact O-N 3.38Å; A136-C140 PolarHBondContact O-SG 3.12Å; Q137-C140 PolarHBondContact O-N 3.41Å; C140-V142 VanDerWaalsContact C-N 3.33Å; C140-V142 PolarHBondContact O-N 3.33Å; C140-I143 PolarHBondContact O-N 3.11Å; C140-L144 VanDerWaalsContact O-CB 3.28Å; C140-L144 WeakPolarHBondContact O-CB 3.44Å; C140-L144 WeakPolarHBondContact O-CD1 3.28Å; C140-L144 WeakPolarHBondContact O-CG 3.06Å; C140-L144 PolarHBondContact O-N 3.29Å |
| 141 | I | 72.7 | Confident | 69.5 | Low | 113 Ų | 113 | 88.3 Ų | 88.3 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 179.3 | -71.5 | 163.4 | 0 | 0 | 0 | 110.7 | Q137 R138 C139 L144 Y145 | Q137-I141 WeakPolarHBondContact O-CB 3.32Å; Q137-I141 WeakPolarHBondContact O-CD1 3.33Å; Q137-I141 WeakPolarHBondContact O-CG1 3.36Å; Q137-I141 PolarHBondContact O-N 3.01Å; R138-I141 PolarHBondContact O-N 2.98Å; C139-I141 PolarHBondContact O-N 3.43Å; I141-L144 PolarHBondContact O-N 3.08Å; I141-Y145 WeakPolarHBondContact O-CB 3.36Å; I141-Y145 PolarHBondContact O-N 3.27Å |
| 142 | V | 72.2 | Confident | 68.6 | Low | 36 Ų | 36 | 81.7 Ų | 81.7 | 22% | 0.218 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 179.3 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L107 L110 R138 C139 C140 L144 Y145 F146 | L107-V142 HydrophobicContact CD2-CB 4.18Å; L107-V142 HydrophobicContact CD2-CG1 3.87Å; L107-V142 HydrophobicContact CD2-CG2 4.01Å; L110-V142 HydrophobicContact CD2-CG1 3.27Å; R138-V142 VanDerWaalsContact O-CG2 3.27Å; R138-V142 WeakPolarHBondContact O-CG2 3.4Å; R138-V142 PolarHBondContact O-N 3.41Å; C139-V142 PolarHBondContact O-N 3.39Å; C140-V142 VanDerWaalsContact C-N 3.33Å; C140-V142 PolarHBondContact O-N 3.33Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-L144 PolarHBondContact O-N 3.34Å; V142-Y145 WeakPolarHBondContact O-CB 3.35Å; V142-Y145 PolarHBondContact O-N 3.17Å; V142-F146 HydrophobicContact CG1-CD2 3.98Å; V142-F146 HydrophobicContact CG1-CE2 4.05Å; V142-F146 VanDerWaalsContact O-CD2 3.31Å; V142-F146 WeakPolarHBondContact O-CD2 3.47Å; V142-F146 PolarHBondContact O-N 3.35Å; V142-F146 VanDerWaalsContact O-N 3.09Å |
| 143 | I | 68.4 | Low | 67.6 | Low | 3 Ų | 3 | 84.3 Ų | 84.3 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 179 | -71.9 | 167.4 | 0 | 0 | 0 | 111.3 | L122 C139 C140 F146 F147 V159 L162 | L122-I143 HydrophobicContact CD2-CG1 3.91Å; C139-I143 VanDerWaalsContact O-CB 3.31Å; C139-I143 WeakPolarHBondContact O-CB 3.08Å; C139-I143 WeakPolarHBondContact O-CD1 3.5Å; C139-I143 WeakPolarHBondContact O-CG1 3.46Å; C139-I143 PolarHBondContact O-N 3.35Å; C140-I143 PolarHBondContact O-N 3.11Å; I143-F146 PolarHBondContact O-N 3.33Å; I143-F147 WeakPolarHBondContact O-CB 3.5Å; I143-F147 PolarHBondContact O-N 3.1Å; I143-V159 HydrophobicContact CG2-CB 3.92Å; I143-V159 HydrophobicContact CG2-CG1 3.17Å; I143-V159 HydrophobicContact CG2-CG2 3.46Å; I143-V159 VanDerWaalsContact CG2-CG2 3.46Å; I143-L162 HydrophobicContact CD1-CD2 3.26Å |
| 144 | L | 67.4 | Low | 66.5 | Low | 75 Ų | 75 | 83.5 Ų | 83.5 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.7 | -74.8 | 164.6 | 0 | 0 | 0 | 111.2 | C140 I141 V142 F146 F147 F148 | C140-L144 VanDerWaalsContact O-CB 3.28Å; C140-L144 WeakPolarHBondContact O-CB 3.44Å; C140-L144 WeakPolarHBondContact O-CD1 3.28Å; C140-L144 WeakPolarHBondContact O-CG 3.06Å; C140-L144 PolarHBondContact O-N 3.29Å; I141-L144 PolarHBondContact O-N 3.08Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-L144 PolarHBondContact O-N 3.34Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-F146 PolarHBondContact O-N 2.99Å; L144-F147 PolarHBondContact O-N 2.77Å; L144-F148 HydrophobicContact CD2-CE2 4.11Å; L144-F148 WeakPolarHBondContact O-CD2 3.22Å; L144-F148 PolarHBondContact O-N 3.46Å |
| 145 | Y | 69.9 | Low | 65.3 | Low | 143 Ų | 143 | 75.3 Ų | 75.3 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.7 | -47 | 178.8 | -179.7 | -95 | 0 | 0 | 0 | 111.9 | I141 V142 F148 L149 | I141-Y145 WeakPolarHBondContact O-CB 3.36Å; I141-Y145 PolarHBondContact O-N 3.27Å; V142-Y145 WeakPolarHBondContact O-CB 3.35Å; V142-Y145 PolarHBondContact O-N 3.17Å; Y145-F148 PolarHBondContact O-N 3.39Å; Y145-L149 HydrophobicContact CD1-CD1 3.9Å; Y145-L149 HydrophobicContact CD2-CD1 3.68Å; Y145-L149 HydrophobicContact CE1-CD1 3.45Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.45Å; Y145-L149 HydrophobicContact CE2-CD1 3.21Å; Y145-L149 HydrophobicContact CG-CD1 4.01Å; Y145-L149 WeakPolarHBondContact O-CB 3.08Å; Y145-L149 PolarHBondContact O-N 2.92Å; Y145-L149 WeakPolarHBondContact OH-CD1 3.35Å |
| 146 | F | 65.1 | Low | 64.3 | Low | 15 Ų | 15 | 76.4 Ų | 76.4 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70 | -36.7 | 177.9 | -80.8 | -79.9 | 0 | 0 | 0 | 113 | L110 Q118 L122 V142 I143 L144 F148 L149 E150 | L110-F146 HydrophobicContact CD1-CE2 4.45Å; L110-F146 HydrophobicContact CD1-CZ 4.47Å; L110-F146 HydrophobicContact CD2-CD2 3.78Å; L110-F146 HydrophobicContact CD2-CE2 3.29Å; L110-F146 HydrophobicContact CD2-CZ 3.96Å; L110-F146 HydrophobicContact CG-CD2 4.37Å; L110-F146 HydrophobicContact CG-CE2 3.63Å; L110-F146 HydrophobicContact CG-CZ 3.75Å; Q118-F146 VanDerWaalsContact CD-CE1 3.42Å; Q118-F146 HydrophobicContact CG-CE1 4.28Å; L122-F146 HydrophobicContact CD1-CB 3.95Å; L122-F146 HydrophobicContact CD1-CG 4.23Å; V142-F146 HydrophobicContact CG1-CD2 3.98Å; V142-F146 HydrophobicContact CG1-CE2 4.05Å; V142-F146 VanDerWaalsContact O-CD2 3.31Å; V142-F146 WeakPolarHBondContact O-CD2 3.47Å; V142-F146 PolarHBondContact O-N 3.35Å; V142-F146 VanDerWaalsContact O-N 3.09Å; I143-F146 PolarHBondContact O-N 3.33Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-F146 PolarHBondContact O-N 2.99Å; F146-F148 VanDerWaalsContact C-N 3.29Å; F146-F148 PolarHBondContact O-N 3.07Å; F146-L149 PolarHBondContact O-N 3.03Å; F146-E150 PolarHBondContact O-N 3.38Å |
| 147 | F | 62.2 | Low | 63.5 | Low | 83 Ų | 83 | 81 Ų | 81 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 175.2 | -173.9 | -91.7 | 0 | 0 | 0 | 112.4 | I143 L144 C156 V159 | I143-F147 WeakPolarHBondContact O-CB 3.5Å; I143-F147 PolarHBondContact O-N 3.1Å; L144-F147 PolarHBondContact O-N 2.77Å; F147-C156 HydrophobicContact CE2-CB 4.21Å; F147-C156 WeakPolarHBondContact CE2-SG 3.37Å; F147-V159 HydrophobicContact CD2-CG1 4.4Å |
| 148 | F | 61.5 | Low | 62.5 | Low | 161 Ų | 161 | 80.3 Ų | 80.3 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -84 | -21.8 | -176.7 | -83.3 | -72.1 | 0 | 0 | 0 | 114.8 | L144 Y145 F146 | L144-F148 HydrophobicContact CD2-CE2 4.11Å; L144-F148 WeakPolarHBondContact O-CD2 3.22Å; L144-F148 PolarHBondContact O-N 3.46Å; Y145-F148 PolarHBondContact O-N 3.39Å; F146-F148 VanDerWaalsContact C-N 3.29Å; F146-F148 PolarHBondContact O-N 3.07Å |
| 149 | L | 60.5 | Low | 61.6 | Low | 104 Ų | 104 | 73.4 Ų | 73.4 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -103.4 | -31.1 | -170.7 | -75.6 | 171.2 | 0 | 0 | 0 | 115.6 | Y145 F146 | Y145-L149 HydrophobicContact CD1-CD1 3.9Å; Y145-L149 HydrophobicContact CD2-CD1 3.68Å; Y145-L149 HydrophobicContact CE1-CD1 3.45Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.45Å; Y145-L149 HydrophobicContact CE2-CD1 3.21Å; Y145-L149 HydrophobicContact CG-CD1 4.01Å; Y145-L149 WeakPolarHBondContact O-CB 3.08Å; Y145-L149 PolarHBondContact O-N 2.92Å; Y145-L149 WeakPolarHBondContact OH-CD1 3.35Å; F146-L149 PolarHBondContact O-N 3.03Å |
| 150 | E | 56 | Low | 61 | Low | 75 Ų | 75 | 76.8 Ų | 76.8 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -112.6 | 9.5 | -164.6 | -65 | -143.6 | 162 | 0 | 0 | 116.1 | Q118 F146 I152 | Q118-E150 PolarHBondContact OE1-OE2 3.25Å; F146-E150 PolarHBondContact O-N 3.38Å; E150-I152 HydrophobicContact CB-CD1 3.93Å; E150-I152 HydrophobicContact CB-CG1 3.75Å; E150-I152 WeakPolarHBondContact O-CG1 3.47Å; E150-I152 PolarHBondContact O-N 3.38Å |
| 151 | E | 56.2 | Low | 60.5 | Low | 181 Ų | 181 | 79.7 Ų | 79.7 | 85% | 0.846 | 42% | 0.419 | S | S | * | . | trans | 48.8 | 26.9 | -179.3 | -70.1 | -167 | 160.3 | 0 | 0 | 114.3 | I153 | E151-I153 VanDerWaalsContact C-N 3.31Å; E151-I153 PolarHBondContact O-N 3.29Å | ||
| 152 | I | 55.3 | Low | 60 | Low | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.195 | 40% | 0.395 | C | S | . | . | trans | -79.3 | 83.3 | -178.5 | -51.4 | -178.6 | 0 | 0 | 0 | 109.5 | V119 E150 S154 V155 | V119-I152 HydrophobicContact CG2-CD1 4.02Å; V119-I152 HydrophobicContact CG2-CG2 3.65Å; E150-I152 HydrophobicContact CB-CD1 3.93Å; E150-I152 HydrophobicContact CB-CG1 3.75Å; E150-I152 WeakPolarHBondContact O-CG1 3.47Å; E150-I152 PolarHBondContact O-N 3.38Å; I152-S154 PolarHBondContact O-N 2.83Å; I152-S154 VanDerWaalsContact O-N 3.11Å; I152-V155 HydrophobicContact CB-CG2 4.25Å; I152-V155 HydrophobicContact CG2-CB 4.46Å; I152-V155 HydrophobicContact CG2-CG2 3.65Å; I152-V155 PolarHBondContact O-N 3.24Å; I152-V155 VanDerWaalsContact O-N 3.16Å | ||
| 153 | I | 53.6 | Low | 59.6 | Low | 142 Ų | 142 | 75.1 Ų | 75.1 | 73% | 0.728 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -56.3 | -29.3 | -177.2 | -64.7 | 165 | 0 | 0 | 0 | 112.6 | E151 V155 C156 | E151-I153 VanDerWaalsContact C-N 3.31Å; E151-I153 PolarHBondContact O-N 3.29Å; I153-V155 PolarHBondContact O-N 3.49Å; I153-C156 WeakPolarHBondContact O-CB 3.42Å; I153-C156 PolarHBondContact O-N 3.12Å; I153-C156 PolarHBondContact O-SG 2.93Å; I153-C156 VanDerWaalsContact O-SG 3.39Å |
| 154 | S | 54 | Low | 59.3 | Low | 102 Ų | 102 | 83.9 Ų | 83.9 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.7 | -177.9 | -168.4 | 0 | 0 | 0 | 0 | 113.6 | I152 C156 | I152-S154 PolarHBondContact O-N 2.83Å; I152-S154 VanDerWaalsContact O-N 3.11Å; S154-C156 VanDerWaalsContact C-N 3.3Å |
| 155 | V | 53.6 | Low | 59.2 | Low | 17 Ų | 17 | 85.4 Ų | 85.4 | 10% | 0.103 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -80.5 | -17.4 | -176.5 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | V119 L122 I152 I153 V157 V159 | V119-V155 HydrophobicContact CG1-CG2 4.18Å; V119-V155 HydrophobicContact CG2-CG2 4.23Å; L122-V155 HydrophobicContact CD1-CG1 4.49Å; I152-V155 HydrophobicContact CB-CG2 4.25Å; I152-V155 HydrophobicContact CG2-CB 4.46Å; I152-V155 HydrophobicContact CG2-CG2 3.65Å; I152-V155 PolarHBondContact O-N 3.24Å; I152-V155 VanDerWaalsContact O-N 3.16Å; I153-V155 PolarHBondContact O-N 3.49Å; V155-V157 VanDerWaalsContact C-N 3.29Å; V155-V157 PolarHBondContact O-N 3.3Å; V155-V157 VanDerWaalsContact O-N 3.12Å; V155-V159 HydrophobicContact CG1-CB 3.91Å; V155-V159 HydrophobicContact CG1-CG2 3.19Å; V155-V159 VanDerWaalsContact O-CB 3.3Å; V155-V159 WeakPolarHBondContact O-CB 3.36Å; V155-V159 PolarHBondContact O-N 3.21Å; V155-V159 VanDerWaalsContact O-N 3.08Å |
| 156 | C | 53.2 | Low | 58.8 | Low | 41 Ų | 41 | 78.9 Ų | 78.9 | 28% | 0.277 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -55.2 | -35.9 | -172.1 | -70.8 | 0 | 0 | 0 | 0 | 114.7 | F147 I153 S154 C160 | F147-C156 HydrophobicContact CE2-CB 4.21Å; F147-C156 WeakPolarHBondContact CE2-SG 3.37Å; I153-C156 WeakPolarHBondContact O-CB 3.42Å; I153-C156 PolarHBondContact O-N 3.12Å; I153-C156 PolarHBondContact O-SG 2.93Å; I153-C156 VanDerWaalsContact O-SG 3.39Å; S154-C156 VanDerWaalsContact C-N 3.3Å; C156-C160 VanDerWaalsContact O-CB 3.24Å; C156-C160 WeakPolarHBondContact O-CB 3.46Å; C156-C160 PolarHBondContact O-N 3.45Å; C156-C160 PolarHBondContact O-SG 3.26Å |
| 157 | V | 57.2 | Low | 58.6 | Low | 105 Ų | 105 | 83.1 Ų | 83.1 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -79.2 | -52.5 | -173.3 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | V155 V159 C160 C161 | V155-V157 VanDerWaalsContact C-N 3.29Å; V155-V157 PolarHBondContact O-N 3.3Å; V155-V157 VanDerWaalsContact O-N 3.12Å; V157-V159 PolarHBondContact O-N 2.99Å; V157-C160 PolarHBondContact O-N 3.29Å; V157-C161 PolarHBondContact O-N 2.93Å; V157-C161 VanDerWaalsContact O-N 3.15Å |
| 158 | N | 54.7 | Low | 58.7 | Low | 76 Ų | 76 | 82.6 Ų | 82.6 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.5 | -35 | -176.9 | -69.8 | -3.8 | 0 | 0 | 0 | 111.7 | D123 A126 C161 L162 | D123-N158 PolarHBondContact OD1-ND2 3.2Å; A126-N158 HydrophobicContact CB-CB 4.14Å; N158-C161 WeakPolarHBondContact O-CB 3.07Å; N158-C161 PolarHBondContact O-N 3.47Å; N158-L162 PolarHBondContact O-N 3.45Å |
| 159 | V | 56.2 | Low | 58.7 | Low | 6 Ų | 6 | 79.9 Ų | 79.9 | 4% | 0.036 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70.6 | -38.2 | 175.3 | 160 | 0 | 0 | 0 | 0 | 112.8 | I143 F147 V155 V157 C161 L162 V163 | I143-V159 HydrophobicContact CG2-CB 3.92Å; I143-V159 HydrophobicContact CG2-CG1 3.17Å; I143-V159 HydrophobicContact CG2-CG2 3.46Å; I143-V159 VanDerWaalsContact CG2-CG2 3.46Å; F147-V159 HydrophobicContact CD2-CG1 4.4Å; V155-V159 HydrophobicContact CG1-CB 3.91Å; V155-V159 HydrophobicContact CG1-CG2 3.19Å; V155-V159 VanDerWaalsContact O-CB 3.3Å; V155-V159 WeakPolarHBondContact O-CB 3.36Å; V155-V159 PolarHBondContact O-N 3.21Å; V155-V159 VanDerWaalsContact O-N 3.08Å; V157-V159 PolarHBondContact O-N 2.99Å; V159-C161 VanDerWaalsContact C-N 3.27Å; V159-C161 PolarHBondContact O-N 3.03Å; V159-L162 PolarHBondContact O-N 2.86Å; V159-V163 HydrophobicContact CG1-CG2 4.19Å; V159-V163 WeakPolarHBondContact O-CB 3.34Å; V159-V163 WeakPolarHBondContact O-CG2 3.23Å; V159-V163 PolarHBondContact O-N 3.4Å |
| 160 | C | 58.9 | Low | 58.5 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 172.6 | -77.6 | 0 | 0 | 0 | 0 | 111.1 | C156 V157 W164 | C156-C160 VanDerWaalsContact O-CB 3.24Å; C156-C160 WeakPolarHBondContact O-CB 3.46Å; C156-C160 PolarHBondContact O-N 3.45Å; C156-C160 PolarHBondContact O-SG 3.26Å; V157-C160 PolarHBondContact O-N 3.29Å; C160-W164 VanDerWaalsContact O-CB 3.28Å; C160-W164 WeakPolarHBondContact O-CB 3.35Å; C160-W164 PolarHBondContact O-N 2.81Å |
| 161 | C | 62.5 | Low | 58.5 | Low | 84 Ų | 84 | 82.6 Ų | 82.6 | 57% | 0.568 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 174.9 | -75.7 | 0 | 0 | 0 | 0 | 112.3 | V157 N158 V159 W164 H165 | V157-C161 PolarHBondContact O-N 2.93Å; V157-C161 VanDerWaalsContact O-N 3.15Å; N158-C161 WeakPolarHBondContact O-CB 3.07Å; N158-C161 PolarHBondContact O-N 3.47Å; V159-C161 VanDerWaalsContact C-N 3.27Å; V159-C161 PolarHBondContact O-N 3.03Å; C161-W164 PolarHBondContact O-N 2.96Å; C161-H165 WeakPolarHBondContact O-CB 3.5Å; C161-H165 PolarHBondContact O-N 3.49Å |
| 162 | L | 61.4 | Low | 58.6 | Low | 13 Ų | 13 | 77.7 Ų | 77.7 | 7% | 0.068 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 179 | -166.3 | 83.8 | 0 | 0 | 0 | 111.8 | A126 I143 N158 V159 W164 H165 M166 | A126-L162 HydrophobicContact CB-CB 4.46Å; A126-L162 WeakPolarHBondContact O-CD1 3.49Å; I143-L162 HydrophobicContact CD1-CD2 3.26Å; N158-L162 PolarHBondContact O-N 3.45Å; V159-L162 PolarHBondContact O-N 2.86Å; L162-W164 VanDerWaalsContact C-N 3.27Å; L162-W164 PolarHBondContact O-N 3.43Å; L162-H165 PolarHBondContact O-N 3.26Å; L162-H165 VanDerWaalsContact O-N 3.17Å; L162-M166 HydrophobicContact CD1-CE 4.14Å; L162-M166 HydrophobicContact CD2-CE 3.71Å; L162-M166 HydrophobicContact CG-CE 3.95Å; L162-M166 HydrophobicContact CG-CG 4.13Å; L162-M166 WeakPolarHBondContact O-CB 3.24Å; L162-M166 WeakPolarHBondContact O-CG 3.46Å; L162-M166 PolarHBondContact O-N 3.18Å |
| 163 | V | 63.5 | Low | 58.8 | Low | 39 Ų | 39 | 79.8 Ų | 79.8 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | V159 L167 | V159-V163 HydrophobicContact CG1-CG2 4.19Å; V159-V163 WeakPolarHBondContact O-CB 3.34Å; V159-V163 WeakPolarHBondContact O-CG2 3.23Å; V159-V163 PolarHBondContact O-N 3.4Å; V163-L167 HydrophobicContact CG1-CD1 3.81Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CB 3.38Å; V163-L167 WeakPolarHBondContact O-CD1 3.5Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.09Å |
| 164 | W | 61.9 | Low | 59.1 | Low | 187 Ų | 187 | 76.3 Ų | 76.3 | 71% | 0.708 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.8 | -47.3 | 174.3 | -170 | -86.6 | 0 | 0 | 0 | 112 | C160 C161 L162 M166 L167 T168 | C160-W164 VanDerWaalsContact O-CB 3.28Å; C160-W164 WeakPolarHBondContact O-CB 3.35Å; C160-W164 PolarHBondContact O-N 2.81Å; C161-W164 PolarHBondContact O-N 2.96Å; L162-W164 VanDerWaalsContact C-N 3.27Å; L162-W164 PolarHBondContact O-N 3.43Å; W164-M166 PolarHBondContact O-N 3.11Å; W164-L167 PolarHBondContact O-N 2.92Å; W164-T168 PolarHBondContact O-N 2.76Å; W164-T168 PolarHBondContact O-OG1 3.26Å; W164-T168 VanDerWaalsContact O-OG1 3.14Å |
| 165 | H | 65.5 | Low | 59.4 | Low | 108 Ų | 108 | 74.8 Ų | 74.8 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 179.9 | -155.2 | 108.3 | 0 | 0 | 0 | 112.3 | C161 L162 T168 L169 | C161-H165 WeakPolarHBondContact O-CB 3.5Å; C161-H165 PolarHBondContact O-N 3.49Å; L162-H165 PolarHBondContact O-N 3.26Å; L162-H165 VanDerWaalsContact O-N 3.17Å; H165-T168 VanDerWaalsContact C-OG1 3.29Å; H165-T168 VanDerWaalsContact CA-OG1 3.3Å; H165-T168 WeakPolarHBondContact CA-OG1 3.5Å; H165-T168 PolarHBondContact O-N 3.43Å; H165-T168 PolarHBondContact O-OG1 3.07Å; H165-L169 WeakPolarHBondContact O-CG 3.36Å; H165-L169 PolarHBondContact O-N 3.47Å; H165-L169 VanDerWaalsContact O-N 3.14Å |
| 166 | M | 61.9 | Low | 59.8 | Low | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.025 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 175.9 | -67.4 | -92.4 | -169 | 0 | 0 | 111.5 | P130 A136 C139 L162 W164 T168 L169 L170 | P130-M166 HydrophobicContact CB-CE 4.44Å; P130-M166 HydrophobicContact CG-CE 3.56Å; P130-M166 HydrophobicContact CG-SD 3.51Å; P130-M166 VanDerWaalsContact CG-SD 3.51Å; A136-M166 HydrophobicContact CB-SD 3.6Å; A136-M166 VanDerWaalsContact CB-SD 3.6Å; C139-M166 HydrophobicContact CB-CE 4.27Å; L162-M166 HydrophobicContact CD1-CE 4.14Å; L162-M166 HydrophobicContact CD2-CE 3.71Å; L162-M166 HydrophobicContact CG-CE 3.95Å; L162-M166 HydrophobicContact CG-CG 4.13Å; L162-M166 WeakPolarHBondContact O-CB 3.24Å; L162-M166 WeakPolarHBondContact O-CG 3.46Å; L162-M166 PolarHBondContact O-N 3.18Å; W164-M166 PolarHBondContact O-N 3.11Å; M166-T168 VanDerWaalsContact C-N 3.33Å; M166-T168 PolarHBondContact O-N 3.31Å; M166-L169 PolarHBondContact O-N 2.82Å; M166-L169 VanDerWaalsContact O-N 3.17Å; M166-L170 WeakPolarHBondContact O-CG 3.5Å; M166-L170 PolarHBondContact O-N 3.05Å |
| 167 | L | 61.6 | Low | 60.2 | Low | 105 Ų | 105 | 80.9 Ų | 80.9 | 55% | 0.55 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.5 | -75 | 168.4 | 0 | 0 | 0 | 111.8 | V163 W164 L169 L170 S171 | V163-L167 HydrophobicContact CG1-CD1 3.81Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CB 3.38Å; V163-L167 WeakPolarHBondContact O-CD1 3.5Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.09Å; W164-L167 PolarHBondContact O-N 2.92Å; L167-L169 VanDerWaalsContact C-N 3.27Å; L167-L169 PolarHBondContact O-N 3.3Å; L167-L170 PolarHBondContact O-N 3.4Å; L167-S171 PolarHBondContact O-N 2.89Å |
| 168 | T | 64.2 | Low | 60.4 | Low | 71 Ų | 71 | 79.2 Ų | 79.2 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.4 | -21.7 | 174.5 | 47.4 | 0 | 0 | 0 | 0 | 114 | W164 H165 M166 S171 | W164-T168 PolarHBondContact O-N 2.76Å; W164-T168 PolarHBondContact O-OG1 3.26Å; W164-T168 VanDerWaalsContact O-OG1 3.14Å; H165-T168 VanDerWaalsContact C-OG1 3.29Å; H165-T168 VanDerWaalsContact CA-OG1 3.3Å; H165-T168 WeakPolarHBondContact CA-OG1 3.5Å; H165-T168 PolarHBondContact O-N 3.43Å; H165-T168 PolarHBondContact O-OG1 3.07Å; M166-T168 VanDerWaalsContact C-N 3.33Å; M166-T168 PolarHBondContact O-N 3.31Å; T168-S171 PolarHBondContact O-OG 3.21Å |
| 169 | L | 60.4 | Low | 60.9 | Low | 105 Ų | 105 | 79.5 Ų | 79.5 | 55% | 0.55 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -83.4 | -18.6 | 174 | -73.7 | 170.3 | 0 | 0 | 0 | 112.9 | H165 M166 L167 | H165-L169 WeakPolarHBondContact O-CG 3.36Å; H165-L169 PolarHBondContact O-N 3.47Å; H165-L169 VanDerWaalsContact O-N 3.14Å; M166-L169 PolarHBondContact O-N 2.82Å; M166-L169 VanDerWaalsContact O-N 3.17Å; L167-L169 VanDerWaalsContact C-N 3.27Å; L167-L169 PolarHBondContact O-N 3.3Å |
| 170 | L | 55.8 | Low | 61.3 | Low | 87 Ų | 87 | 85.6 Ų | 85.6 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -96.1 | -8.7 | -179.5 | -69.3 | 168.6 | 0 | 0 | 0 | 113.8 | E133 M166 L167 | E133-L170 HydrophobicContact CB-CD2 4.35Å; E133-L170 HydrophobicContact CG-CD2 3.73Å; M166-L170 WeakPolarHBondContact O-CG 3.5Å; M166-L170 PolarHBondContact O-N 3.05Å; L167-L170 PolarHBondContact O-N 3.4Å |
| 171 | S | 57.6 | Low | 61.5 | Low | 149 Ų | 149 | 86.6 Ų | 86.6 | 100% | 1.042 | 47% | 0.467 | S | S | * | . | trans | -101.2 | 0 | 177.7 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | L167 T168 | L167-S171 PolarHBondContact O-N 2.89Å; T168-S171 PolarHBondContact O-OG 3.21Å |
Retrieved 171 of 171 residues in 148.2 ms
(Link to these results)