| 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 | 62.3 | Low | 87.5 | Confident | 167 Ų | 167 | 84.2 Ų | 84.2 | 82% | 0.823 | 47% | 0.467 | S | S | * | . | 0 | -41.6 | 0 | -163 | 161.3 | 56.8 | 0 | 0 | 112.9 | P4 I5 | M1-P4 VanDerWaalsContact O-CD 3.3Å; M1-P4 WeakPolarHBondContact O-CD 3.46Å; M1-I5 HydrophobicContact CG-CD1 4.17Å; M1-I5 WeakPolarHBondContact O-CG1 3.33Å; M1-I5 PolarHBondContact O-N 3.02Å | |||
| 2 | M | 72.1 | Confident | 88.4 | Confident | 97 Ų | 97 | 79.2 Ų | 79.2 | 48% | 0.478 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 178.8 | -79.3 | -86.5 | -80.8 | 0 | 0 | 115.9 | I5 V6 W118 | M2-I5 WeakPolarHBondContact O-CB 3.35Å; M2-I5 PolarHBondContact O-N 3.32Å; M2-I5 VanDerWaalsContact O-N 3.11Å; M2-V6 PolarHBondContact O-N 3.1Å; M2-W118 VanDerWaalsContact CE-CD1 3.46Å; M2-W118 VanDerWaalsContact SD-CD1 3.6Å |
| 3 | V | 70.8 | Confident | 89.2 | Confident | 124 Ų | 124 | 76.8 Ų | 76.8 | 75% | 0.752 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60 | -46.3 | -178 | 174.7 | 0 | 0 | 0 | 0 | 112.6 | I5 V6 G7 | V3-I5 VanDerWaalsContact C-N 3.35Å; V3-I5 PolarHBondContact O-N 2.98Å; V3-V6 PolarHBondContact O-N 3.34Å; V3-G7 PolarHBondContact O-N 3.47Å |
| 4 | P | 87 | Confident | 89.9 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.5 | -44.1 | 170.3 | -27.8 | 32 | 0 | 0 | 0 | 114 | M1 V6 G7 F8 | M1-P4 VanDerWaalsContact O-CD 3.3Å; M1-P4 WeakPolarHBondContact O-CD 3.46Å; P4-V6 PolarHBondContact O-N 2.97Å; P4-G7 PolarHBondContact O-N 3.38Å; P4-F8 HydrophobicContact CB-CD2 4.3Å; P4-F8 HydrophobicContact CB-CE2 4.09Å; P4-F8 WeakPolarHBondContact O-CD2 3.42Å; P4-F8 WeakPolarHBondContact O-CG 3.23Å; P4-F8 PolarHBondContact O-N 3.34Å |
| 5 | I | 92.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 76.2 Ų | 76.2 | 9% | 0.092 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | -178.7 | -68.1 | 169.9 | 0 | 0 | 0 | 111.1 | M1 M2 V3 F8 T9 V79 L117 | M1-I5 HydrophobicContact CG-CD1 4.17Å; M1-I5 WeakPolarHBondContact O-CG1 3.33Å; M1-I5 PolarHBondContact O-N 3.02Å; M2-I5 WeakPolarHBondContact O-CB 3.35Å; M2-I5 PolarHBondContact O-N 3.32Å; M2-I5 VanDerWaalsContact O-N 3.11Å; V3-I5 VanDerWaalsContact C-N 3.35Å; V3-I5 PolarHBondContact O-N 2.98Å; I5-F8 PolarHBondContact O-N 3.45Å; I5-T9 WeakPolarHBondContact O-CB 3.31Å; I5-T9 PolarHBondContact O-N 3.01Å; I5-T9 PolarHBondContact O-OG1 2.97Å; I5-V79 HydrophobicContact CG2-CG2 4Å; I5-L117 HydrophobicContact CG2-CB 4.45Å; I5-L117 HydrophobicContact CG2-CD1 4.04Å |
| 6 | V | 93.4 | Very high | 91 | Very high | 82 Ų | 82 | 73.1 Ų | 73.1 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | M2 V3 P4 F8 T9 L10 | M2-V6 PolarHBondContact O-N 3.1Å; V3-V6 PolarHBondContact O-N 3.34Å; P4-V6 PolarHBondContact O-N 2.97Å; V6-F8 PolarHBondContact O-N 3.38Å; V6-T9 PolarHBondContact O-N 3.33Å; V6-L10 HydrophobicContact CG1-CD1 4.19Å; V6-L10 WeakPolarHBondContact O-CG 3.4Å; V6-L10 PolarHBondContact O-N 2.96Å |
| 7 | G | 95.4 | Very high | 91.4 | Very high | 40 Ų | 40 | 70.1 Ų | 70.1 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V3 P4 L10 L11 | V3-G7 PolarHBondContact O-N 3.47Å; P4-G7 PolarHBondContact O-N 3.38Å; G7-L10 PolarHBondContact O-N 3.47Å; G7-L11 PolarHBondContact O-N 3.49Å |
| 8 | F | 96.2 | Very high | 91.8 | Very high | 122 Ų | 122 | 69.9 Ų | 69.9 | 54% | 0.535 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 176.5 | -71.1 | -58.1 | 0 | 0 | 0 | 112.7 | P4 I5 V6 L11 C12 V79 | P4-F8 HydrophobicContact CB-CD2 4.3Å; P4-F8 HydrophobicContact CB-CE2 4.09Å; P4-F8 WeakPolarHBondContact O-CD2 3.42Å; P4-F8 WeakPolarHBondContact O-CG 3.23Å; P4-F8 PolarHBondContact O-N 3.34Å; I5-F8 PolarHBondContact O-N 3.45Å; V6-F8 PolarHBondContact O-N 3.38Å; F8-L11 WeakPolarHBondContact O-CB 3.38Å; F8-L11 PolarHBondContact O-N 2.96Å; F8-C12 PolarHBondContact O-N 3.04Å; F8-C12 PolarHBondContact O-SG 2.98Å; F8-C12 VanDerWaalsContact O-SG 3.34Å; F8-V79 HydrophobicContact CB-CG1 3.77Å |
| 9 | T | 97.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 111 | I5 V6 L11 C12 L13 L82 L86 | I5-T9 WeakPolarHBondContact O-CB 3.31Å; I5-T9 PolarHBondContact O-N 3.01Å; I5-T9 PolarHBondContact O-OG1 2.97Å; V6-T9 PolarHBondContact O-N 3.33Å; T9-L11 VanDerWaalsContact C-N 3.32Å; T9-L11 PolarHBondContact O-N 3.03Å; T9-C12 PolarHBondContact O-N 2.92Å; T9-L13 WeakPolarHBondContact O-CB 3.49Å; T9-L13 PolarHBondContact O-N 3.3Å; T9-L82 HydrophobicContact CG2-CB 4.22Å; T9-L82 HydrophobicContact CG2-CD2 3.66Å; T9-L82 HydrophobicContact CG2-CG 3.7Å; T9-L86 HydrophobicContact CG2-CD1 3.96Å |
| 10 | L | 97.8 | Very high | 92.5 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 51% | 0.508 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.4 | -69 | 174.4 | 0 | 0 | 0 | 111.7 | V6 G7 L13 C14 | V6-L10 HydrophobicContact CG1-CD1 4.19Å; V6-L10 WeakPolarHBondContact O-CG 3.4Å; V6-L10 PolarHBondContact O-N 2.96Å; G7-L10 PolarHBondContact O-N 3.47Å; L10-L13 HydrophobicContact CD2-CD2 4.39Å; L10-L13 WeakPolarHBondContact O-CB 3.48Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-C14 WeakPolarHBondContact O-CB 3.3Å; L10-C14 PolarHBondContact O-N 2.94Å; L10-C14 PolarHBondContact O-SG 2.67Å |
| 11 | L | 98.1 | Very high | 92.8 | Very high | 98 Ų | 98 | 70 Ų | 70 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 173.5 | 179.1 | 62.7 | 0 | 0 | 0 | 111.2 | G7 F8 T9 L13 C14 C15 | G7-L11 PolarHBondContact O-N 3.49Å; F8-L11 WeakPolarHBondContact O-CB 3.38Å; F8-L11 PolarHBondContact O-N 2.96Å; T9-L11 VanDerWaalsContact C-N 3.32Å; T9-L11 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.95Å; L11-C14 WeakPolarHBondContact O-CB 3.37Å; L11-C14 PolarHBondContact O-N 3.34Å; L11-C15 PolarHBondContact O-N 3.18Å; L11-C15 PolarHBondContact O-SG 3.22Å |
| 12 | C | 98.4 | Very high | 94.5 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 177 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | F8 T9 C14 C15 W16 | F8-C12 PolarHBondContact O-N 3.04Å; F8-C12 PolarHBondContact O-SG 2.98Å; F8-C12 VanDerWaalsContact O-SG 3.34Å; T9-C12 PolarHBondContact O-N 2.92Å; C12-C14 PolarHBondContact O-N 3.42Å; C12-C15 WeakPolarHBondContact O-CB 3.43Å; C12-C15 PolarHBondContact O-N 3.34Å; C12-W16 PolarHBondContact O-N 2.67Å |
| 13 | L | 98.5 | Very high | 95.7 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.4 | -50.5 | 173.2 | 176.8 | 77.7 | 0 | 0 | 0 | 111.1 | T9 L10 L11 C15 W16 A17 G83 L86 F87 | T9-L13 WeakPolarHBondContact O-CB 3.49Å; T9-L13 PolarHBondContact O-N 3.3Å; L10-L13 HydrophobicContact CD2-CD2 4.39Å; L10-L13 WeakPolarHBondContact O-CB 3.48Å; L10-L13 PolarHBondContact O-N 3.46Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.95Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 3.32Å; L13-W16 PolarHBondContact O-N 2.89Å; L13-A17 WeakPolarHBondContact O-CB 3.4Å; L13-A17 PolarHBondContact O-N 3.04Å; L13-G83 WeakPolarHBondContact CD1-O 3.5Å; L13-L86 HydrophobicContact CD1-CB 3.76Å; L13-F87 HydrophobicContact CD1-CB 3.78Å; L13-F87 VanDerWaalsContact CD1-N 3.35Å |
| 14 | C | 98.5 | Very high | 97 | Very high | 73 Ų | 73 | 57.7 Ų | 57.7 | 49% | 0.493 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 177 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | L10 L11 C12 A17 S18 | L10-C14 WeakPolarHBondContact O-CB 3.3Å; L10-C14 PolarHBondContact O-N 2.94Å; L10-C14 PolarHBondContact O-SG 2.67Å; L11-C14 WeakPolarHBondContact O-CB 3.37Å; L11-C14 PolarHBondContact O-N 3.34Å; C12-C14 PolarHBondContact O-N 3.42Å; C14-A17 PolarHBondContact O-N 3.12Å; C14-S18 WeakPolarHBondContact O-CB 3.43Å; C14-S18 PolarHBondContact O-N 3.38Å; C14-S18 PolarHBondContact O-OG 3.22Å |
| 15 | C | 98.6 | Very high | 97.5 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 49% | 0.486 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.6 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | L11 C12 L13 S18 F19 | L11-C15 PolarHBondContact O-N 3.18Å; L11-C15 PolarHBondContact O-SG 3.22Å; C12-C15 WeakPolarHBondContact O-CB 3.43Å; C12-C15 PolarHBondContact O-N 3.34Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 3.32Å; C15-S18 PolarHBondContact O-N 3.47Å; C15-F19 WeakPolarHBondContact O-CB 3.38Å; C15-F19 PolarHBondContact O-N 3.05Å |
| 16 | W | 98.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 67.5 Ų | 67.5 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 177.1 | -71.6 | 119.2 | 0 | 0 | 0 | 112.1 | C12 L13 F19 Y20 V39 V42 H43 I80 Y84 F87 | C12-W16 PolarHBondContact O-N 2.67Å; L13-W16 PolarHBondContact O-N 2.89Å; W16-F19 HydrophobicContact CE3-CD1 4.24Å; W16-F19 HydrophobicContact CZ3-CD1 4.26Å; W16-F19 PolarHBondContact O-N 3.38Å; W16-Y20 PolarHBondContact O-N 2.94Å; W16-V39 HydrophobicContact CE3-CG1 3.64Å; W16-V39 HydrophobicContact CZ3-CG1 4.14Å; W16-V42 HydrophobicContact CH2-CG1 4.3Å; W16-V42 HydrophobicContact CZ3-CG1 4.11Å; W16-H43 HydrophobicContact CH2-CB 3.75Å; W16-H43 HydrophobicContact CZ2-CB 4.09Å; W16-H43 AromaticContact CZ2-ND1 3.69Å; W16-H43 HydrophobicContact CZ3-CB 4.12Å; W16-I80 HydrophobicContact CZ2-CG2 4.07Å; W16-I80 PolarHBondContact NE1-O 3.38Å; W16-Y84 VanDerWaalsContact CD1-CA 3.48Å; W16-Y84 VanDerWaalsContact CD1-N 3.29Å; W16-Y84 HydrophobicContact CD2-CD2 4.26Å; W16-Y84 HydrophobicContact CE3-CD2 4.45Å; W16-F87 HydrophobicContact CB-CB 4.33Å; W16-F87 HydrophobicContact CB-CD1 4.44Å; W16-F87 HydrophobicContact CB-CG 4.29Å |
| 17 | A | 98.6 | Very high | 97.9 | Very high | 23 Ų | 23 | 66 Ų | 66 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L13 C14 F19 Y20 F21 F87 | L13-A17 WeakPolarHBondContact O-CB 3.4Å; L13-A17 PolarHBondContact O-N 3.04Å; C14-A17 PolarHBondContact O-N 3.12Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 2.84Å; A17-Y20 WeakPolarHBondContact O-CB 3.26Å; A17-Y20 PolarHBondContact O-N 3.44Å; A17-F21 HydrophobicContact CB-CE2 4.45Å; A17-F21 WeakPolarHBondContact O-CD2 3.35Å; A17-F21 PolarHBondContact O-N 3.21Å; A17-F87 HydrophobicContact CB-CD2 4.01Å; A17-F87 HydrophobicContact CB-CE2 4.34Å |
| 18 | S | 98.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 73 Ų | 73 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 174.9 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | C14 C15 Y20 F21 I22 | C14-S18 WeakPolarHBondContact O-CB 3.43Å; C14-S18 PolarHBondContact O-N 3.38Å; C14-S18 PolarHBondContact O-OG 3.22Å; C15-S18 PolarHBondContact O-N 3.47Å; S18-Y20 VanDerWaalsContact C-N 3.35Å; S18-Y20 PolarHBondContact O-N 3.16Å; S18-F21 PolarHBondContact O-N 3.45Å; S18-I22 WeakPolarHBondContact O-CB 3.41Å; S18-I22 WeakPolarHBondContact O-CD1 3.35Å; S18-I22 WeakPolarHBondContact O-CG1 3.42Å; S18-I22 PolarHBondContact O-N 3.48Å |
| 19 | F | 98.7 | Very high | 97.8 | Very high | 65 Ų | 65 | 75 Ų | 75 | 29% | 0.285 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.2 | -178.6 | -130 | 0 | 0 | 0 | 112 | C15 W16 A17 F21 I22 L23 V39 V42 | C15-F19 WeakPolarHBondContact O-CB 3.38Å; C15-F19 PolarHBondContact O-N 3.05Å; W16-F19 HydrophobicContact CE3-CD1 4.24Å; W16-F19 HydrophobicContact CZ3-CD1 4.26Å; W16-F19 PolarHBondContact O-N 3.38Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 2.84Å; F19-F21 PolarHBondContact O-N 3.28Å; F19-I22 PolarHBondContact O-N 2.98Å; F19-L23 HydrophobicContact CD1-CD1 4.27Å; F19-L23 HydrophobicContact CD2-CD1 4.49Å; F19-L23 HydrophobicContact CD2-CG 4.32Å; F19-L23 HydrophobicContact CE1-CD1 3.83Å; F19-L23 HydrophobicContact CE2-CD1 4.07Å; F19-L23 HydrophobicContact CE2-CD2 4.13Å; F19-L23 HydrophobicContact CE2-CG 3.96Å; F19-L23 HydrophobicContact CZ-CD1 3.71Å; F19-L23 HydrophobicContact CZ-CD2 4.26Å; F19-L23 HydrophobicContact CZ-CG 4.1Å; F19-L23 WeakPolarHBondContact O-CG 3.45Å; F19-L23 PolarHBondContact O-N 3.43Å; F19-V39 HydrophobicContact CD1-CB 4.39Å; F19-V39 HydrophobicContact CD1-CG1 4.19Å; F19-V39 HydrophobicContact CD1-CG2 3.81Å; F19-V39 HydrophobicContact CE1-CG2 4.11Å; F19-V42 HydrophobicContact CE1-CB 4.01Å; F19-V42 HydrophobicContact CE1-CG1 4.08Å; F19-V42 HydrophobicContact CE1-CG2 3.96Å; F19-V42 HydrophobicContact CZ-CG2 4.08Å |
| 20 | Y | 98.6 | Very high | 97.8 | Very high | 12 Ų | 12 | 80.4 Ų | 80.4 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 172.9 | 169.9 | -104.2 | 0 | 0 | 0 | 112.8 | W16 A17 S18 I22 L23 C24 Y32 N35 C36 V39 F87 W91 | W16-Y20 PolarHBondContact O-N 2.94Å; A17-Y20 WeakPolarHBondContact O-CB 3.26Å; A17-Y20 PolarHBondContact O-N 3.44Å; S18-Y20 VanDerWaalsContact C-N 3.35Å; S18-Y20 PolarHBondContact O-N 3.16Å; Y20-I22 PolarHBondContact O-N 3.29Å; Y20-L23 PolarHBondContact O-N 3.46Å; Y20-C24 VanDerWaalsContact CE2-SG 3.58Å; Y20-C24 PolarHBondContact O-N 3.21Å; Y20-C24 PolarHBondContact O-SG 3.48Å; Y20-Y32 WeakPolarHBondContact OH-CB 3.32Å; Y20-N35 HydrophobicContact CD2-CB 4.29Å; Y20-N35 HydrophobicContact CE2-CB 4.11Å; Y20-C36 HydrophobicContact CD2-CB 4.29Å; Y20-C36 HydrophobicContact CE2-CB 4Å; Y20-V39 HydrophobicContact CD2-CG2 4.38Å; Y20-F87 HydrophobicContact CD1-CE2 4.2Å; Y20-F87 HydrophobicContact CD1-CZ 4.22Å; Y20-F87 AromaticContact CD2-CZ 3.97Å; Y20-F87 HydrophobicContact CD2-CZ 3.97Å; Y20-F87 HydrophobicContact CG-CE2 4.01Å; Y20-F87 AromaticContact CG-CZ 3.63Å; Y20-F87 HydrophobicContact CG-CZ 3.63Å; Y20-W91 AromaticContact CE2-NE1 3.58Å; Y20-W91 AromaticContact CZ-CD1 3.95Å; Y20-W91 AromaticContact CZ-NE1 3.4Å; Y20-W91 PolarHBondContact OH-NE1 3.39Å; Y20-W91 VanDerWaalsContact OH-NE1 3.14Å |
| 21 | F | 98.3 | Very high | 97.7 | Very high | 134 Ų | 134 | 78.6 Ų | 78.6 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67 | -36.8 | -180 | -71.7 | -63.1 | 0 | 0 | 0 | 112.4 | A17 S18 F19 C24 F25 | A17-F21 HydrophobicContact CB-CE2 4.45Å; A17-F21 WeakPolarHBondContact O-CD2 3.35Å; A17-F21 PolarHBondContact O-N 3.21Å; S18-F21 PolarHBondContact O-N 3.45Å; F19-F21 PolarHBondContact O-N 3.28Å; F21-C24 WeakPolarHBondContact O-CB 3.29Å; F21-C24 PolarHBondContact O-N 2.89Å; F21-F25 PolarHBondContact O-N 2.91Å |
| 22 | I | 98.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 81.1 Ų | 81.1 | 45% | 0.446 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 172.7 | -71.3 | 165.6 | 0 | 0 | 0 | 110.3 | S18 F19 Y20 C24 F25 F26 | S18-I22 WeakPolarHBondContact O-CB 3.41Å; S18-I22 WeakPolarHBondContact O-CD1 3.35Å; S18-I22 WeakPolarHBondContact O-CG1 3.42Å; S18-I22 PolarHBondContact O-N 3.48Å; F19-I22 PolarHBondContact O-N 2.98Å; Y20-I22 PolarHBondContact O-N 3.29Å; I22-C24 VanDerWaalsContact C-N 3.34Å; I22-C24 PolarHBondContact O-N 3.27Å; I22-F25 WeakPolarHBondContact O-CB 3.34Å; I22-F25 PolarHBondContact O-N 3.34Å; I22-F26 HydrophobicContact CG2-CD2 3.7Å; I22-F26 HydrophobicContact CG2-CE2 3.73Å; I22-F26 VanDerWaalsContact O-CD2 3.28Å; I22-F26 WeakPolarHBondContact O-CD2 3.36Å; I22-F26 PolarHBondContact O-N 3.02Å |
| 23 | L | 98.3 | Very high | 97.7 | Very high | 24 Ų | 24 | 82.2 Ų | 82.2 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 175 | -71.9 | 175.3 | 0 | 0 | 0 | 111.7 | F19 Y20 F25 F26 N27 N35 L38 V39 | F19-L23 HydrophobicContact CD1-CD1 4.27Å; F19-L23 HydrophobicContact CD2-CD1 4.49Å; F19-L23 HydrophobicContact CD2-CG 4.32Å; F19-L23 HydrophobicContact CE1-CD1 3.83Å; F19-L23 HydrophobicContact CE2-CD1 4.07Å; F19-L23 HydrophobicContact CE2-CD2 4.13Å; F19-L23 HydrophobicContact CE2-CG 3.96Å; F19-L23 HydrophobicContact CZ-CD1 3.71Å; F19-L23 HydrophobicContact CZ-CD2 4.26Å; F19-L23 HydrophobicContact CZ-CG 4.1Å; F19-L23 WeakPolarHBondContact O-CG 3.45Å; F19-L23 PolarHBondContact O-N 3.43Å; Y20-L23 PolarHBondContact O-N 3.46Å; L23-F25 VanDerWaalsContact C-N 3.29Å; L23-F25 PolarHBondContact O-N 2.99Å; L23-F26 PolarHBondContact O-N 2.67Å; L23-N27 WeakPolarHBondContact O-CA 3.29Å; L23-N27 VanDerWaalsContact O-CB 3.26Å; L23-N27 WeakPolarHBondContact O-CB 3.48Å; L23-N27 PolarHBondContact O-N 3.46Å; L23-N35 HydrophobicContact CB-CB 4.04Å; L23-N35 PolarHBondContact O-OD1 2.92Å; L23-L38 HydrophobicContact CD1-CB 3.86Å; L23-L38 HydrophobicContact CD2-CD1 4.43Å; L23-V39 HydrophobicContact CD1-CG2 3.69Å |
| 24 | C | 98 | Very high | 97.6 | Very high | 20 Ų | 20 | 81.5 Ų | 81.5 | 14% | 0.135 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 175 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | Y20 F21 I22 R28 | Y20-C24 VanDerWaalsContact CE2-SG 3.58Å; Y20-C24 PolarHBondContact O-N 3.21Å; Y20-C24 PolarHBondContact O-SG 3.48Å; F21-C24 WeakPolarHBondContact O-CB 3.29Å; F21-C24 PolarHBondContact O-N 2.89Å; I22-C24 VanDerWaalsContact C-N 3.34Å; I22-C24 PolarHBondContact O-N 3.27Å; C24-R28 WeakPolarHBondContact O-CA 3.26Å; C24-R28 PolarHBondContact O-N 2.98Å |
| 25 | F | 97.7 | Very high | 97.6 | Very high | 146 Ų | 146 | 78.1 Ų | 78.1 | 64% | 0.64 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.9 | -48.9 | 177.5 | 177.1 | -100.6 | 0 | 0 | 0 | 112.1 | F21 I22 L23 | F21-F25 PolarHBondContact O-N 2.91Å; I22-F25 WeakPolarHBondContact O-CB 3.34Å; I22-F25 PolarHBondContact O-N 3.34Å; L23-F25 VanDerWaalsContact C-N 3.29Å; L23-F25 PolarHBondContact O-N 2.99Å |
| 26 | F | 97.5 | Very high | 97.6 | Very high | 147 Ų | 147 | 74.8 Ų | 74.8 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -74.4 | -36.8 | -178.4 | -75.3 | -67.2 | 0 | 0 | 0 | 113 | I22 L23 | I22-F26 HydrophobicContact CG2-CD2 3.7Å; I22-F26 HydrophobicContact CG2-CE2 3.73Å; I22-F26 VanDerWaalsContact O-CD2 3.28Å; I22-F26 WeakPolarHBondContact O-CD2 3.36Å; I22-F26 PolarHBondContact O-N 3.02Å; L23-F26 PolarHBondContact O-N 2.67Å |
| 27 | N | 96.4 | Very high | 97.6 | Very high | 52 Ų | 52 | 74.7 Ų | 74.7 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 42.3 | -180 | -60.3 | -43 | 0 | 0 | 0 | 112 | L23 H29 R30 N35 | L23-N27 WeakPolarHBondContact O-CA 3.29Å; L23-N27 VanDerWaalsContact O-CB 3.26Å; L23-N27 WeakPolarHBondContact O-CB 3.48Å; L23-N27 PolarHBondContact O-N 3.46Å; N27-H29 PolarHBondContact O-N 3.38Å; N27-R30 HydrophobicContact CB-CB 4.25Å; N27-R30 HydrophobicContact CB-CG 4.19Å; N27-R30 WeakPolarHBondContact O-CB 3.39Å; N27-R30 PolarHBondContact O-N 3.38Å; N27-N35 WeakPolarHBondContact CB-OD1 3.46Å; N27-N35 PolarHBondContact ND2-OD1 3.24Å; N27-N35 VanDerWaalsContact ND2-OD1 3.09Å |
| 28 | R | 94.4 | Very high | 97.6 | Very high | 186 Ų | 186 | 75.7 Ų | 75.7 | 70% | 0.702 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20 | -177.3 | 72.8 | -178.4 | 106.3 | 116.9 | -2.4 | 115.1 | C24 R30 | C24-R28 WeakPolarHBondContact O-CA 3.26Å; C24-R28 PolarHBondContact O-N 2.98Å; R28-R30 VanDerWaalsContact C-N 3.35Å |
| 29 | H | 95.1 | Very high | 97.6 | Very high | 165 Ų | 165 | 72.5 Ų | 72.5 | 76% | 0.764 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.2 | 177.7 | -59 | -69.5 | 0 | 0 | 0 | 113.3 | N27 | N27-H29 PolarHBondContact O-N 3.38Š|
| 30 | R | 96.4 | Very high | 97.5 | Very high | 123 Ų | 123 | 69.8 Ų | 69.8 | 46% | 0.464 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -99 | 160.9 | 176.9 | -62.2 | -65.5 | -174.7 | 170.4 | -3.2 | 110.2 | N27 R28 W34 | N27-R30 HydrophobicContact CB-CB 4.25Å; N27-R30 HydrophobicContact CB-CG 4.19Å; N27-R30 WeakPolarHBondContact O-CB 3.39Å; N27-R30 PolarHBondContact O-N 3.38Å; R28-R30 VanDerWaalsContact C-N 3.35Å; R30-W34 HydrophobicContact CB-CB 3.87Å; R30-W34 HydrophobicContact CB-CD2 4.32Å; R30-W34 HydrophobicContact CB-CG 3.72Å; R30-W34 HydrophobicContact CG-CD2 4.17Å; R30-W34 HydrophobicContact CG-CG 3.99Å |
| 31 | S | 96.8 | Very high | 97.5 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 42% | 0.42 | 32% | 0.322 | S | S | . | . | trans | -67.6 | 158.2 | 175.5 | 63 | 0 | 0 | 0 | 0 | 111.7 | E33 W34 N35 | S31-E33 VanDerWaalsContact C-N 3.25Å; S31-E33 PolarHBondContact O-N 2.94Å; S31-W34 VanDerWaalsContact O-CB 3.3Å; S31-W34 WeakPolarHBondContact O-CB 3.37Å; S31-W34 PolarHBondContact O-N 3.46Å; S31-W34 VanDerWaalsContact O-N 3.12Å; S31-W34 PolarHBondContact OG-N 3.21Å; S31-N35 PolarHBondContact O-N 3.14Å; S31-N35 PolarHBondContact O-ND2 3.28Å | ||
| 32 | Y | 97.4 | Very high | 97.5 | Very high | 150 Ų | 150 | 67.7 Ų | 67.7 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.6 | -41.2 | 171.3 | -67.3 | -57.8 | 0 | 0 | 0 | 112 | Y20 W34 N35 C36 F95 | Y20-Y32 WeakPolarHBondContact OH-CB 3.32Å; Y32-W34 VanDerWaalsContact C-N 3.31Å; Y32-W34 PolarHBondContact O-N 3.45Å; Y32-N35 PolarHBondContact O-N 3.08Å; Y32-N35 VanDerWaalsContact O-N 3.17Å; Y32-C36 PolarHBondContact O-N 3.35Å; Y32-F95 HydrophobicContact CD2-CE1 4.36Å; Y32-F95 HydrophobicContact CD2-CZ 4.5Å; Y32-F95 HydrophobicContact CG-CZ 4.46Å |
| 33 | E | 97.6 | Very high | 97.5 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -40 | 175.6 | -171.7 | 178.1 | 174.5 | 0 | 0 | 112 | S31 N35 C36 R37 W91 W144 | S31-E33 VanDerWaalsContact C-N 3.25Å; S31-E33 PolarHBondContact O-N 2.94Å; E33-N35 VanDerWaalsContact C-N 3.27Å; E33-N35 PolarHBondContact O-N 2.56Å; E33-C36 PolarHBondContact O-N 3.3Å; E33-C36 VanDerWaalsContact O-N 3.16Å; E33-R37 HydrophobicContact CG-CG 3.99Å; E33-R37 WeakPolarHBondContact O-CB 3.33Å; E33-R37 WeakPolarHBondContact O-CG 3.24Å; E33-R37 PolarHBondContact O-N 3.11Å; E33-R37 IonicContact OE1-CZ 2.89Å; E33-R37 IonicContact OE1-NE 3.82Å; E33-R37 PolarHBondContact OE1-NE 3.12Å; E33-R37 IonicContact OE1-NH2 3.74Å; E33-R37 PolarHBondContact OE1-NH2 3.44Å; E33-W91 VanDerWaalsContact CA-CH2 3.47Å; E33-W91 HydrophobicContact CB-CH2 3.65Å; E33-W91 HydrophobicContact CB-CZ2 4.16Å; E33-W91 HydrophobicContact CG-CH2 3.7Å; E33-W91 HydrophobicContact CG-CZ3 4.34Å; E33-W144 HydrophobicContact CB-CH2 4.38Å; E33-W144 HydrophobicContact CB-CZ2 4.03Å; E33-W144 HydrophobicContact CG-CH2 4.14Å; E33-W144 HydrophobicContact CG-CZ2 3.5Å; E33-W144 PolarHBondContact OE1-NE1 2.8Å |
| 34 | W | 97.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 13% | 0.125 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.3 | -45.1 | 176.5 | -177.5 | -73.9 | 0 | 0 | 0 | 111.8 | R30 S31 Y32 R37 L38 W144 F145 Q148 T149 | R30-W34 HydrophobicContact CB-CB 3.87Å; R30-W34 HydrophobicContact CB-CD2 4.32Å; R30-W34 HydrophobicContact CB-CG 3.72Å; R30-W34 HydrophobicContact CG-CD2 4.17Å; R30-W34 HydrophobicContact CG-CG 3.99Å; S31-W34 VanDerWaalsContact O-CB 3.3Å; S31-W34 WeakPolarHBondContact O-CB 3.37Å; S31-W34 PolarHBondContact O-N 3.46Å; S31-W34 VanDerWaalsContact O-N 3.12Å; S31-W34 PolarHBondContact OG-N 3.21Å; Y32-W34 VanDerWaalsContact C-N 3.31Å; Y32-W34 PolarHBondContact O-N 3.45Å; W34-R37 PolarHBondContact O-N 3.23Å; W34-L38 WeakPolarHBondContact O-CG 3.17Å; W34-L38 PolarHBondContact O-N 2.9Å; W34-L38 VanDerWaalsContact O-N 3.11Å; W34-W144 HydrophobicContact CB-CH2 3.99Å; W34-W144 HydrophobicContact CB-CZ3 4.23Å; W34-W144 HydrophobicContact CD2-CZ3 4.2Å; W34-W144 HydrophobicContact CE3-CH2 4.15Å; W34-W144 AromaticContact CE3-CZ3 3.74Å; W34-W144 HydrophobicContact CE3-CZ3 3.74Å; W34-W144 HydrophobicContact CG-CZ3 4.44Å; W34-W144 HydrophobicContact CZ3-CZ3 4.45Å; W34-F145 AromaticContact CD2-CD1 3.95Å; W34-F145 HydrophobicContact CD2-CD1 3.95Å; W34-F145 AromaticContact CD2-CE1 3.7Å; W34-F145 HydrophobicContact CD2-CE1 3.7Å; W34-F145 AromaticContact CE2-CD1 3.88Å; W34-F145 AromaticContact CE2-CE1 3.65Å; W34-F145 AromaticContact CE3-CD1 3.88Å; W34-F145 HydrophobicContact CE3-CD1 3.88Å; W34-F145 HydrophobicContact CE3-CE1 4.08Å; W34-F145 HydrophobicContact CG-CE1 4.1Å; W34-F145 AromaticContact CH2-CD1 3.69Å; W34-F145 HydrophobicContact CH2-CD1 3.69Å; W34-F145 HydrophobicContact CH2-CE1 4.31Å; W34-F145 AromaticContact CZ2-CD1 3.76Å; W34-F145 HydrophobicContact CZ2-CD1 3.76Å; W34-F145 AromaticContact CZ2-CE1 3.97Å; W34-F145 HydrophobicContact CZ2-CE1 3.97Å; W34-F145 AromaticContact CZ3-CD1 3.76Å; W34-F145 HydrophobicContact CZ3-CD1 3.76Å; W34-F145 HydrophobicContact CZ3-CE1 4.37Å; W34-F145 AromaticContact NE1-CE1 3.99Å; W34-Q148 HydrophobicContact CE3-CB 4.17Å; W34-Q148 HydrophobicContact CZ3-CB 3.79Å; W34-T149 HydrophobicContact CH2-CG2 3.77Å; W34-T149 HydrophobicContact CZ3-CG2 4.07Å |
| 35 | N | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 179.2 | -67 | -47.1 | 0 | 0 | 0 | 111.7 | Y20 L23 N27 S31 Y32 E33 L38 V39 | Y20-N35 HydrophobicContact CD2-CB 4.29Å; Y20-N35 HydrophobicContact CE2-CB 4.11Å; L23-N35 HydrophobicContact CB-CB 4.04Å; L23-N35 PolarHBondContact O-OD1 2.92Å; N27-N35 WeakPolarHBondContact CB-OD1 3.46Å; N27-N35 PolarHBondContact ND2-OD1 3.24Å; N27-N35 VanDerWaalsContact ND2-OD1 3.09Å; S31-N35 PolarHBondContact O-N 3.14Å; S31-N35 PolarHBondContact O-ND2 3.28Å; Y32-N35 PolarHBondContact O-N 3.08Å; Y32-N35 VanDerWaalsContact O-N 3.17Å; E33-N35 VanDerWaalsContact C-N 3.27Å; E33-N35 PolarHBondContact O-N 2.56Å; N35-L38 WeakPolarHBondContact O-CB 3.41Å; N35-L38 PolarHBondContact O-N 3.31Å; N35-V39 WeakPolarHBondContact O-CG2 3.49Å; N35-V39 PolarHBondContact O-N 3.35Å; N35-V39 VanDerWaalsContact O-N 3.14Å |
| 36 | C | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 173.8 | -163.8 | 0 | 0 | 0 | 0 | 111.8 | Y20 Y32 E33 L38 V39 T40 W91 | Y20-C36 HydrophobicContact CD2-CB 4.29Å; Y20-C36 HydrophobicContact CE2-CB 4Å; Y32-C36 PolarHBondContact O-N 3.35Å; E33-C36 PolarHBondContact O-N 3.3Å; E33-C36 VanDerWaalsContact O-N 3.16Å; C36-L38 PolarHBondContact O-N 2.96Å; C36-V39 CarbonylContact O-C 3.52Å; C36-V39 WeakPolarHBondContact O-CA 3.35Å; C36-V39 WeakPolarHBondContact O-CB 3.49Å; C36-V39 PolarHBondContact O-N 2.85Å; C36-T40 PolarHBondContact O-N 2.97Å; C36-T40 PolarHBondContact O-OG1 3.45Å; C36-T40 VanDerWaalsContact O-OG1 3.13Å; C36-W91 HydrophobicContact CB-CD2 3.77Å; C36-W91 VanDerWaalsContact CB-CE2 3.47Å; C36-W91 HydrophobicContact CB-CE3 4.05Å; C36-W91 HydrophobicContact CB-CG 4.41Å; C36-W91 HydrophobicContact CB-CH2 3.97Å; C36-W91 HydrophobicContact CB-CZ2 3.63Å; C36-W91 HydrophobicContact CB-CZ3 4.11Å; C36-W91 VanDerWaalsContact SG-CE3 3.53Å |
| 37 | R | 98 | Very high | 97.6 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -31.9 | 177 | -64.4 | -79.3 | -178.2 | -157.5 | 5.7 | 112.5 | E33 W34 L41 E98 W144 F145 | E33-R37 HydrophobicContact CG-CG 3.99Å; E33-R37 WeakPolarHBondContact O-CB 3.33Å; E33-R37 WeakPolarHBondContact O-CG 3.24Å; E33-R37 PolarHBondContact O-N 3.11Å; E33-R37 IonicContact OE1-CZ 2.89Å; E33-R37 IonicContact OE1-NE 3.82Å; E33-R37 PolarHBondContact OE1-NE 3.12Å; E33-R37 IonicContact OE1-NH2 3.74Å; E33-R37 PolarHBondContact OE1-NH2 3.44Å; W34-R37 PolarHBondContact O-N 3.23Å; R37-L41 WeakPolarHBondContact O-CB 3.29Å; R37-L41 PolarHBondContact O-N 3.38Å; R37-E98 IonicContact CZ-OE1 3.41Å; R37-E98 IonicContact NH1-OE1 2.67Å; R37-E98 PolarHBondContact NH1-OE1 3.33Å; R37-E98 IonicContact NH2-OE1 3.2Å; R37-E98 PolarHBondContact NH2-OE1 3.37Å; R37-W144 HydrophobicContact CB-CE3 4.16Å; R37-W144 HydrophobicContact CB-CZ3 4.21Å; R37-W144 HydrophobicContact CG-CD2 3.92Å; R37-W144 HydrophobicContact CG-CE3 3.86Å; R37-W144 HydrophobicContact CG-CH2 4.19Å; R37-W144 HydrophobicContact CG-CZ2 4.25Å; R37-W144 HydrophobicContact CG-CZ3 3.99Å; R37-F145 HydrophobicContact CB-CE1 4.19Å; R37-F145 HydrophobicContact CB-CE2 4.25Å; R37-F145 HydrophobicContact CB-CZ 3.64Å |
| 38 | L | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 170.9 | -73.6 | 175.1 | 0 | 0 | 0 | 111.8 | L23 W34 N35 C36 L41 V42 F145 | L23-L38 HydrophobicContact CD1-CB 3.86Å; L23-L38 HydrophobicContact CD2-CD1 4.43Å; W34-L38 WeakPolarHBondContact O-CG 3.17Å; W34-L38 PolarHBondContact O-N 2.9Å; W34-L38 VanDerWaalsContact O-N 3.11Å; N35-L38 WeakPolarHBondContact O-CB 3.41Å; N35-L38 PolarHBondContact O-N 3.31Å; C36-L38 PolarHBondContact O-N 2.96Å; L38-L41 PolarHBondContact O-N 2.86Å; L38-V42 WeakPolarHBondContact O-CG2 3.24Å; L38-V42 PolarHBondContact O-N 2.91Å; L38-F145 HydrophobicContact CD2-CE1 4.33Å; L38-F145 HydrophobicContact CD2-CE2 4.38Å; L38-F145 HydrophobicContact CD2-CZ 3.75Å; L38-F145 HydrophobicContact CG-CE1 4.38Å; L38-F145 HydrophobicContact CG-CZ 3.93Å |
| 39 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 173.4 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | W16 F19 Y20 L23 N35 C36 L41 V42 H43 Y84 F87 | W16-V39 HydrophobicContact CE3-CG1 3.64Å; W16-V39 HydrophobicContact CZ3-CG1 4.14Å; F19-V39 HydrophobicContact CD1-CB 4.39Å; F19-V39 HydrophobicContact CD1-CG1 4.19Å; F19-V39 HydrophobicContact CD1-CG2 3.81Å; F19-V39 HydrophobicContact CE1-CG2 4.11Å; Y20-V39 HydrophobicContact CD2-CG2 4.38Å; L23-V39 HydrophobicContact CD1-CG2 3.69Å; N35-V39 WeakPolarHBondContact O-CG2 3.49Å; N35-V39 PolarHBondContact O-N 3.35Å; N35-V39 VanDerWaalsContact O-N 3.14Å; C36-V39 CarbonylContact O-C 3.52Å; C36-V39 WeakPolarHBondContact O-CA 3.35Å; C36-V39 WeakPolarHBondContact O-CB 3.49Å; C36-V39 PolarHBondContact O-N 2.85Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 2.87Å; V39-V42 PolarHBondContact O-N 3.47Å; V39-H43 WeakPolarHBondContact O-CB 3.32Å; V39-H43 PolarHBondContact O-N 3.07Å; V39-Y84 HydrophobicContact CG1-CD2 4.24Å; V39-Y84 HydrophobicContact CG1-CE2 4.1Å; V39-F87 HydrophobicContact CB-CE1 4.4Å; V39-F87 HydrophobicContact CG1-CD1 4.41Å; V39-F87 HydrophobicContact CG1-CE1 3.94Å |
| 40 | T | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 175.2 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | C36 H43 G44 Y84 N137 Q141 | C36-T40 PolarHBondContact O-N 2.97Å; C36-T40 PolarHBondContact O-OG1 3.45Å; C36-T40 VanDerWaalsContact O-OG1 3.13Å; T40-H43 PolarHBondContact O-N 3.45Å; T40-G44 PolarHBondContact O-N 2.88Å; T40-Y84 VanDerWaalsContact CA-OH 3.31Å; T40-Y84 WeakPolarHBondContact CA-OH 3.45Å; T40-Y84 WeakPolarHBondContact CB-OH 3.48Å; T40-Y84 WeakPolarHBondContact CG2-OH 3.36Å; T40-Y84 PolarHBondContact OG1-OH 3.39Å; T40-N137 VanDerWaalsContact CG2-ND2 3.32Å; T40-N137 WeakPolarHBondContact CG2-ND2 3.39Å; T40-Q141 HydrophobicContact CG2-CG 4.13Å |
| 41 | L | 98.3 | Very high | 98.1 | Very high | 44 Ų | 44 | 36.9 Ų | 36.9 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.7 | 179.9 | 62.5 | 0 | 0 | 0 | 111.7 | R37 L38 V39 G44 M45 P138 Q141 F145 | R37-L41 WeakPolarHBondContact O-CB 3.29Å; R37-L41 PolarHBondContact O-N 3.38Å; L38-L41 PolarHBondContact O-N 2.86Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 2.87Å; L41-G44 PolarHBondContact O-N 2.78Å; L41-M45 VanDerWaalsContact O-CG 3.31Å; L41-M45 WeakPolarHBondContact O-CG 3.27Å; L41-M45 PolarHBondContact O-N 3.37Å; L41-P138 HydrophobicContact CD1-CB 3.92Å; L41-P138 HydrophobicContact CD1-CG 4.41Å; L41-Q141 HydrophobicContact CB-CB 4.35Å; L41-Q141 HydrophobicContact CB-CG 4.23Å; L41-Q141 HydrophobicContact CD1-CB 4.21Å; L41-Q141 HydrophobicContact CD1-CG 4.47Å; L41-F145 HydrophobicContact CD2-CE2 4.45Å |
| 42 | V | 98.5 | Very high | 98.2 | Very high | 59 Ų | 59 | 35.3 Ų | 35.3 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.7 | -45 | 178.4 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | W16 F19 L38 V39 M45 V46 | W16-V42 HydrophobicContact CH2-CG1 4.3Å; W16-V42 HydrophobicContact CZ3-CG1 4.11Å; F19-V42 HydrophobicContact CE1-CB 4.01Å; F19-V42 HydrophobicContact CE1-CG1 4.08Å; F19-V42 HydrophobicContact CE1-CG2 3.96Å; F19-V42 HydrophobicContact CZ-CG2 4.08Å; L38-V42 WeakPolarHBondContact O-CG2 3.24Å; L38-V42 PolarHBondContact O-N 2.91Å; V39-V42 PolarHBondContact O-N 3.47Å; V42-M45 PolarHBondContact O-N 2.86Å; V42-V46 HydrophobicContact CG1-CG2 4.46Å; V42-V46 WeakPolarHBondContact O-CG2 3.16Å; V42-V46 PolarHBondContact O-N 3.41Å |
| 43 | H | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -51.6 | 174.5 | 172 | 65.1 | 0 | 0 | 0 | 111.6 | W16 V39 T40 M45 V46 A47 S81 Y84 | W16-H43 HydrophobicContact CH2-CB 3.75Å; W16-H43 HydrophobicContact CZ2-CB 4.09Å; W16-H43 AromaticContact CZ2-ND1 3.69Å; W16-H43 HydrophobicContact CZ3-CB 4.12Å; V39-H43 WeakPolarHBondContact O-CB 3.32Å; V39-H43 PolarHBondContact O-N 3.07Å; T40-H43 PolarHBondContact O-N 3.45Å; H43-M45 VanDerWaalsContact C-N 3.3Å; H43-M45 PolarHBondContact O-N 3.34Å; H43-V46 PolarHBondContact O-N 3.37Å; H43-V46 VanDerWaalsContact O-N 3.11Å; H43-A47 WeakPolarHBondContact O-CB 3.32Å; H43-A47 PolarHBondContact O-N 3.11Å; H43-S81 PolarHBondContact CE1-OG 3.48Å; H43-Y84 HydrophobicContact CB-CD1 4.11Å; H43-Y84 HydrophobicContact CB-CD2 3.4Å; H43-Y84 VanDerWaalsContact CB-CD2 3.4Å; H43-Y84 HydrophobicContact CB-CE1 4.3Å; H43-Y84 HydrophobicContact CB-CE2 3.6Å; H43-Y84 HydrophobicContact CB-CG 3.68Å; H43-Y84 AromaticContact CD2-CD1 3.04Å; H43-Y84 WeakPolarHBondContact CD2-CD1 3.5Å; H43-Y84 AromaticContact CD2-CE1 3.32Å; H43-Y84 WeakPolarHBondContact CD2-CE1 3.43Å; H43-Y84 AromaticContact CD2-CG 3.48Å; H43-Y84 VanDerWaalsContact CD2-CG 3.48Å; H43-Y84 AromaticContact CD2-CZ 3.92Å; H43-Y84 AromaticContact CE1-CD1 3.83Å; H43-Y84 AromaticContact CE1-CG 3.91Å; H43-Y84 AromaticContact CG-CD1 3.34Å; H43-Y84 AromaticContact CG-CD2 3.51Å; H43-Y84 AromaticContact CG-CE1 3.82Å; H43-Y84 AromaticContact CG-CE2 3.95Å; H43-Y84 AromaticContact CG-CG 3.18Å; H43-Y84 WeakPolarHBondContact ND1-CB 3.1Å; H43-Y84 AromaticContact ND1-CD1 3.8Å; H43-Y84 AromaticContact ND1-CG 3.48Å; H43-Y84 AromaticContact NE2-CD1 3.39Å; H43-Y84 WeakPolarHBondContact NE2-CD1 3.36Å; H43-Y84 AromaticContact NE2-CE1 4Å; H43-Y84 AromaticContact NE2-CG 3.92Å |
| 44 | G | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.7 | -46.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T40 L41 V46 A47 I48 | T40-G44 PolarHBondContact O-N 2.88Å; L41-G44 PolarHBondContact O-N 2.78Å; G44-V46 PolarHBondContact O-N 3.39Å; G44-A47 PolarHBondContact O-N 3.41Å; G44-I48 WeakPolarHBondContact O-CB 3.47Å; G44-I48 WeakPolarHBondContact O-CD1 3.43Å; G44-I48 WeakPolarHBondContact O-CG1 3.45Å; G44-I48 PolarHBondContact O-N 3.21Å |
| 45 | M | 98.2 | Very high | 98.1 | Very high | 94 Ų | 94 | 30.7 Ų | 30.7 | 46% | 0.463 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62 | -44.3 | 177 | -67.4 | -56.9 | -61.7 | 0 | 0 | 112.7 | L41 V42 H43 C49 P138 | L41-M45 VanDerWaalsContact O-CG 3.31Å; L41-M45 WeakPolarHBondContact O-CG 3.27Å; L41-M45 PolarHBondContact O-N 3.37Å; V42-M45 PolarHBondContact O-N 2.86Å; H43-M45 VanDerWaalsContact C-N 3.3Å; H43-M45 PolarHBondContact O-N 3.34Å; M45-C49 WeakPolarHBondContact O-CB 3.4Å; M45-C49 PolarHBondContact O-N 2.87Å; M45-C49 PolarHBondContact O-SG 3.14Å; M45-P138 HydrophobicContact SD-CB 4.38Å; M45-P138 HydrophobicContact SD-CG 3.86Å |
| 46 | V | 98.2 | Very high | 97.9 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 30% | 0.303 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 177.2 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | V42 H43 G44 C49 I50 | V42-V46 HydrophobicContact CG1-CG2 4.46Å; V42-V46 WeakPolarHBondContact O-CG2 3.16Å; V42-V46 PolarHBondContact O-N 3.41Å; H43-V46 PolarHBondContact O-N 3.37Å; H43-V46 VanDerWaalsContact O-N 3.11Å; G44-V46 PolarHBondContact O-N 3.39Å; V46-C49 PolarHBondContact O-N 3.13Å; V46-I50 HydrophobicContact CG1-CD1 3.59Å; V46-I50 HydrophobicContact CG1-CG1 4.4Å; V46-I50 WeakPolarHBondContact O-CG1 3.45Å; V46-I50 PolarHBondContact O-N 3.2Å |
| 47 | A | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H43 G44 C49 I50 T51 L130 E134 | H43-A47 WeakPolarHBondContact O-CB 3.32Å; H43-A47 PolarHBondContact O-N 3.11Å; G44-A47 PolarHBondContact O-N 3.41Å; A47-C49 PolarHBondContact O-N 3.28Å; A47-I50 PolarHBondContact O-N 3.43Å; A47-T51 WeakPolarHBondContact O-CB 3.42Å; A47-T51 WeakPolarHBondContact O-CG2 3.48Å; A47-T51 PolarHBondContact O-N 3.44Å; A47-T51 PolarHBondContact O-OG1 2.78Å; A47-L130 HydrophobicContact CB-CD2 4.47Å; A47-L130 HydrophobicContact CB-CG 4.45Å; A47-E134 HydrophobicContact CB-CB 4.45Å; A47-E134 HydrophobicContact CB-CG 4.12Å |
| 48 | I | 98.4 | Very high | 97.8 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.3 | -51 | 176.8 | -67.7 | 160.1 | 0 | 0 | 0 | 110.5 | G44 T51 A52 F131 E134 I135 P138 | G44-I48 WeakPolarHBondContact O-CB 3.47Å; G44-I48 WeakPolarHBondContact O-CD1 3.43Å; G44-I48 WeakPolarHBondContact O-CG1 3.45Å; G44-I48 PolarHBondContact O-N 3.21Å; I48-T51 PolarHBondContact O-OG1 2.95Å; I48-A52 WeakPolarHBondContact O-CB 3.29Å; I48-A52 PolarHBondContact O-N 3.38Å; I48-F131 HydrophobicContact CG2-CD2 4.23Å; I48-F131 HydrophobicContact CG2-CE2 3.8Å; I48-E134 HydrophobicContact CG1-CB 3.96Å; I48-I135 HydrophobicContact CG1-CB 4.46Å; I48-P138 HydrophobicContact CD1-CG 3.79Å |
| 49 | C | 98.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 44 Ų | 44 | 53% | 0.527 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.2 | -47.1 | -176.6 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | M45 V46 A47 Y53 | M45-C49 WeakPolarHBondContact O-CB 3.4Å; M45-C49 PolarHBondContact O-N 2.87Å; M45-C49 PolarHBondContact O-SG 3.14Å; V46-C49 PolarHBondContact O-N 3.13Å; A47-C49 PolarHBondContact O-N 3.28Å; C49-Y53 PolarHBondContact O-N 3.46Å; C49-Y53 VanDerWaalsContact O-N 3.08Å |
| 50 | I | 98.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 25% | 0.246 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -46.4 | -178.8 | -65 | 172.1 | 0 | 0 | 0 | 110.3 | V46 A47 Y53 I54 L73 A77 I80 | V46-I50 HydrophobicContact CG1-CD1 3.59Å; V46-I50 HydrophobicContact CG1-CG1 4.4Å; V46-I50 WeakPolarHBondContact O-CG1 3.45Å; V46-I50 PolarHBondContact O-N 3.2Å; A47-I50 PolarHBondContact O-N 3.43Å; I50-Y53 PolarHBondContact O-N 3.01Å; I50-I54 HydrophobicContact CG2-CD1 3.95Å; I50-I54 WeakPolarHBondContact O-CG1 3.45Å; I50-I54 PolarHBondContact O-N 3.24Å; I50-L73 HydrophobicContact CG2-CD1 4.44Å; I50-A77 HydrophobicContact CG2-CB 3.64Å; I50-I80 HydrophobicContact CD1-CD1 4.43Å |
| 51 | T | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.9 | -29.8 | -178.4 | 56 | 0 | 0 | 0 | 0 | 113 | A47 I48 I54 G55 C127 L130 F131 | A47-T51 WeakPolarHBondContact O-CB 3.42Å; A47-T51 WeakPolarHBondContact O-CG2 3.48Å; A47-T51 PolarHBondContact O-N 3.44Å; A47-T51 PolarHBondContact O-OG1 2.78Å; I48-T51 PolarHBondContact O-OG1 2.95Å; T51-I54 PolarHBondContact O-N 2.84Å; T51-G55 PolarHBondContact O-N 3.41Å; T51-C127 HydrophobicContact CG2-CB 4.07Å; T51-C127 WeakPolarHBondContact CG2-O 3.36Å; T51-L130 HydrophobicContact CG2-CB 4.42Å; T51-L130 HydrophobicContact CG2-CD2 3.86Å; T51-L130 HydrophobicContact CG2-CG 4.27Å; T51-F131 VanDerWaalsContact OG1-CB 3.29Å; T51-F131 WeakPolarHBondContact OG1-CB 3.47Å; T51-F131 WeakPolarHBondContact OG1-CD2 3.41Å |
| 52 | A | 97.8 | Very high | 96.9 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I48 I54 G55 Y56 F131 | I48-A52 WeakPolarHBondContact O-CB 3.29Å; I48-A52 PolarHBondContact O-N 3.38Å; A52-I54 VanDerWaalsContact C-N 3.33Å; A52-I54 PolarHBondContact O-N 3.39Å; A52-G55 PolarHBondContact O-N 3.39Å; A52-Y56 HydrophobicContact CB-CD2 4.36Å; A52-Y56 WeakPolarHBondContact O-CB 3.3Å; A52-Y56 VanDerWaalsContact O-CD2 3.27Å; A52-Y56 WeakPolarHBondContact O-CD2 3.37Å; A52-Y56 PolarHBondContact O-N 3.39Å; A52-F131 HydrophobicContact CB-CD2 4.17Å; A52-F131 HydrophobicContact CB-CE2 3.72Å |
| 53 | Y | 98.3 | Very high | 96.8 | Very high | 121 Ų | 121 | 48.1 Ų | 48.1 | 48% | 0.475 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 176.1 | 179.1 | -88.9 | 0 | 0 | 0 | 111.4 | C49 I50 G55 V57 D58 L73 | C49-Y53 PolarHBondContact O-N 3.46Å; C49-Y53 VanDerWaalsContact O-N 3.08Å; I50-Y53 PolarHBondContact O-N 3.01Å; Y53-G55 PolarHBondContact O-N 3.09Å; Y53-V57 HydrophobicContact CD2-CB 3.89Å; Y53-V57 HydrophobicContact CD2-CG1 4.2Å; Y53-V57 HydrophobicContact CD2-CG2 4.03Å; Y53-V57 HydrophobicContact CE2-CB 3.82Å; Y53-V57 HydrophobicContact CE2-CG1 3.62Å; Y53-V57 HydrophobicContact CE2-CG2 4.27Å; Y53-V57 HydrophobicContact CG-CB 4.37Å; Y53-V57 WeakPolarHBondContact O-CA 3.45Å; Y53-V57 WeakPolarHBondContact O-CB 3.31Å; Y53-V57 PolarHBondContact O-N 3.44Å; Y53-D58 HydrophobicContact CD1-CB 4.18Å; Y53-D58 HydrophobicContact CE1-CB 3.86Å; Y53-D58 PolarHBondContact O-N 2.79Å; Y53-L73 HydrophobicContact CD1-CD2 3.75Å; Y53-L73 HydrophobicContact CE1-CD2 3.8Å |
| 54 | I | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -57.2 | -50.4 | 175.4 | -69.3 | 165.7 | 0 | 0 | 0 | 110.6 | I50 T51 A52 G59 L73 Q74 A77 I124 C127 | I50-I54 HydrophobicContact CG2-CD1 3.95Å; I50-I54 WeakPolarHBondContact O-CG1 3.45Å; I50-I54 PolarHBondContact O-N 3.24Å; T51-I54 PolarHBondContact O-N 2.84Å; A52-I54 VanDerWaalsContact C-N 3.33Å; A52-I54 PolarHBondContact O-N 3.39Å; I54-G59 WeakPolarHBondContact O-CA 3.49Å; I54-G59 PolarHBondContact O-N 2.92Å; I54-L73 HydrophobicContact CD1-CG 4Å; I54-L73 HydrophobicContact CG1-CD2 3.73Å; I54-L73 HydrophobicContact CG1-CG 3.76Å; I54-Q74 HydrophobicContact CD1-CG 4.24Å; I54-Q74 HydrophobicContact CG2-CG 3.78Å; I54-A77 HydrophobicContact CD1-CB 3.78Å; I54-I124 HydrophobicContact CG2-CD1 3.7Å; I54-C127 HydrophobicContact CG2-CB 4.39Å |
| 55 | G | 94.9 | Very high | 96.4 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -67.7 | -48.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T51 A52 Y53 W61 | T51-G55 PolarHBondContact O-N 3.41Å; A52-G55 PolarHBondContact O-N 3.39Å; Y53-G55 PolarHBondContact O-N 3.09Å; G55-W61 VanDerWaalsContact O-CZ3 3.28Å; G55-W61 WeakPolarHBondContact O-CZ3 3.36Å |
| 56 | Y | 94.5 | Very high | 96.3 | Very high | 157 Ų | 157 | 50.4 Ų | 50.4 | 62% | 0.616 | 27% | 0.267 | S | S | * | . | I | π-helix | trans | -95.3 | -14.8 | -168.3 | -66.9 | -76.1 | 0 | 0 | 0 | 114.8 | A52 W61 F131 | A52-Y56 HydrophobicContact CB-CD2 4.36Å; A52-Y56 WeakPolarHBondContact O-CB 3.3Å; A52-Y56 VanDerWaalsContact O-CD2 3.27Å; A52-Y56 WeakPolarHBondContact O-CD2 3.37Å; A52-Y56 PolarHBondContact O-N 3.39Å; Y56-W61 AromaticContact CD1-CH2 3.98Å; Y56-W61 HydrophobicContact CD1-CH2 3.98Å; Y56-W61 AromaticContact CD1-CZ3 3.79Å; Y56-W61 HydrophobicContact CD1-CZ3 3.79Å; Y56-W61 AromaticContact CE1-CH2 3.55Å; Y56-W61 HydrophobicContact CE1-CH2 3.55Å; Y56-W61 AromaticContact CE1-CZ3 3.83Å; Y56-W61 HydrophobicContact CE1-CZ3 3.83Å; Y56-W61 HydrophobicContact CG-CZ3 4.37Å; Y56-F131 HydrophobicContact CE2-CZ 4.43Å |
| 57 | V | 96.7 | Very high | 96.2 | Very high | 99 Ų | 99 | 48.5 Ų | 48.5 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | I | π-helix | trans | -127.1 | -55.1 | -173.5 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | Y53 | Y53-V57 HydrophobicContact CD2-CB 3.89Å; Y53-V57 HydrophobicContact CD2-CG1 4.2Å; Y53-V57 HydrophobicContact CD2-CG2 4.03Å; Y53-V57 HydrophobicContact CE2-CB 3.82Å; Y53-V57 HydrophobicContact CE2-CG1 3.62Å; Y53-V57 HydrophobicContact CE2-CG2 4.27Å; Y53-V57 HydrophobicContact CG-CB 4.37Å; Y53-V57 WeakPolarHBondContact O-CA 3.45Å; Y53-V57 WeakPolarHBondContact O-CB 3.31Å; Y53-V57 PolarHBondContact O-N 3.44Å |
| 58 | D | 96.6 | Very high | 96.1 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -75.5 | -43.7 | -175 | -163.7 | 51.6 | 0 | 0 | 0 | 112 | Y53 L73 | Y53-D58 HydrophobicContact CD1-CB 4.18Å; Y53-D58 HydrophobicContact CE1-CB 3.86Å; Y53-D58 PolarHBondContact O-N 2.79Å; D58-L73 HydrophobicContact CB-CD2 4.32Å |
| 59 | G | 91.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 57 Ų | 57 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | trans | 75.5 | -171.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | I54 | I54-G59 WeakPolarHBondContact O-CA 3.49Å; I54-G59 PolarHBondContact O-N 2.92Å | ||
| 60 | P | 94.8 | Very high | 96 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 25% | 0.253 | 28% | 0.275 | S | S | . | . | cis | -67.2 | 171.6 | -6.5 | 30.9 | -36.3 | 0 | 0 | 0 | 112.7 | E65 T68 I124 | P60-E65 HydrophobicContact CB-CB 3.77Å; P60-E65 HydrophobicContact CB-CG 4.08Å; P60-E65 HydrophobicContact CG-CB 4.31Å; P60-T68 HydrophobicContact CG-CG2 4.21Å; P60-T68 WeakPolarHBondContact CG-OG1 3.28Å; P60-I124 HydrophobicContact CG-CB 4.32Å; P60-I124 HydrophobicContact CG-CG1 4.4Å; P60-I124 HydrophobicContact CG-CG2 4.35Å; P60-I124 WeakPolarHBondContact O-CD1 3.45Å; P60-I124 WeakPolarHBondContact O-CG1 3.4Å | ||
| 61 | W | 94.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 53.5 Ų | 53.5 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | trans | -81.6 | 124.2 | -177.6 | -175.3 | -119.4 | 0 | 0 | 0 | 111.5 | G55 Y56 F63 S64 E65 | G55-W61 VanDerWaalsContact O-CZ3 3.28Å; G55-W61 WeakPolarHBondContact O-CZ3 3.36Å; Y56-W61 AromaticContact CD1-CH2 3.98Å; Y56-W61 HydrophobicContact CD1-CH2 3.98Å; Y56-W61 AromaticContact CD1-CZ3 3.79Å; Y56-W61 HydrophobicContact CD1-CZ3 3.79Å; Y56-W61 AromaticContact CE1-CH2 3.55Å; Y56-W61 HydrophobicContact CE1-CH2 3.55Å; Y56-W61 AromaticContact CE1-CZ3 3.83Å; Y56-W61 HydrophobicContact CE1-CZ3 3.83Å; Y56-W61 HydrophobicContact CG-CZ3 4.37Å; W61-F63 HydrophobicContact CD2-CD2 4.36Å; W61-F63 AromaticContact CE2-CD2 3.49Å; W61-F63 VanDerWaalsContact CE2-CD2 3.49Å; W61-F63 HydrophobicContact CH2-CD2 4.39Å; W61-F63 HydrophobicContact CH2-CE2 4.33Å; W61-F63 AromaticContact CZ2-CD2 3.51Å; W61-F63 HydrophobicContact CZ2-CD2 3.51Å; W61-F63 AromaticContact CZ2-CE2 3.76Å; W61-F63 HydrophobicContact CZ2-CE2 3.76Å; W61-F63 AromaticContact NE1-CD2 3.47Å; W61-F63 AromaticContact NE1-CG 3.94Å; W61-F63 PolarHBondContact O-N 2.95Å; W61-F63 VanDerWaalsContact O-N 3.12Å; W61-S64 PolarHBondContact O-N 3.44Å; W61-S64 PolarHBondContact O-OG 3.22Å; W61-E65 PolarHBondContact O-N 3.4Å | ||
| 62 | P | 93.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27 | -171.2 | 18.5 | -30.9 | 0 | 0 | 0 | 114.6 | I124 A128 | P62-I124 HydrophobicContact CB-CG1 3.94Å; P62-I124 HydrophobicContact CG-CG1 4.43Å; P62-A128 HydrophobicContact CB-CB 3.71Å; P62-A128 HydrophobicContact CG-CB 3.89Å |
| 63 | F | 95.8 | Very high | 95.8 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.9 | -176.8 | -64.4 | -93.1 | 0 | 0 | 0 | 113.9 | W61 V175 T178 M179 C182 | W61-F63 HydrophobicContact CD2-CD2 4.36Å; W61-F63 AromaticContact CE2-CD2 3.49Å; W61-F63 VanDerWaalsContact CE2-CD2 3.49Å; W61-F63 HydrophobicContact CH2-CD2 4.39Å; W61-F63 HydrophobicContact CH2-CE2 4.33Å; W61-F63 AromaticContact CZ2-CD2 3.51Å; W61-F63 HydrophobicContact CZ2-CD2 3.51Å; W61-F63 AromaticContact CZ2-CE2 3.76Å; W61-F63 HydrophobicContact CZ2-CE2 3.76Å; W61-F63 AromaticContact NE1-CD2 3.47Å; W61-F63 AromaticContact NE1-CG 3.94Å; W61-F63 PolarHBondContact O-N 2.95Å; W61-F63 VanDerWaalsContact O-N 3.12Å; F63-V175 HydrophobicContact CZ-CG1 3.86Å; F63-T178 HydrophobicContact CD1-CG2 4.04Å; F63-T178 HydrophobicContact CE1-CG2 3.94Å; F63-M179 HydrophobicContact CD1-CB 4.36Å; F63-M179 HydrophobicContact CE1-CB 3.76Å; F63-M179 HydrophobicContact CE1-CG 4.45Å; F63-M179 HydrophobicContact CZ-CB 4.14Å; F63-C182 WeakPolarHBondContact O-CB 3.41Å; F63-C182 PolarHBondContact O-SG 2.79Å |
| 64 | S | 94.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -27.2 | -177.7 | 55.3 | 0 | 0 | 0 | 0 | 113 | W61 P66 | W61-S64 PolarHBondContact O-N 3.44Å; W61-S64 PolarHBondContact O-OG 3.22Å; S64-P66 WeakPolarHBondContact O-CD 3.4Å |
| 65 | E | 95 | Very high | 95.9 | Very high | 69 Ų | 69 | 56 Ų | 56 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | trans | -122.7 | 47.4 | -173.1 | -61.9 | -64.1 | 140.1 | 0 | 0 | 113.4 | P60 W61 T68 R188 | P60-E65 HydrophobicContact CB-CB 3.77Å; P60-E65 HydrophobicContact CB-CG 4.08Å; P60-E65 HydrophobicContact CG-CB 4.31Å; W61-E65 PolarHBondContact O-N 3.4Å; E65-T68 HydrophobicContact CB-CG2 3.98Å; E65-T68 VanDerWaalsContact O-CG2 3.31Å; E65-T68 WeakPolarHBondContact O-CG2 3.44Å; E65-T68 PolarHBondContact O-OG1 3.04Å; E65-R188 IonicContact OE2-CZ 3.88Å; E65-R188 IonicContact OE2-NH1 3.06Å; E65-R188 PolarHBondContact OE2-NH1 3.17Å; E65-R188 IonicContact OE2-NH2 3.77Å; E65-R188 PolarHBondContact OE2-NH2 2.86Å | ||
| 66 | P | 95.9 | Very high | 96 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 151 | 173.7 | 31.5 | -36.5 | 0 | 0 | 0 | 111.1 | S64 T68 E125 S186 R188 P189 | S64-P66 WeakPolarHBondContact O-CD 3.4Å; P66-T68 VanDerWaalsContact C-N 3.33Å; P66-E125 VanDerWaalsContact CA-CD 3.45Å; P66-E125 WeakPolarHBondContact CA-OE1 3.27Å; P66-E125 HydrophobicContact CB-CG 3.86Å; P66-E125 WeakPolarHBondContact CB-OE1 3.11Å; P66-S186 VanDerWaalsContact CG-CB 3.44Å; P66-R188 WeakPolarHBondContact O-CD 3.46Å; P66-P189 HydrophobicContact CB-CG 3.92Å; P66-P189 HydrophobicContact CG-CG 4.48Å |
| 67 | G | 95.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 51 Ų | 51 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 13 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E125 | G67-E125 PolarHBondContact N-OE1 3.23Å; G67-E125 PolarHBondContact N-OE2 3.12Å; G67-E125 VanDerWaalsContact N-OE2 3.08Å |
| 68 | T | 96.4 | Very high | 96.3 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 17% | 0.172 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 157.2 | 173.8 | 53 | 0 | 0 | 0 | 0 | 111.8 | P60 E65 P66 E121 S122 | P60-T68 HydrophobicContact CG-CG2 4.21Å; P60-T68 WeakPolarHBondContact CG-OG1 3.28Å; E65-T68 HydrophobicContact CB-CG2 3.98Å; E65-T68 VanDerWaalsContact O-CG2 3.31Å; E65-T68 WeakPolarHBondContact O-CG2 3.44Å; E65-T68 PolarHBondContact O-OG1 3.04Å; P66-T68 VanDerWaalsContact C-N 3.33Å; T68-E121 CarbonylContact O-C 3.59Å; T68-E121 WeakPolarHBondContact O-CA 3.44Å; T68-S122 PolarHBondContact O-N 2.86Å |
| 69 | K | 97.3 | Very high | 96.4 | Very high | 178 Ų | 178 | 43 Ų | 43 | 77% | 0.774 | 24% | 0.237 | S | C | * | . | B | Isolated β-bridge | trans | -59 | 143.8 | 173.1 | -69.4 | -175.5 | 177.8 | 179.2 | 0 | 111.3 | T71 | K69-T71 PolarHBondContact O-N 3.22Å |
| 70 | N | 97.2 | Very high | 96.7 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 127.9 | 179.7 | -60.1 | -9.8 | 0 | 0 | 0 | 110.4 | I75 T116 G120 E121 S122 G123 | N70-I75 HydrophobicContact CB-CD1 4.01Å; N70-I75 HydrophobicContact CB-CG1 3.72Å; N70-T116 PolarHBondContact ND2-O 2.89Å; N70-G120 PolarHBondContact N-O 3.33Å; N70-G120 VanDerWaalsContact ND2-C 3.33Å; N70-G120 WeakPolarHBondContact ND2-CA 3.37Å; N70-E121 PolarHBondContact ND2-N 2.94Å; N70-E121 WeakPolarHBondContact OD1-CA 3.34Å; N70-E121 PolarHBondContact OD1-N 2.98Å; N70-E121 PolarHBondContact OD1-O 3.44Å; N70-S122 PolarHBondContact OD1-N 3.26Å; N70-G123 WeakPolarHBondContact OD1-CA 3.41Å; N70-G123 PolarHBondContact OD1-N 3.29Å |
| 71 | T | 97.2 | Very high | 96.9 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 157.4 | 171.4 | 73.8 | 0 | 0 | 0 | 0 | 110.4 | K69 L73 Q74 I75 | K69-T71 PolarHBondContact O-N 3.22Å; T71-L73 PolarHBondContact O-N 2.92Å; T71-Q74 VanDerWaalsContact N-OE1 3.09Å; T71-Q74 PolarHBondContact O-N 3.49Å; T71-Q74 VanDerWaalsContact OG1-CG 3.25Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.22Å; T71-Q74 PolarHBondContact OG1-N 2.87Å; T71-I75 WeakPolarHBondContact O-CG1 3.45Å; T71-I75 PolarHBondContact O-N 2.93Å |
| 72 | P | 96.6 | Very high | 97.1 | Very high | 107 Ų | 107 | 38.7 Ų | 38.7 | 70% | 0.695 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -54.2 | -39.4 | 175.2 | -27.9 | 36.1 | 0 | 0 | 0 | 113.2 | I75 S76 | P72-I75 PolarHBondContact O-N 2.86Å; P72-S76 PolarHBondContact O-N 3.3Å; P72-S76 PolarHBondContact O-OG 3Å |
| 73 | L | 97.4 | Very high | 97.3 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.3 | -40.9 | 179.3 | -175.6 | 58.5 | 0 | 0 | 0 | 112.2 | I50 Y53 I54 D58 T71 S76 A77 | I50-L73 HydrophobicContact CG2-CD1 4.44Å; Y53-L73 HydrophobicContact CD1-CD2 3.75Å; Y53-L73 HydrophobicContact CE1-CD2 3.8Å; I54-L73 HydrophobicContact CD1-CG 4Å; I54-L73 HydrophobicContact CG1-CD2 3.73Å; I54-L73 HydrophobicContact CG1-CG 3.76Å; D58-L73 HydrophobicContact CB-CD2 4.32Å; T71-L73 PolarHBondContact O-N 2.92Å; L73-S76 PolarHBondContact O-N 3.47Å; L73-A77 WeakPolarHBondContact O-CB 3.47Å; L73-A77 PolarHBondContact O-N 3Å |
| 74 | Q | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 172.4 | -70.5 | 164.9 | 8.9 | 0 | 0 | 111.2 | I54 T71 S76 A77 L78 | I54-Q74 HydrophobicContact CD1-CG 4.24Å; I54-Q74 HydrophobicContact CG2-CG 3.78Å; T71-Q74 VanDerWaalsContact N-OE1 3.09Å; T71-Q74 PolarHBondContact O-N 3.49Å; T71-Q74 VanDerWaalsContact OG1-CG 3.25Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.22Å; T71-Q74 PolarHBondContact OG1-N 2.87Å; Q74-S76 VanDerWaalsContact C-N 3.34Å; Q74-S76 PolarHBondContact O-N 3.35Å; Q74-A77 PolarHBondContact O-N 3.37Å; Q74-L78 WeakPolarHBondContact O-CB 3.16Å; Q74-L78 WeakPolarHBondContact O-CG 3.17Å; Q74-L78 PolarHBondContact O-N 2.93Å |
| 75 | I | 98.2 | Very high | 97.7 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 21% | 0.205 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.2 | -47.1 | 176.2 | -66.4 | 168.7 | 0 | 0 | 0 | 110.4 | N70 T71 P72 A77 L78 V79 L117 | N70-I75 HydrophobicContact CB-CD1 4.01Å; N70-I75 HydrophobicContact CB-CG1 3.72Å; T71-I75 WeakPolarHBondContact O-CG1 3.45Å; T71-I75 PolarHBondContact O-N 2.93Å; P72-I75 PolarHBondContact O-N 2.86Å; I75-A77 PolarHBondContact O-N 2.81Å; I75-L78 PolarHBondContact O-N 2.67Å; I75-V79 HydrophobicContact CG2-CG2 4.22Å; I75-V79 WeakPolarHBondContact O-CB 3.06Å; I75-V79 VanDerWaalsContact O-CG2 3.28Å; I75-V79 WeakPolarHBondContact O-CG2 3.41Å; I75-V79 PolarHBondContact O-N 2.95Å; I75-L117 HydrophobicContact CB-CD2 4.38Å; I75-L117 HydrophobicContact CG1-CD2 4.35Å; I75-L117 HydrophobicContact CG2-CD2 3.99Å |
| 76 | S | 97.8 | Very high | 97.8 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 44% | 0.441 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60 | -46.3 | 177.6 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | P72 L73 Q74 L78 V79 I80 | P72-S76 PolarHBondContact O-N 3.3Å; P72-S76 PolarHBondContact O-OG 3Å; L73-S76 PolarHBondContact O-N 3.47Å; Q74-S76 VanDerWaalsContact C-N 3.34Å; Q74-S76 PolarHBondContact O-N 3.35Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.9Å; S76-V79 PolarHBondContact O-N 3.09Å; S76-I80 WeakPolarHBondContact O-CB 3.42Å; S76-I80 WeakPolarHBondContact O-CD1 3.44Å; S76-I80 VanDerWaalsContact O-CG1 3.24Å; S76-I80 WeakPolarHBondContact O-CG1 3.05Å; S76-I80 PolarHBondContact O-N 3.09Å |
| 77 | A | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I50 I54 L73 Q74 I75 S81 | I50-A77 HydrophobicContact CG2-CB 3.64Å; I54-A77 HydrophobicContact CD1-CB 3.78Å; L73-A77 WeakPolarHBondContact O-CB 3.47Å; L73-A77 PolarHBondContact O-N 3Å; Q74-A77 PolarHBondContact O-N 3.37Å; I75-A77 PolarHBondContact O-N 2.81Å; A77-S81 WeakPolarHBondContact O-CB 3.39Å; A77-S81 PolarHBondContact O-N 3.09Å; A77-S81 VanDerWaalsContact O-N 3.11Å; A77-S81 PolarHBondContact O-OG 3.24Å |
| 78 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.7 | -40.9 | 179 | -68.7 | 176.6 | 0 | 0 | 0 | 112.2 | Q74 I75 S76 S81 L82 I113 T116 L117 | Q74-L78 WeakPolarHBondContact O-CB 3.16Å; Q74-L78 WeakPolarHBondContact O-CG 3.17Å; Q74-L78 PolarHBondContact O-N 2.93Å; I75-L78 PolarHBondContact O-N 2.67Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.9Å; L78-S81 PolarHBondContact O-N 2.87Å; L78-L82 VanDerWaalsContact O-CB 3.27Å; L78-L82 WeakPolarHBondContact O-CB 3.35Å; L78-L82 PolarHBondContact O-N 2.95Å; L78-I113 HydrophobicContact CB-CG2 3.93Å; L78-I113 HydrophobicContact CD2-CG1 4.15Å; L78-I113 HydrophobicContact CD2-CG2 4.36Å; L78-T116 HydrophobicContact CD1-CG2 3.72Å; L78-L117 HydrophobicContact CB-CD1 4.47Å; L78-L117 HydrophobicContact CB-CD2 4.08Å; L78-L117 HydrophobicContact CB-CG 4.38Å; L78-L117 HydrophobicContact CD1-CD2 4.27Å |
| 79 | V | 98.5 | Very high | 98.2 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 177.8 | 167.8 | 0 | 0 | 0 | 0 | 112 | I5 F8 I75 S76 S81 L82 G83 L117 | I5-V79 HydrophobicContact CG2-CG2 4Å; F8-V79 HydrophobicContact CB-CG1 3.77Å; I75-V79 HydrophobicContact CG2-CG2 4.22Å; I75-V79 WeakPolarHBondContact O-CB 3.06Å; I75-V79 VanDerWaalsContact O-CG2 3.28Å; I75-V79 WeakPolarHBondContact O-CG2 3.41Å; I75-V79 PolarHBondContact O-N 2.95Å; S76-V79 PolarHBondContact O-N 3.09Å; V79-S81 PolarHBondContact O-N 3.21Å; V79-L82 PolarHBondContact O-N 3.42Å; V79-G83 PolarHBondContact O-N 3.49Å; V79-L117 HydrophobicContact CG2-CD1 3.96Å; V79-L117 HydrophobicContact CG2-CD2 4.24Å |
| 80 | I | 98.6 | Very high | 98.2 | Very high | 49 Ų | 49 | 27.1 Ų | 27.1 | 25% | 0.251 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.4 | -42.7 | 175 | -70.6 | 165.4 | 0 | 0 | 0 | 110.3 | W16 I50 S76 Y84 | W16-I80 HydrophobicContact CZ2-CG2 4.07Å; W16-I80 PolarHBondContact NE1-O 3.38Å; I50-I80 HydrophobicContact CD1-CD1 4.43Å; S76-I80 WeakPolarHBondContact O-CB 3.42Å; S76-I80 WeakPolarHBondContact O-CD1 3.44Å; S76-I80 VanDerWaalsContact O-CG1 3.24Å; S76-I80 WeakPolarHBondContact O-CG1 3.05Å; S76-I80 PolarHBondContact O-N 3.09Å; I80-Y84 PolarHBondContact O-N 3.02Å |
| 81 | S | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.6 | -38.1 | -178.8 | -52.2 | 0 | 0 | 0 | 0 | 112.8 | H43 A77 L78 V79 G83 Y84 F85 L130 | H43-S81 PolarHBondContact CE1-OG 3.48Å; A77-S81 WeakPolarHBondContact O-CB 3.39Å; A77-S81 PolarHBondContact O-N 3.09Å; A77-S81 VanDerWaalsContact O-N 3.11Å; A77-S81 PolarHBondContact O-OG 3.24Å; L78-S81 PolarHBondContact O-N 2.87Å; V79-S81 PolarHBondContact O-N 3.21Å; S81-G83 VanDerWaalsContact C-N 3.34Å; S81-G83 PolarHBondContact O-N 3.02Å; S81-Y84 WeakPolarHBondContact O-CB 3.31Å; S81-Y84 PolarHBondContact O-N 3.4Å; S81-F85 WeakPolarHBondContact O-CD2 3.31Å; S81-F85 PolarHBondContact O-N 3.08Å; S81-L130 VanDerWaalsContact OG-CD2 3.25Å; S81-L130 WeakPolarHBondContact OG-CD2 3.32Å |
| 82 | L | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.2 | -178.1 | 58.9 | 0 | 0 | 0 | 111.3 | T9 L78 V79 Y84 F85 L86 I110 I113 I114 L117 | T9-L82 HydrophobicContact CG2-CB 4.22Å; T9-L82 HydrophobicContact CG2-CD2 3.66Å; T9-L82 HydrophobicContact CG2-CG 3.7Å; L78-L82 VanDerWaalsContact O-CB 3.27Å; L78-L82 WeakPolarHBondContact O-CB 3.35Å; L78-L82 PolarHBondContact O-N 2.95Å; V79-L82 PolarHBondContact O-N 3.42Å; L82-Y84 VanDerWaalsContact C-N 3.29Å; L82-Y84 PolarHBondContact O-N 3.05Å; L82-F85 PolarHBondContact O-N 3.45Å; L82-L86 HydrophobicContact CD1-CD1 4.28Å; L82-L86 HydrophobicContact CD1-CG 4.25Å; L82-L86 HydrophobicContact CG-CD1 4.13Å; L82-L86 WeakPolarHBondContact O-CB 3.41Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.92Å; L82-I110 HydrophobicContact CD1-CB 4.42Å; L82-I110 HydrophobicContact CD1-CG1 4.45Å; L82-I110 HydrophobicContact CD1-CG2 3.97Å; L82-I113 HydrophobicContact CB-CG2 3.9Å; L82-I113 HydrophobicContact CD1-CB 4.48Å; L82-I113 HydrophobicContact CD1-CG2 4.37Å; L82-I113 HydrophobicContact CD2-CG2 4.27Å; L82-I113 HydrophobicContact CG-CG2 4.41Å; L82-I114 HydrophobicContact CD1-CD1 4.35Å; L82-I114 HydrophobicContact CD1-CG1 4Å; L82-I114 HydrophobicContact CD2-CG1 3.89Å; L82-L117 HydrophobicContact CD2-CD1 4.07Å |
| 83 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L13 V79 S81 F87 | L13-G83 WeakPolarHBondContact CD1-O 3.5Å; V79-G83 PolarHBondContact O-N 3.49Å; S81-G83 VanDerWaalsContact C-N 3.34Å; S81-G83 PolarHBondContact O-N 3.02Å; G83-F87 PolarHBondContact O-N 3.18Å |
| 84 | Y | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -51.4 | 174.3 | 167.4 | -95.4 | 0 | 0 | 0 | 111.9 | W16 V39 T40 H43 I80 S81 L82 L86 F87 D88 | W16-Y84 VanDerWaalsContact CD1-CA 3.48Å; W16-Y84 VanDerWaalsContact CD1-N 3.29Å; W16-Y84 HydrophobicContact CD2-CD2 4.26Å; W16-Y84 HydrophobicContact CE3-CD2 4.45Å; V39-Y84 HydrophobicContact CG1-CD2 4.24Å; V39-Y84 HydrophobicContact CG1-CE2 4.1Å; T40-Y84 VanDerWaalsContact CA-OH 3.31Å; T40-Y84 WeakPolarHBondContact CA-OH 3.45Å; T40-Y84 WeakPolarHBondContact CB-OH 3.48Å; T40-Y84 WeakPolarHBondContact CG2-OH 3.36Å; T40-Y84 PolarHBondContact OG1-OH 3.39Å; H43-Y84 HydrophobicContact CB-CD1 4.11Å; H43-Y84 HydrophobicContact CB-CD2 3.4Å; H43-Y84 VanDerWaalsContact CB-CD2 3.4Å; H43-Y84 HydrophobicContact CB-CE1 4.3Å; H43-Y84 HydrophobicContact CB-CE2 3.6Å; H43-Y84 HydrophobicContact CB-CG 3.68Å; H43-Y84 AromaticContact CD2-CD1 3.04Å; H43-Y84 WeakPolarHBondContact CD2-CD1 3.5Å; H43-Y84 AromaticContact CD2-CE1 3.32Å; H43-Y84 WeakPolarHBondContact CD2-CE1 3.43Å; H43-Y84 AromaticContact CD2-CG 3.48Å; H43-Y84 VanDerWaalsContact CD2-CG 3.48Å; H43-Y84 AromaticContact CD2-CZ 3.92Å; H43-Y84 AromaticContact CE1-CD1 3.83Å; H43-Y84 AromaticContact CE1-CG 3.91Å; H43-Y84 AromaticContact CG-CD1 3.34Å; H43-Y84 AromaticContact CG-CD2 3.51Å; H43-Y84 AromaticContact CG-CE1 3.82Å; H43-Y84 AromaticContact CG-CE2 3.95Å; H43-Y84 AromaticContact CG-CG 3.18Å; H43-Y84 WeakPolarHBondContact ND1-CB 3.1Å; H43-Y84 AromaticContact ND1-CD1 3.8Å; H43-Y84 AromaticContact ND1-CG 3.48Å; H43-Y84 AromaticContact NE2-CD1 3.39Å; H43-Y84 WeakPolarHBondContact NE2-CD1 3.36Å; H43-Y84 AromaticContact NE2-CE1 4Å; H43-Y84 AromaticContact NE2-CG 3.92Å; I80-Y84 PolarHBondContact O-N 3.02Å; S81-Y84 WeakPolarHBondContact O-CB 3.31Å; S81-Y84 PolarHBondContact O-N 3.4Å; L82-Y84 VanDerWaalsContact C-N 3.29Å; L82-Y84 PolarHBondContact O-N 3.05Å; Y84-L86 VanDerWaalsContact C-N 3.26Å; Y84-L86 PolarHBondContact O-N 3.4Å; Y84-F87 WeakPolarHBondContact O-CA 3.32Å; Y84-F87 WeakPolarHBondContact O-CB 3.45Å; Y84-F87 PolarHBondContact O-N 3.3Å; Y84-D88 HydrophobicContact CE1-CB 3.94Å; Y84-D88 HydrophobicContact CE2-CB 4.17Å; Y84-D88 WeakPolarHBondContact O-CB 3.21Å; Y84-D88 PolarHBondContact O-N 2.94Å; Y84-D88 PolarHBondContact OH-OD1 3.33Å; Y84-D88 PolarHBondContact OH-OD2 3.19Å |
| 85 | F | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -33.3 | -175.5 | -76.5 | -58.4 | 0 | 0 | 0 | 112.6 | S81 L82 M89 H106 T109 I110 I113 L130 E134 | S81-F85 WeakPolarHBondContact O-CD2 3.31Å; S81-F85 PolarHBondContact O-N 3.08Å; L82-F85 PolarHBondContact O-N 3.45Å; F85-M89 WeakPolarHBondContact O-CB 3.47Å; F85-M89 PolarHBondContact O-N 2.93Å; F85-H106 AromaticContact CD1-CE1 3.93Å; F85-H106 AromaticContact CD1-ND1 3.39Å; F85-H106 WeakPolarHBondContact CD1-ND1 3.34Å; F85-H106 AromaticContact CE1-ND1 3.84Å; F85-T109 HydrophobicContact CD2-CG2 3.68Å; F85-T109 HydrophobicContact CE1-CG2 4.23Å; F85-T109 HydrophobicContact CE2-CG2 3.37Å; F85-T109 HydrophobicContact CG-CG2 4.26Å; F85-T109 HydrophobicContact CZ-CG2 3.67Å; F85-I110 HydrophobicContact CB-CD1 4.18Å; F85-I110 HydrophobicContact CB-CG1 3.68Å; F85-I113 HydrophobicContact CD2-CD1 3.87Å; F85-I113 HydrophobicContact CE2-CD1 4.06Å; F85-L130 HydrophobicContact CE2-CD1 3.72Å; F85-L130 HydrophobicContact CZ-CD1 4Å; F85-E134 WeakPolarHBondContact CZ-OE1 3.23Å |
| 86 | L | 98.7 | Very high | 97.9 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 33% | 0.33 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 172.4 | -71.5 | 171.3 | 0 | 0 | 0 | 111.8 | T9 L13 L82 Y84 A90 I110 | T9-L86 HydrophobicContact CG2-CD1 3.96Å; L13-L86 HydrophobicContact CD1-CB 3.76Å; L82-L86 HydrophobicContact CD1-CD1 4.28Å; L82-L86 HydrophobicContact CD1-CG 4.25Å; L82-L86 HydrophobicContact CG-CD1 4.13Å; L82-L86 WeakPolarHBondContact O-CB 3.41Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.92Å; Y84-L86 VanDerWaalsContact C-N 3.26Å; Y84-L86 PolarHBondContact O-N 3.4Å; L86-A90 WeakPolarHBondContact O-CB 3.48Å; L86-A90 PolarHBondContact O-N 3Å; L86-A90 VanDerWaalsContact O-N 3.1Å; L86-I110 HydrophobicContact CD2-CD1 4.26Å; L86-I110 HydrophobicContact CD2-CG2 4.13Å |
| 87 | F | 98.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -51 | 173.7 | 161.1 | -95.4 | 0 | 0 | 0 | 111.1 | L13 W16 A17 Y20 V39 G83 Y84 A90 W91 | L13-F87 HydrophobicContact CD1-CB 3.78Å; L13-F87 VanDerWaalsContact CD1-N 3.35Å; W16-F87 HydrophobicContact CB-CB 4.33Å; W16-F87 HydrophobicContact CB-CD1 4.44Å; W16-F87 HydrophobicContact CB-CG 4.29Å; A17-F87 HydrophobicContact CB-CD2 4.01Å; A17-F87 HydrophobicContact CB-CE2 4.34Å; Y20-F87 HydrophobicContact CD1-CE2 4.2Å; Y20-F87 HydrophobicContact CD1-CZ 4.22Å; Y20-F87 AromaticContact CD2-CZ 3.97Å; Y20-F87 HydrophobicContact CD2-CZ 3.97Å; Y20-F87 HydrophobicContact CG-CE2 4.01Å; Y20-F87 AromaticContact CG-CZ 3.63Å; Y20-F87 HydrophobicContact CG-CZ 3.63Å; V39-F87 HydrophobicContact CB-CE1 4.4Å; V39-F87 HydrophobicContact CG1-CD1 4.41Å; V39-F87 HydrophobicContact CG1-CE1 3.94Å; G83-F87 PolarHBondContact O-N 3.18Å; Y84-F87 WeakPolarHBondContact O-CA 3.32Å; Y84-F87 WeakPolarHBondContact O-CB 3.45Å; Y84-F87 PolarHBondContact O-N 3.3Å; F87-A90 PolarHBondContact O-N 3.39Å; F87-W91 WeakPolarHBondContact O-CB 3.49Å; F87-W91 PolarHBondContact O-N 3.24Å |
| 88 | D | 98.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -39.7 | -174.9 | -163.4 | 38.7 | 0 | 0 | 0 | 111.7 | Y84 W91 C92 H106 | Y84-D88 HydrophobicContact CE1-CB 3.94Å; Y84-D88 HydrophobicContact CE2-CB 4.17Å; Y84-D88 WeakPolarHBondContact O-CB 3.21Å; Y84-D88 PolarHBondContact O-N 2.94Å; Y84-D88 PolarHBondContact OH-OD1 3.33Å; Y84-D88 PolarHBondContact OH-OD2 3.19Å; D88-W91 PolarHBondContact O-N 3.42Å; D88-C92 WeakPolarHBondContact O-CB 3.47Å; D88-C92 PolarHBondContact O-N 3.28Å; D88-C92 PolarHBondContact O-SG 3.17Å; D88-H106 IonicContact OD2-CE1 2.78Å; D88-H106 PolarHBondContact OD2-CE1 2.6Å; D88-H106 IonicContact OD2-ND1 3.61Å; D88-H106 IonicContact OD2-NE2 3.87Å |
| 89 | M | 97.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 172.5 | 177 | 63.1 | 84.9 | 0 | 0 | 111.3 | F85 W91 C92 L93 L103 H106 T107 I110 | F85-M89 WeakPolarHBondContact O-CB 3.47Å; F85-M89 PolarHBondContact O-N 2.93Å; M89-W91 VanDerWaalsContact C-N 3.28Å; M89-W91 PolarHBondContact O-N 3Å; M89-C92 PolarHBondContact O-N 3.15Å; M89-L93 HydrophobicContact CG-CD1 3.94Å; M89-L93 HydrophobicContact CG-CG 4.44Å; M89-L93 WeakPolarHBondContact O-CB 3.38Å; M89-L93 VanDerWaalsContact O-CG 3.29Å; M89-L93 WeakPolarHBondContact O-CG 3.4Å; M89-L93 PolarHBondContact O-N 3.02Å; M89-L93 HydrophobicContact SD-CD1 3.94Å; M89-L93 HydrophobicContact SD-CG 4Å; M89-L103 WeakPolarHBondContact CE-O 3.3Å; M89-L103 HydrophobicContact SD-CD2 3.95Å; M89-H106 HydrophobicContact CE-CB 3.4Å; M89-H106 VanDerWaalsContact CE-CB 3.4Å; M89-H106 HydrophobicContact SD-CB 4.48Å; M89-T107 VanDerWaalsContact CE-OG1 3.23Å; M89-T107 WeakPolarHBondContact CE-OG1 3.49Å; M89-I110 HydrophobicContact CB-CD1 4.04Å; M89-I110 HydrophobicContact CE-CD1 4.18Å; M89-I110 HydrophobicContact CG-CD1 4.37Å |
| 90 | A | 98.2 | Very high | 96.7 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 49% | 0.488 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -41 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L86 F87 Y94 | L86-A90 WeakPolarHBondContact O-CB 3.48Å; L86-A90 PolarHBondContact O-N 3Å; L86-A90 VanDerWaalsContact O-N 3.1Å; F87-A90 PolarHBondContact O-N 3.39Å; A90-Y94 VanDerWaalsContact O-CB 3.32Å; A90-Y94 WeakPolarHBondContact O-CB 3.44Å; A90-Y94 PolarHBondContact O-N 3.18Å |
| 91 | W | 98.3 | Very high | 96.6 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 176.9 | -167.4 | 95 | 0 | 0 | 0 | 111.9 | Y20 E33 C36 F87 D88 M89 L93 Y94 F95 T97 | Y20-W91 AromaticContact CE2-NE1 3.58Å; Y20-W91 AromaticContact CZ-CD1 3.95Å; Y20-W91 AromaticContact CZ-NE1 3.4Å; Y20-W91 PolarHBondContact OH-NE1 3.39Å; Y20-W91 VanDerWaalsContact OH-NE1 3.14Å; E33-W91 VanDerWaalsContact CA-CH2 3.47Å; E33-W91 HydrophobicContact CB-CH2 3.65Å; E33-W91 HydrophobicContact CB-CZ2 4.16Å; E33-W91 HydrophobicContact CG-CH2 3.7Å; E33-W91 HydrophobicContact CG-CZ3 4.34Å; C36-W91 HydrophobicContact CB-CD2 3.77Å; C36-W91 VanDerWaalsContact CB-CE2 3.47Å; C36-W91 HydrophobicContact CB-CE3 4.05Å; C36-W91 HydrophobicContact CB-CG 4.41Å; C36-W91 HydrophobicContact CB-CH2 3.97Å; C36-W91 HydrophobicContact CB-CZ2 3.63Å; C36-W91 HydrophobicContact CB-CZ3 4.11Å; C36-W91 VanDerWaalsContact SG-CE3 3.53Å; F87-W91 WeakPolarHBondContact O-CB 3.49Å; F87-W91 PolarHBondContact O-N 3.24Å; D88-W91 PolarHBondContact O-N 3.42Å; M89-W91 VanDerWaalsContact C-N 3.28Å; M89-W91 PolarHBondContact O-N 3Å; W91-L93 VanDerWaalsContact C-N 3.35Å; W91-L93 PolarHBondContact O-N 3.37Å; W91-Y94 PolarHBondContact O-N 3.19Å; W91-F95 AromaticContact CD1-CD2 3.79Å; W91-F95 AromaticContact CD1-CE2 3.7Å; W91-F95 AromaticContact CD2-CD2 3.68Å; W91-F95 HydrophobicContact CD2-CD2 3.68Å; W91-F95 HydrophobicContact CD2-CE2 4.31Å; W91-F95 AromaticContact CE2-CD2 3.27Å; W91-F95 AromaticContact CE2-CE2 3.62Å; W91-F95 HydrophobicContact CE3-CD2 4.39Å; W91-F95 AromaticContact CG-CD2 3.94Å; W91-F95 HydrophobicContact CG-CD2 3.94Å; W91-F95 HydrophobicContact CG-CE2 4.31Å; W91-F95 HydrophobicContact CH2-CB 4.21Å; W91-F95 HydrophobicContact CH2-CD2 4.28Å; W91-F95 HydrophobicContact CH2-CG 4.32Å; W91-F95 HydrophobicContact CZ2-CB 4.33Å; W91-F95 AromaticContact CZ2-CD2 3.6Å; W91-F95 HydrophobicContact CZ2-CD2 3.6Å; W91-F95 HydrophobicContact CZ2-CE2 4.05Å; W91-F95 AromaticContact CZ2-CG 3.95Å; W91-F95 HydrophobicContact CZ2-CG 3.95Å; W91-F95 HydrophobicContact CZ3-CB 4.41Å; W91-F95 AromaticContact NE1-CD2 3.41Å; W91-F95 AromaticContact NE1-CE2 3.24Å; W91-F95 WeakPolarHBondContact O-CD2 3.29Å; W91-F95 PolarHBondContact O-N 2.96Å; W91-T97 HydrophobicContact CH2-CG2 3.61Å; W91-T97 HydrophobicContact CZ3-CG2 3.55Å; W91-T97 VanDerWaalsContact CZ3-OG1 3.25Å; W91-T97 WeakPolarHBondContact CZ3-OG1 3.36Å |
| 92 | C | 97 | Very high | 96.4 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 178.8 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | D88 M89 H96 T97 E98 L103 | D88-C92 WeakPolarHBondContact O-CB 3.47Å; D88-C92 PolarHBondContact O-N 3.28Å; D88-C92 PolarHBondContact O-SG 3.17Å; M89-C92 PolarHBondContact O-N 3.15Å; C92-H96 VanDerWaalsContact O-CA 3.29Å; C92-H96 WeakPolarHBondContact O-CA 3.46Å; C92-H96 PolarHBondContact O-N 3.44Å; C92-T97 PolarHBondContact O-N 3.29Å; C92-E98 HydrophobicContact CB-CB 4.38Å; C92-E98 HydrophobicContact CB-CG 4.24Å; C92-E98 VanDerWaalsContact SG-CG 3.56Å; C92-L103 HydrophobicContact CB-CD2 3.9Å |
| 93 | L | 97 | Very high | 96.3 | Very high | 94 Ų | 94 | 53 Ų | 53 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69 | -39.2 | 175.8 | -71.7 | 174 | 0 | 0 | 0 | 112.1 | M89 W91 H96 L103 | M89-L93 HydrophobicContact CG-CD1 3.94Å; M89-L93 HydrophobicContact CG-CG 4.44Å; M89-L93 WeakPolarHBondContact O-CB 3.38Å; M89-L93 VanDerWaalsContact O-CG 3.29Å; M89-L93 WeakPolarHBondContact O-CG 3.4Å; M89-L93 PolarHBondContact O-N 3.02Å; M89-L93 HydrophobicContact SD-CD1 3.94Å; M89-L93 HydrophobicContact SD-CG 4Å; W91-L93 VanDerWaalsContact C-N 3.35Å; W91-L93 PolarHBondContact O-N 3.37Å; L93-H96 PolarHBondContact O-CE1 2.98Å; L93-H96 VanDerWaalsContact O-CE1 3.25Å; L93-H96 PolarHBondContact O-ND1 3.12Å; L93-L103 HydrophobicContact CD2-CD1 4.2Å; L93-L103 HydrophobicContact CD2-CD2 4.37Å |
| 94 | Y | 97.1 | Very high | 96.2 | Very high | 178 Ų | 178 | 54.6 Ų | 54.6 | 70% | 0.698 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -71.4 | -42.5 | 179.9 | -178.6 | -92.1 | 0 | 0 | 0 | 112.5 | A90 W91 | A90-Y94 VanDerWaalsContact O-CB 3.32Å; A90-Y94 WeakPolarHBondContact O-CB 3.44Å; A90-Y94 PolarHBondContact O-N 3.18Å; W91-Y94 PolarHBondContact O-N 3.19Å |
| 95 | F | 95.9 | Very high | 96.1 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 34% | 0.342 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -92.9 | -5.8 | -177.8 | -73.8 | -76.8 | 0 | 0 | 0 | 114.3 | Y32 W91 T97 | Y32-F95 HydrophobicContact CD2-CE1 4.36Å; Y32-F95 HydrophobicContact CD2-CZ 4.5Å; Y32-F95 HydrophobicContact CG-CZ 4.46Å; W91-F95 AromaticContact CD1-CD2 3.79Å; W91-F95 AromaticContact CD1-CE2 3.7Å; W91-F95 AromaticContact CD2-CD2 3.68Å; W91-F95 HydrophobicContact CD2-CD2 3.68Å; W91-F95 HydrophobicContact CD2-CE2 4.31Å; W91-F95 AromaticContact CE2-CD2 3.27Å; W91-F95 AromaticContact CE2-CE2 3.62Å; W91-F95 HydrophobicContact CE3-CD2 4.39Å; W91-F95 AromaticContact CG-CD2 3.94Å; W91-F95 HydrophobicContact CG-CD2 3.94Å; W91-F95 HydrophobicContact CG-CE2 4.31Å; W91-F95 HydrophobicContact CH2-CB 4.21Å; W91-F95 HydrophobicContact CH2-CD2 4.28Å; W91-F95 HydrophobicContact CH2-CG 4.32Å; W91-F95 HydrophobicContact CZ2-CB 4.33Å; W91-F95 AromaticContact CZ2-CD2 3.6Å; W91-F95 HydrophobicContact CZ2-CD2 3.6Å; W91-F95 HydrophobicContact CZ2-CE2 4.05Å; W91-F95 AromaticContact CZ2-CG 3.95Å; W91-F95 HydrophobicContact CZ2-CG 3.95Å; W91-F95 HydrophobicContact CZ3-CB 4.41Å; W91-F95 AromaticContact NE1-CD2 3.41Å; W91-F95 AromaticContact NE1-CE2 3.24Å; W91-F95 WeakPolarHBondContact O-CD2 3.29Å; W91-F95 PolarHBondContact O-N 2.96Å; F95-T97 VanDerWaalsContact C-N 3.28Å; F95-T97 HydrophobicContact CB-CG2 3.66Å; F95-T97 PolarHBondContact O-N 2.91Å |
| 96 | H | 94.3 | Very high | 96.1 | Very high | 165 Ų | 165 | 55.5 Ų | 55.5 | 76% | 0.764 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 41.5 | -179.2 | -58.1 | -67.9 | 0 | 0 | 0 | 113.8 | C92 L93 | C92-H96 VanDerWaalsContact O-CA 3.29Å; C92-H96 WeakPolarHBondContact O-CA 3.46Å; C92-H96 PolarHBondContact O-N 3.44Å; L93-H96 PolarHBondContact O-CE1 2.98Å; L93-H96 VanDerWaalsContact O-CE1 3.25Å; L93-H96 PolarHBondContact O-ND1 3.12Å |
| 97 | T | 88.6 | Confident | 96 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 26% | 0.264 | 30% | 0.299 | S | S | . | . | trans | -88.9 | -21.1 | -170.5 | 46.5 | 0 | 0 | 0 | 0 | 114.4 | W91 C92 F95 | W91-T97 HydrophobicContact CH2-CG2 3.61Å; W91-T97 HydrophobicContact CZ3-CG2 3.55Å; W91-T97 VanDerWaalsContact CZ3-OG1 3.25Å; W91-T97 WeakPolarHBondContact CZ3-OG1 3.36Å; C92-T97 PolarHBondContact O-N 3.29Å; F95-T97 VanDerWaalsContact C-N 3.28Å; F95-T97 HydrophobicContact CB-CG2 3.66Å; F95-T97 PolarHBondContact O-N 2.91Å | ||
| 98 | E | 92.2 | Very high | 95.9 | Very high | 43 Ų | 43 | 57 Ų | 57 | 20% | 0.201 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -118.8 | 148.8 | -171.4 | -66.6 | -60 | 162.4 | 0 | 0 | 112.9 | R37 C92 M102 L103 | R37-E98 IonicContact CZ-OE1 3.41Å; R37-E98 IonicContact NH1-OE1 2.67Å; R37-E98 PolarHBondContact NH1-OE1 3.33Å; R37-E98 IonicContact NH2-OE1 3.2Å; R37-E98 PolarHBondContact NH2-OE1 3.37Å; C92-E98 HydrophobicContact CB-CB 4.38Å; C92-E98 HydrophobicContact CB-CG 4.24Å; C92-E98 VanDerWaalsContact SG-CG 3.56Å; E98-M102 HydrophobicContact CB-CB 4.14Å; E98-M102 HydrophobicContact CB-CG 4.18Å; E98-M102 HydrophobicContact CG-CG 4.16Å; E98-M102 HydrophobicContact CG-SD 4.45Å; E98-L103 HydrophobicContact CB-CD2 4.42Å |
| 99 | G | 92.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | trans | -76.6 | 164.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V101 M102 L103 | G99-V101 VanDerWaalsContact C-N 3.27Å; G99-V101 PolarHBondContact O-N 3.48Å; G99-M102 PolarHBondContact O-N 2.88Å; G99-L103 PolarHBondContact O-N 2.92Å; G99-L103 VanDerWaalsContact O-N 3.09Å | ||
| 100 | L | 94.2 | Very high | 95.9 | Very high | 149 Ų | 149 | 56.8 Ų | 56.8 | 78% | 0.78 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.4 | -37 | -177 | -66.1 | 178.3 | 0 | 0 | 0 | 113.9 | M102 L103 A104 | L100-M102 VanDerWaalsContact C-N 3.34Å; L100-M102 PolarHBondContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 3.01Å; L100-A104 VanDerWaalsContact O-CB 3.29Å; L100-A104 WeakPolarHBondContact O-CB 3.33Å; L100-A104 PolarHBondContact O-N 2.9Å |
| 101 | V | 94.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 111 | G99 H105 M203 A206 F207 | G99-V101 VanDerWaalsContact C-N 3.27Å; G99-V101 PolarHBondContact O-N 3.48Å; V101-H105 WeakPolarHBondContact O-CB 3.46Å; V101-H105 PolarHBondContact O-N 3.38Å; V101-M203 HydrophobicContact CG1-CE 3.67Å; V101-M203 WeakPolarHBondContact O-CE 3.26Å; V101-A206 HydrophobicContact CG1-CB 4.33Å; V101-F207 HydrophobicContact CB-CE1 4.25Å; V101-F207 HydrophobicContact CG1-CD1 3.76Å; V101-F207 HydrophobicContact CG1-CE1 3.53Å; V101-F207 HydrophobicContact CG1-CE2 4.36Å; V101-F207 HydrophobicContact CG1-CG 4.27Å; V101-F207 HydrophobicContact CG1-CZ 3.86Å |
| 102 | M | 95.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -46 | 176.4 | -170.4 | 128.2 | -70.9 | 0 | 0 | 110.7 | E98 G99 L100 A104 H105 H106 F207 | E98-M102 HydrophobicContact CB-CB 4.14Å; E98-M102 HydrophobicContact CB-CG 4.18Å; E98-M102 HydrophobicContact CG-CG 4.16Å; E98-M102 HydrophobicContact CG-SD 4.45Å; G99-M102 PolarHBondContact O-N 2.88Å; L100-M102 VanDerWaalsContact C-N 3.34Å; L100-M102 PolarHBondContact O-N 3.08Å; M102-A104 VanDerWaalsContact C-N 3.3Å; M102-A104 PolarHBondContact O-N 3.46Å; M102-H105 WeakPolarHBondContact O-CA 3.32Å; M102-H105 WeakPolarHBondContact O-CB 3.12Å; M102-H105 PolarHBondContact O-N 3.43Å; M102-H105 VanDerWaalsContact O-N 3.07Å; M102-H106 PolarHBondContact O-CD2 3.38Å; M102-H106 PolarHBondContact O-N 2.82Å; M102-F207 HydrophobicContact CE-CE1 3.76Å; M102-F207 HydrophobicContact CE-CZ 3.8Å |
| 103 | L | 96.7 | Very high | 96 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 17% | 0.173 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 176 | -64.4 | 177.8 | 0 | 0 | 0 | 112.2 | M89 C92 L93 E98 G99 L100 H106 T107 | M89-L103 WeakPolarHBondContact CE-O 3.3Å; M89-L103 HydrophobicContact SD-CD2 3.95Å; C92-L103 HydrophobicContact CB-CD2 3.9Å; L93-L103 HydrophobicContact CD2-CD1 4.2Å; L93-L103 HydrophobicContact CD2-CD2 4.37Å; E98-L103 HydrophobicContact CB-CD2 4.42Å; G99-L103 PolarHBondContact O-N 2.92Å; G99-L103 VanDerWaalsContact O-N 3.09Å; L100-L103 PolarHBondContact O-N 3.01Å; L103-H106 PolarHBondContact O-N 2.75Å; L103-T107 WeakPolarHBondContact O-CB 3.34Å; L103-T107 PolarHBondContact O-N 3.46Å; L103-T107 PolarHBondContact O-OG1 2.78Å |
| 104 | A | 97.1 | Very high | 96 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L100 M102 T107 M108 M203 | L100-A104 VanDerWaalsContact O-CB 3.29Å; L100-A104 WeakPolarHBondContact O-CB 3.33Å; L100-A104 PolarHBondContact O-N 2.9Å; M102-A104 VanDerWaalsContact C-N 3.3Å; M102-A104 PolarHBondContact O-N 3.46Å; A104-T107 WeakPolarHBondContact O-CB 3.35Å; A104-T107 PolarHBondContact O-N 2.84Å; A104-M108 VanDerWaalsContact C-CE 3.47Å; A104-M108 HydrophobicContact CB-CE 3.88Å; A104-M108 WeakPolarHBondContact O-CE 3.33Å; A104-M108 PolarHBondContact O-N 2.83Å; A104-M203 HydrophobicContact CB-CE 3.97Å; A104-M203 HydrophobicContact CB-SD 4.46Å |
| 105 | H | 96.8 | Very high | 96 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 174.7 | 173.2 | 61.4 | 0 | 0 | 0 | 111.9 | V101 M102 T107 M108 T109 M203 F207 | V101-H105 WeakPolarHBondContact O-CB 3.46Å; V101-H105 PolarHBondContact O-N 3.38Å; M102-H105 WeakPolarHBondContact O-CA 3.32Å; M102-H105 WeakPolarHBondContact O-CB 3.12Å; M102-H105 PolarHBondContact O-N 3.43Å; M102-H105 VanDerWaalsContact O-N 3.07Å; H105-T107 VanDerWaalsContact C-N 3.3Å; H105-T107 PolarHBondContact O-N 2.85Å; H105-M108 PolarHBondContact O-N 2.79Å; H105-T109 WeakPolarHBondContact O-CB 3.41Å; H105-T109 PolarHBondContact O-N 2.88Å; H105-T109 PolarHBondContact O-OG1 3.08Å; H105-M203 HydrophobicContact CB-CE 3.99Å; H105-F207 HydrophobicContact CB-CE2 3.74Å; H105-F207 HydrophobicContact CB-CZ 3.74Å; H105-F207 AromaticContact CG-CE2 3.81Å |
| 106 | H | 97.3 | Very high | 96 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 6% | 0.06 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.2 | -42 | 176.2 | -76.1 | -83.7 | 0 | 0 | 0 | 111.9 | F85 D88 M89 M102 L103 T109 I110 | F85-H106 AromaticContact CD1-CE1 3.93Å; F85-H106 AromaticContact CD1-ND1 3.39Å; F85-H106 WeakPolarHBondContact CD1-ND1 3.34Å; F85-H106 AromaticContact CE1-ND1 3.84Å; D88-H106 IonicContact OD2-CE1 2.78Å; D88-H106 PolarHBondContact OD2-CE1 2.6Å; D88-H106 IonicContact OD2-ND1 3.61Å; D88-H106 IonicContact OD2-NE2 3.87Å; M89-H106 HydrophobicContact CE-CB 3.4Å; M89-H106 VanDerWaalsContact CE-CB 3.4Å; M89-H106 HydrophobicContact SD-CB 4.48Å; M102-H106 PolarHBondContact O-CD2 3.38Å; M102-H106 PolarHBondContact O-N 2.82Å; L103-H106 PolarHBondContact O-N 2.75Å; H106-T109 PolarHBondContact O-N 3.19Å; H106-I110 WeakPolarHBondContact O-CB 3.35Å; H106-I110 WeakPolarHBondContact O-CD1 3.32Å; H106-I110 WeakPolarHBondContact O-CG1 3.37Å; H106-I110 PolarHBondContact O-N 2.92Å |
| 107 | T | 97.8 | Very high | 96.2 | Very high | 65 Ų | 65 | 42.2 Ų | 42.2 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | M89 L103 A104 H105 T109 I110 L111 | M89-T107 VanDerWaalsContact CE-OG1 3.23Å; M89-T107 WeakPolarHBondContact CE-OG1 3.49Å; L103-T107 WeakPolarHBondContact O-CB 3.34Å; L103-T107 PolarHBondContact O-N 3.46Å; L103-T107 PolarHBondContact O-OG1 2.78Å; A104-T107 WeakPolarHBondContact O-CB 3.35Å; A104-T107 PolarHBondContact O-N 2.84Å; H105-T107 VanDerWaalsContact C-N 3.3Å; H105-T107 PolarHBondContact O-N 2.85Å; T107-T109 VanDerWaalsContact C-N 3.35Å; T107-T109 PolarHBondContact O-N 2.99Å; T107-I110 PolarHBondContact O-N 3.48Å; T107-L111 HydrophobicContact CG2-CD1 4.01Å; T107-L111 HydrophobicContact CG2-CG 4.48Å; T107-L111 WeakPolarHBondContact O-CB 3.46Å; T107-L111 VanDerWaalsContact O-CG 3.29Å; T107-L111 WeakPolarHBondContact O-CG 3.46Å; T107-L111 PolarHBondContact O-N 2.99Å |
| 108 | M | 97.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 48 Ų | 48 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.9 | -83.3 | 173.9 | -84.4 | 0 | 0 | 112.3 | A104 H105 L111 G112 A199 M200 M203 | A104-M108 VanDerWaalsContact C-CE 3.47Å; A104-M108 HydrophobicContact CB-CE 3.88Å; A104-M108 WeakPolarHBondContact O-CE 3.33Å; A104-M108 PolarHBondContact O-N 2.83Å; H105-M108 PolarHBondContact O-N 2.79Å; M108-L111 PolarHBondContact O-N 2.68Å; M108-G112 PolarHBondContact O-N 2.76Å; M108-A199 HydrophobicContact SD-CB 4.12Å; M108-M200 HydrophobicContact CB-SD 3.6Å; M108-M200 VanDerWaalsContact CB-SD 3.6Å; M108-M203 HydrophobicContact CE-CE 3.96Å; M108-M203 HydrophobicContact CE-CG 3.15Å; M108-M203 HydrophobicContact CE-SD 3.36Å; M108-M203 WeakPolarHBondContact CE-SD 3.08Å; M108-M203 HydrophobicContact SD-CG 3.62Å; M108-M203 HydrophobicContact SD-SD 4.45Å |
| 109 | T | 97.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | F85 H105 H106 T107 L111 G112 I113 | F85-T109 HydrophobicContact CD2-CG2 3.68Å; F85-T109 HydrophobicContact CE1-CG2 4.23Å; F85-T109 HydrophobicContact CE2-CG2 3.37Å; F85-T109 HydrophobicContact CG-CG2 4.26Å; F85-T109 HydrophobicContact CZ-CG2 3.67Å; H105-T109 WeakPolarHBondContact O-CB 3.41Å; H105-T109 PolarHBondContact O-N 2.88Å; H105-T109 PolarHBondContact O-OG1 3.08Å; H106-T109 PolarHBondContact O-N 3.19Å; T107-T109 VanDerWaalsContact C-N 3.35Å; T107-T109 PolarHBondContact O-N 2.99Å; T109-L111 PolarHBondContact O-N 2.94Å; T109-G112 PolarHBondContact O-N 3.25Å; T109-I113 HydrophobicContact CG2-CD1 3.81Å; T109-I113 HydrophobicContact CG2-CG1 4.42Å; T109-I113 WeakPolarHBondContact O-CB 3.12Å; T109-I113 VanDerWaalsContact O-CG1 3.25Å; T109-I113 WeakPolarHBondContact O-CG1 3.3Å; T109-I113 PolarHBondContact O-N 3.38Å |
| 110 | I | 98.6 | Very high | 96.9 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 176.9 | -71.1 | 163 | 0 | 0 | 0 | 110.6 | L82 F85 L86 M89 H106 T107 G112 I113 I114 | L82-I110 HydrophobicContact CD1-CB 4.42Å; L82-I110 HydrophobicContact CD1-CG1 4.45Å; L82-I110 HydrophobicContact CD1-CG2 3.97Å; F85-I110 HydrophobicContact CB-CD1 4.18Å; F85-I110 HydrophobicContact CB-CG1 3.68Å; L86-I110 HydrophobicContact CD2-CD1 4.26Å; L86-I110 HydrophobicContact CD2-CG2 4.13Å; M89-I110 HydrophobicContact CB-CD1 4.04Å; M89-I110 HydrophobicContact CE-CD1 4.18Å; M89-I110 HydrophobicContact CG-CD1 4.37Å; H106-I110 WeakPolarHBondContact O-CB 3.35Å; H106-I110 WeakPolarHBondContact O-CD1 3.32Å; H106-I110 WeakPolarHBondContact O-CG1 3.37Å; H106-I110 PolarHBondContact O-N 2.92Å; T107-I110 PolarHBondContact O-N 3.48Å; I110-G112 PolarHBondContact O-N 3.46Å; I110-I113 PolarHBondContact O-N 3.02Å; I110-I114 HydrophobicContact CG2-CD1 3.75Å; I110-I114 WeakPolarHBondContact O-CB 3.45Å; I110-I114 VanDerWaalsContact O-CG1 3.29Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 2.88Å |
| 111 | L | 98.1 | Very high | 97 | Very high | 103 Ų | 103 | 42.3 Ų | 42.3 | 54% | 0.539 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -41.3 | -179.5 | -68.2 | 176 | 0 | 0 | 0 | 112.1 | T107 M108 T109 I114 M115 | T107-L111 HydrophobicContact CG2-CD1 4.01Å; T107-L111 HydrophobicContact CG2-CG 4.48Å; T107-L111 WeakPolarHBondContact O-CB 3.46Å; T107-L111 VanDerWaalsContact O-CG 3.29Å; T107-L111 WeakPolarHBondContact O-CG 3.46Å; T107-L111 PolarHBondContact O-N 2.99Å; M108-L111 PolarHBondContact O-N 2.68Å; T109-L111 PolarHBondContact O-N 2.94Å; L111-I114 PolarHBondContact O-N 3.39Å; L111-M115 VanDerWaalsContact O-CB 3.26Å; L111-M115 WeakPolarHBondContact O-CB 3.26Å; L111-M115 PolarHBondContact O-N 3.48Å |
| 112 | G | 97.8 | Very high | 97.1 | Very high | 28 Ų | 28 | 40 Ų | 40 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.8 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M108 T109 I110 M115 T116 | M108-G112 PolarHBondContact O-N 2.76Å; T109-G112 PolarHBondContact O-N 3.25Å; I110-G112 PolarHBondContact O-N 3.46Å; G112-M115 PolarHBondContact O-N 3.11Å; G112-T116 WeakPolarHBondContact O-CB 3.45Å; G112-T116 PolarHBondContact O-N 3.02Å; G112-T116 PolarHBondContact O-OG1 3.44Å |
| 113 | I | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -47.4 | 175.5 | -65.8 | 170.1 | 0 | 0 | 0 | 110.7 | L78 L82 F85 T109 I110 M115 T116 L117 | L78-I113 HydrophobicContact CB-CG2 3.93Å; L78-I113 HydrophobicContact CD2-CG1 4.15Å; L78-I113 HydrophobicContact CD2-CG2 4.36Å; L82-I113 HydrophobicContact CB-CG2 3.9Å; L82-I113 HydrophobicContact CD1-CB 4.48Å; L82-I113 HydrophobicContact CD1-CG2 4.37Å; L82-I113 HydrophobicContact CD2-CG2 4.27Å; L82-I113 HydrophobicContact CG-CG2 4.41Å; F85-I113 HydrophobicContact CD2-CD1 3.87Å; F85-I113 HydrophobicContact CE2-CD1 4.06Å; T109-I113 HydrophobicContact CG2-CD1 3.81Å; T109-I113 HydrophobicContact CG2-CG1 4.42Å; T109-I113 WeakPolarHBondContact O-CB 3.12Å; T109-I113 VanDerWaalsContact O-CG1 3.25Å; T109-I113 WeakPolarHBondContact O-CG1 3.3Å; T109-I113 PolarHBondContact O-N 3.38Å; I110-I113 PolarHBondContact O-N 3.02Å; I113-M115 VanDerWaalsContact C-N 3.3Å; I113-M115 PolarHBondContact O-N 2.98Å; I113-T116 PolarHBondContact O-N 3.4Å; I113-L117 HydrophobicContact CG2-CD1 3.76Å; I113-L117 HydrophobicContact CG2-CG 4.26Å; I113-L117 WeakPolarHBondContact O-CB 3.45Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 2.86Å |
| 114 | I | 97.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 36.7 Ų | 36.7 | 41% | 0.405 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 177.1 | -71.8 | 169.9 | 0 | 0 | 0 | 110.5 | L82 I110 L111 L117 W118 | L82-I114 HydrophobicContact CD1-CD1 4.35Å; L82-I114 HydrophobicContact CD1-CG1 4Å; L82-I114 HydrophobicContact CD2-CG1 3.89Å; I110-I114 HydrophobicContact CG2-CD1 3.75Å; I110-I114 WeakPolarHBondContact O-CB 3.45Å; I110-I114 VanDerWaalsContact O-CG1 3.29Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 2.88Å; L111-I114 PolarHBondContact O-N 3.39Å; I114-L117 PolarHBondContact O-N 3.22Å; I114-W118 VanDerWaalsContact O-CB 3.26Å; I114-W118 WeakPolarHBondContact O-CB 3.4Å; I114-W118 PolarHBondContact O-N 2.79Å |
| 115 | M | 96.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 29% | 0.286 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.7 | -47 | 178.9 | -176.3 | 178.7 | -66.4 | 0 | 0 | 111.5 | L111 G112 I113 L117 W118 L119 L192 I193 | L111-M115 VanDerWaalsContact O-CB 3.26Å; L111-M115 WeakPolarHBondContact O-CB 3.26Å; L111-M115 PolarHBondContact O-N 3.48Å; G112-M115 PolarHBondContact O-N 3.11Å; I113-M115 VanDerWaalsContact C-N 3.3Å; I113-M115 PolarHBondContact O-N 2.98Å; M115-L117 PolarHBondContact O-N 2.98Å; M115-W118 PolarHBondContact O-N 3.32Å; M115-L119 HydrophobicContact CG-CD1 3.71Å; M115-L119 HydrophobicContact CG-CG 4.36Å; M115-L119 WeakPolarHBondContact O-CB 3.49Å; M115-L119 VanDerWaalsContact O-CG 3.32Å; M115-L119 WeakPolarHBondContact O-CG 3.5Å; M115-L119 PolarHBondContact O-N 3.36Å; M115-L119 HydrophobicContact SD-CD1 4.49Å; M115-L192 HydrophobicContact CE-CB 4.4Å; M115-L192 HydrophobicContact SD-CB 3.92Å; M115-I193 HydrophobicContact CG-CD1 4.05Å; M115-I193 HydrophobicContact SD-CD1 4.04Å |
| 116 | T | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | N70 L78 G112 I113 G120 E121 S126 | N70-T116 PolarHBondContact ND2-O 2.89Å; L78-T116 HydrophobicContact CD1-CG2 3.72Å; G112-T116 WeakPolarHBondContact O-CB 3.45Å; G112-T116 PolarHBondContact O-N 3.02Å; G112-T116 PolarHBondContact O-OG1 3.44Å; I113-T116 PolarHBondContact O-N 3.4Å; T116-G120 PolarHBondContact O-N 3.4Å; T116-E121 WeakPolarHBondContact CG2-O 3.28Å; T116-S126 PolarHBondContact OG1-OG 3.31Å |
| 117 | L | 97.3 | Very high | 97.3 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 178.5 | -70.2 | 172.8 | 0 | 0 | 0 | 112.2 | I5 I75 L78 V79 L82 I113 I114 M115 | I5-L117 HydrophobicContact CG2-CB 4.45Å; I5-L117 HydrophobicContact CG2-CD1 4.04Å; I75-L117 HydrophobicContact CB-CD2 4.38Å; I75-L117 HydrophobicContact CG1-CD2 4.35Å; I75-L117 HydrophobicContact CG2-CD2 3.99Å; L78-L117 HydrophobicContact CB-CD1 4.47Å; L78-L117 HydrophobicContact CB-CD2 4.08Å; L78-L117 HydrophobicContact CB-CG 4.38Å; L78-L117 HydrophobicContact CD1-CD2 4.27Å; V79-L117 HydrophobicContact CG2-CD1 3.96Å; V79-L117 HydrophobicContact CG2-CD2 4.24Å; L82-L117 HydrophobicContact CD2-CD1 4.07Å; I113-L117 HydrophobicContact CG2-CD1 3.76Å; I113-L117 HydrophobicContact CG2-CG 4.26Å; I113-L117 WeakPolarHBondContact O-CB 3.45Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 2.86Å; I114-L117 PolarHBondContact O-N 3.22Å; M115-L117 PolarHBondContact O-N 2.98Å |
| 118 | W | 96.1 | Very high | 97.3 | Very high | 166 Ų | 166 | 33.4 Ų | 33.4 | 63% | 0.629 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -70.8 | -44.2 | 178.9 | -177.8 | 62.1 | 0 | 0 | 0 | 112.4 | M2 I114 M115 G120 | M2-W118 VanDerWaalsContact CE-CD1 3.46Å; M2-W118 VanDerWaalsContact SD-CD1 3.6Å; I114-W118 VanDerWaalsContact O-CB 3.26Å; I114-W118 WeakPolarHBondContact O-CB 3.4Å; I114-W118 PolarHBondContact O-N 2.79Å; M115-W118 PolarHBondContact O-N 3.32Å; W118-G120 VanDerWaalsContact C-N 3.35Å |
| 119 | L | 95.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 33 Ų | 33 | 25% | 0.251 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -72.8 | -28.7 | 178.5 | -66.7 | 172.2 | 0 | 0 | 0 | 112.3 | M115 E121 L190 I193 | M115-L119 HydrophobicContact CG-CD1 3.71Å; M115-L119 HydrophobicContact CG-CG 4.36Å; M115-L119 WeakPolarHBondContact O-CB 3.49Å; M115-L119 VanDerWaalsContact O-CG 3.32Å; M115-L119 WeakPolarHBondContact O-CG 3.5Å; M115-L119 PolarHBondContact O-N 3.36Å; M115-L119 HydrophobicContact SD-CD1 4.49Å; L119-E121 HydrophobicContact CB-CG 3.94Å; L119-E121 PolarHBondContact O-N 3.13Å; L119-L190 HydrophobicContact CD1-CD1 3.97Å; L119-L190 HydrophobicContact CD2-CD1 3.8Å; L119-L190 HydrophobicContact CG-CD1 4.39Å; L119-I193 HydrophobicContact CD1-CD1 3.85Å; L119-I193 HydrophobicContact CD1-CG1 3.89Å |
| 120 | G | 96.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 22% | 0.216 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 13.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | N70 T116 W118 | N70-G120 PolarHBondContact N-O 3.33Å; N70-G120 VanDerWaalsContact ND2-C 3.33Å; N70-G120 WeakPolarHBondContact ND2-CA 3.37Å; T116-G120 PolarHBondContact O-N 3.4Å; W118-G120 VanDerWaalsContact C-N 3.35Å |
| 121 | E | 96.4 | Very high | 97.3 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 22% | 0.22 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -138.8 | 167.1 | 178.8 | 59 | 175.7 | -136.8 | 0 | 0 | 110.8 | T68 N70 T116 L119 G123 L190 | T68-E121 CarbonylContact O-C 3.59Å; T68-E121 WeakPolarHBondContact O-CA 3.44Å; N70-E121 PolarHBondContact ND2-N 2.94Å; N70-E121 WeakPolarHBondContact OD1-CA 3.34Å; N70-E121 PolarHBondContact OD1-N 2.98Å; N70-E121 PolarHBondContact OD1-O 3.44Å; T116-E121 WeakPolarHBondContact CG2-O 3.28Å; L119-E121 HydrophobicContact CB-CG 3.94Å; L119-E121 PolarHBondContact O-N 3.13Å; E121-G123 VanDerWaalsContact C-N 3.27Å; E121-G123 PolarHBondContact O-N 3.11Å; E121-L190 WeakPolarHBondContact OE1-CD1 3.23Å; E121-L190 WeakPolarHBondContact OE1-CG 3.42Å |
| 122 | S | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 67.8 | 21.8 | -178.5 | -42.2 | 0 | 0 | 0 | 0 | 115 | T68 N70 I124 E125 S126 | T68-S122 PolarHBondContact O-N 2.86Å; N70-S122 PolarHBondContact OD1-N 3.26Å; S122-I124 VanDerWaalsContact C-N 3.27Å; S122-I124 PolarHBondContact O-N 2.84Å; S122-E125 WeakPolarHBondContact CA-OE2 3.47Å; S122-E125 PolarHBondContact O-N 3.45Å; S122-S126 PolarHBondContact O-N 3.17Å; S122-S126 VanDerWaalsContact O-N 3.1Å | ||
| 123 | G | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.4 | -34 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N70 E121 S126 C127 | N70-G123 WeakPolarHBondContact OD1-CA 3.41Å; N70-G123 PolarHBondContact OD1-N 3.29Å; E121-G123 VanDerWaalsContact C-N 3.27Å; E121-G123 PolarHBondContact O-N 3.11Å; G123-S126 PolarHBondContact O-N 3.16Å; G123-C127 WeakPolarHBondContact O-CB 3.43Å; G123-C127 PolarHBondContact O-N 3.14Å; G123-C127 PolarHBondContact O-SG 2.96Å |
| 124 | I | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.3 | -42 | 177.8 | -171.5 | 60.7 | 0 | 0 | 0 | 112 | I54 P60 P62 S122 C127 A128 | I54-I124 HydrophobicContact CG2-CD1 3.7Å; P60-I124 HydrophobicContact CG-CB 4.32Å; P60-I124 HydrophobicContact CG-CG1 4.4Å; P60-I124 HydrophobicContact CG-CG2 4.35Å; P60-I124 WeakPolarHBondContact O-CD1 3.45Å; P60-I124 WeakPolarHBondContact O-CG1 3.4Å; P62-I124 HydrophobicContact CB-CG1 3.94Å; P62-I124 HydrophobicContact CG-CG1 4.43Å; S122-I124 VanDerWaalsContact C-N 3.27Å; S122-I124 PolarHBondContact O-N 2.84Å; I124-C127 PolarHBondContact O-N 3.09Å; I124-A128 WeakPolarHBondContact O-CB 3.44Å; I124-A128 PolarHBondContact O-N 3.41Å |
| 125 | E | 96.4 | Very high | 97 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 172.9 | -63.5 | 105.1 | 117.8 | 0 | 0 | 110.9 | P66 G67 S122 C127 A128 V129 E183 P189 | P66-E125 VanDerWaalsContact CA-CD 3.45Å; P66-E125 WeakPolarHBondContact CA-OE1 3.27Å; P66-E125 HydrophobicContact CB-CG 3.86Å; P66-E125 WeakPolarHBondContact CB-OE1 3.11Å; G67-E125 PolarHBondContact N-OE1 3.23Å; G67-E125 PolarHBondContact N-OE2 3.12Å; G67-E125 VanDerWaalsContact N-OE2 3.08Å; S122-E125 WeakPolarHBondContact CA-OE2 3.47Å; S122-E125 PolarHBondContact O-N 3.45Å; E125-C127 VanDerWaalsContact C-N 3.34Å; E125-C127 PolarHBondContact O-N 3.41Å; E125-A128 PolarHBondContact O-N 3.17Å; E125-A128 VanDerWaalsContact O-N 3.1Å; E125-V129 WeakPolarHBondContact O-CG2 3.35Å; E125-V129 PolarHBondContact O-N 3.37Å; E125-E183 HydrophobicContact CG-CG 4.5Å; E125-P189 WeakPolarHBondContact OE1-CG 3.24Å |
| 126 | S | 97.9 | Very high | 97 | Very high | 23 Ų | 23 | 23.2 Ų | 23.2 | 16% | 0.161 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -38.2 | 178.9 | -75.1 | 0 | 0 | 0 | 0 | 112.9 | T116 S122 G123 L130 | T116-S126 PolarHBondContact OG1-OG 3.31Å; S122-S126 PolarHBondContact O-N 3.17Å; S122-S126 VanDerWaalsContact O-N 3.1Å; G123-S126 PolarHBondContact O-N 3.16Å; S126-L130 VanDerWaalsContact O-CB 3.23Å; S126-L130 WeakPolarHBondContact O-CB 3.12Å; S126-L130 PolarHBondContact O-N 3.39Å |
| 127 | C | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 172.1 | -75.6 | 0 | 0 | 0 | 0 | 112.3 | T51 I54 G123 I124 E125 L130 F131 | T51-C127 HydrophobicContact CG2-CB 4.07Å; T51-C127 WeakPolarHBondContact CG2-O 3.36Å; I54-C127 HydrophobicContact CG2-CB 4.39Å; G123-C127 WeakPolarHBondContact O-CB 3.43Å; G123-C127 PolarHBondContact O-N 3.14Å; G123-C127 PolarHBondContact O-SG 2.96Å; I124-C127 PolarHBondContact O-N 3.09Å; E125-C127 VanDerWaalsContact C-N 3.34Å; E125-C127 PolarHBondContact O-N 3.41Å; C127-L130 PolarHBondContact O-N 3.39Å; C127-F131 WeakPolarHBondContact O-CB 3.47Å; C127-F131 PolarHBondContact O-N 2.87Å |
| 128 | A | 97.6 | Very high | 97 | Very high | 23 Ų | 23 | 24.8 Ų | 24.8 | 19% | 0.19 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.9 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P62 I124 E125 L130 F131 G132 M179 | P62-A128 HydrophobicContact CB-CB 3.71Å; P62-A128 HydrophobicContact CG-CB 3.89Å; I124-A128 WeakPolarHBondContact O-CB 3.44Å; I124-A128 PolarHBondContact O-N 3.41Å; E125-A128 PolarHBondContact O-N 3.17Å; E125-A128 VanDerWaalsContact O-N 3.1Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-F131 PolarHBondContact O-N 2.97Å; A128-G132 PolarHBondContact O-N 3.18Å; A128-M179 HydrophobicContact CB-SD 3.55Å; A128-M179 VanDerWaalsContact CB-SD 3.55Å |
| 129 | V | 97.4 | Very high | 97 | Very high | 41 Ų | 41 | 18 Ų | 18 | 25% | 0.248 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 170.9 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | E125 F131 G132 S133 M179 M200 | E125-V129 WeakPolarHBondContact O-CG2 3.35Å; E125-V129 PolarHBondContact O-N 3.37Å; V129-F131 PolarHBondContact O-N 3.3Å; V129-G132 PolarHBondContact O-N 3.08Å; V129-S133 WeakPolarHBondContact O-CB 3.19Å; V129-S133 PolarHBondContact O-N 3.37Å; V129-S133 PolarHBondContact O-OG 2.81Å; V129-S133 VanDerWaalsContact O-OG 3.08Å; V129-M179 HydrophobicContact CG2-CE 3.34Å; V129-M179 HydrophobicContact CG2-SD 4.32Å; V129-M200 HydrophobicContact CG1-CE 3.97Å |
| 130 | L | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 178.5 | -179.9 | 64.8 | 0 | 0 | 0 | 111.8 | A47 T51 S81 F85 S126 C127 A128 S133 E134 | A47-L130 HydrophobicContact CB-CD2 4.47Å; A47-L130 HydrophobicContact CB-CG 4.45Å; T51-L130 HydrophobicContact CG2-CB 4.42Å; T51-L130 HydrophobicContact CG2-CD2 3.86Å; T51-L130 HydrophobicContact CG2-CG 4.27Å; S81-L130 VanDerWaalsContact OG-CD2 3.25Å; S81-L130 WeakPolarHBondContact OG-CD2 3.32Å; F85-L130 HydrophobicContact CE2-CD1 3.72Å; F85-L130 HydrophobicContact CZ-CD1 4Å; S126-L130 VanDerWaalsContact O-CB 3.23Å; S126-L130 WeakPolarHBondContact O-CB 3.12Å; S126-L130 PolarHBondContact O-N 3.39Å; C127-L130 PolarHBondContact O-N 3.39Å; A128-L130 VanDerWaalsContact C-N 3.34Å; L130-S133 WeakPolarHBondContact CA-OG 3.01Å; L130-S133 PolarHBondContact O-N 3.26Å; L130-S133 PolarHBondContact O-OG 2.88Å; L130-E134 HydrophobicContact CD1-CG 3.88Å; L130-E134 HydrophobicContact CG-CG 4.5Å; L130-E134 VanDerWaalsContact O-CB 3.3Å; L130-E134 WeakPolarHBondContact O-CB 3.31Å; L130-E134 WeakPolarHBondContact O-CG 3.34Å; L130-E134 PolarHBondContact O-N 3.29Å |
| 131 | F | 98.4 | Very high | 97.1 | Very high | 28 Ų | 28 | 17.3 Ų | 17.3 | 12% | 0.123 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.8 | -53.8 | 173.9 | 177.7 | -103.4 | 0 | 0 | 0 | 111.3 | I48 T51 A52 Y56 C127 A128 V129 S133 E134 I135 M171 | I48-F131 HydrophobicContact CG2-CD2 4.23Å; I48-F131 HydrophobicContact CG2-CE2 3.8Å; T51-F131 VanDerWaalsContact OG1-CB 3.29Å; T51-F131 WeakPolarHBondContact OG1-CB 3.47Å; T51-F131 WeakPolarHBondContact OG1-CD2 3.41Å; A52-F131 HydrophobicContact CB-CD2 4.17Å; A52-F131 HydrophobicContact CB-CE2 3.72Å; Y56-F131 HydrophobicContact CE2-CZ 4.43Å; C127-F131 WeakPolarHBondContact O-CB 3.47Å; C127-F131 PolarHBondContact O-N 2.87Å; A128-F131 PolarHBondContact O-N 2.97Å; V129-F131 PolarHBondContact O-N 3.3Å; F131-S133 VanDerWaalsContact C-N 3.29Å; F131-S133 PolarHBondContact O-N 3.04Å; F131-E134 PolarHBondContact O-N 3.33Å; F131-I135 HydrophobicContact CE1-CD1 4.01Å; F131-I135 HydrophobicContact CE2-CD1 4.31Å; F131-I135 HydrophobicContact CZ-CD1 3.66Å; F131-I135 WeakPolarHBondContact O-CB 3.39Å; F131-I135 PolarHBondContact O-N 3.48Å; F131-M171 HydrophobicContact CD1-CE 3.99Å; F131-M171 HydrophobicContact CE1-CE 3.64Å |
| 132 | G | 96.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 10% | 0.103 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -31.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A128 V129 | A128-G132 PolarHBondContact O-N 3.18Å; V129-G132 PolarHBondContact O-N 3.08Å |
| 133 | S | 94.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.7 | -47.4 | 174.3 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | V129 L130 F131 T136 R172 | V129-S133 WeakPolarHBondContact O-CB 3.19Å; V129-S133 PolarHBondContact O-N 3.37Å; V129-S133 PolarHBondContact O-OG 2.81Å; V129-S133 VanDerWaalsContact O-OG 3.08Å; L130-S133 WeakPolarHBondContact CA-OG 3.01Å; L130-S133 PolarHBondContact O-N 3.26Å; L130-S133 PolarHBondContact O-OG 2.88Å; F131-S133 VanDerWaalsContact C-N 3.29Å; F131-S133 PolarHBondContact O-N 3.04Å; S133-T136 PolarHBondContact O-OG1 2.88Å; S133-R172 VanDerWaalsContact CA-NH2 3.33Å; S133-R172 PolarHBondContact O-NH2 3.41Å |
| 134 | E | 97.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -77.4 | -26.7 | -173.4 | -70.1 | -55.7 | 134.6 | 0 | 0 | 113.8 | A47 I48 F85 L130 F131 T136 N137 P138 | A47-E134 HydrophobicContact CB-CB 4.45Å; A47-E134 HydrophobicContact CB-CG 4.12Å; I48-E134 HydrophobicContact CG1-CB 3.96Å; F85-E134 WeakPolarHBondContact CZ-OE1 3.23Å; L130-E134 HydrophobicContact CD1-CG 3.88Å; L130-E134 HydrophobicContact CG-CG 4.5Å; L130-E134 VanDerWaalsContact O-CB 3.3Å; L130-E134 WeakPolarHBondContact O-CB 3.31Å; L130-E134 WeakPolarHBondContact O-CG 3.34Å; L130-E134 PolarHBondContact O-N 3.29Å; F131-E134 PolarHBondContact O-N 3.33Å; E134-T136 PolarHBondContact O-N 2.94Å; E134-N137 WeakPolarHBondContact O-CB 3.14Å; E134-N137 PolarHBondContact O-N 2.94Å; E134-N137 WeakPolarHBondContact OE2-CB 3.25Å; E134-N137 PolarHBondContact OE2-ND2 3.41Å; E134-P138 WeakPolarHBondContact O-CD 3.49Å |
| 135 | I | 97.5 | Very high | 97.1 | Very high | 38 Ų | 38 | 23 Ų | 23 | 20% | 0.195 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.9 | -177.8 | -159.8 | 176.5 | 0 | 0 | 0 | 113.5 | I48 F131 L167 M171 | I48-I135 HydrophobicContact CG1-CB 4.46Å; F131-I135 HydrophobicContact CE1-CD1 4.01Å; F131-I135 HydrophobicContact CE2-CD1 4.31Å; F131-I135 HydrophobicContact CZ-CD1 3.66Å; F131-I135 WeakPolarHBondContact O-CB 3.39Å; F131-I135 PolarHBondContact O-N 3.48Å; I135-L167 HydrophobicContact CD1-CD1 4.39Å; I135-L167 HydrophobicContact CG1-CD2 4.3Å; I135-L167 HydrophobicContact CG2-CD2 4.47Å; I135-L167 HydrophobicContact CG2-CG 4.4Å; I135-L167 VanDerWaalsContact O-CD2 3.29Å; I135-L167 WeakPolarHBondContact O-CD2 3.49Å; I135-M171 HydrophobicContact CD1-CE 4.48Å; I135-M171 HydrophobicContact CG2-CB 3.96Å; I135-M171 HydrophobicContact CG2-CE 4.34Å; I135-M171 HydrophobicContact CG2-CG 3.73Å |
| 136 | T | 95.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -19.4 | 175.6 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | S133 E134 L139 L140 L167 F168 | S133-T136 PolarHBondContact O-OG1 2.88Å; E134-T136 PolarHBondContact O-N 2.94Å; T136-L139 PolarHBondContact O-N 3.38Å; T136-L140 PolarHBondContact O-N 3.31Å; T136-L167 HydrophobicContact CG2-CB 4.41Å; T136-L167 HydrophobicContact CG2-CD2 4.33Å; T136-L167 HydrophobicContact CG2-CG 4.03Å; T136-F168 HydrophobicContact CG2-CB 4.17Å; T136-F168 HydrophobicContact CG2-CD2 4.47Å |
| 137 | N | 96.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 26.5 Ų | 26.5 | 11% | 0.112 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.2 | -42 | -170.4 | -168.4 | 19.2 | 0 | 0 | 0 | 113.5 | T40 E134 L139 L140 Q141 | T40-N137 VanDerWaalsContact CG2-ND2 3.32Å; T40-N137 WeakPolarHBondContact CG2-ND2 3.39Å; E134-N137 WeakPolarHBondContact O-CB 3.14Å; E134-N137 PolarHBondContact O-N 2.94Å; E134-N137 WeakPolarHBondContact OE2-CB 3.25Å; E134-N137 PolarHBondContact OE2-ND2 3.41Å; N137-L139 PolarHBondContact O-N 2.67Å; N137-L139 VanDerWaalsContact O-N 3.09Å; N137-L140 WeakPolarHBondContact O-CA 3.25Å; N137-L140 WeakPolarHBondContact O-CB 3.46Å; N137-L140 PolarHBondContact O-N 3.46Å; N137-Q141 WeakPolarHBondContact O-CG 3.34Å; N137-Q141 PolarHBondContact O-N 3.31Å; N137-Q141 PolarHBondContact OD1-NE2 2.91Å |
| 138 | P | 97.3 | Very high | 97 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 15% | 0.149 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.3 | -34.2 | 176.2 | -29.2 | 36 | 0 | 0 | 0 | 113.9 | L41 M45 I48 E134 T142 | L41-P138 HydrophobicContact CD1-CB 3.92Å; L41-P138 HydrophobicContact CD1-CG 4.41Å; M45-P138 HydrophobicContact SD-CB 4.38Å; M45-P138 HydrophobicContact SD-CG 3.86Å; I48-P138 HydrophobicContact CD1-CG 3.79Å; E134-P138 WeakPolarHBondContact O-CD 3.49Å; P138-T142 VanDerWaalsContact O-CB 3.27Å; P138-T142 WeakPolarHBondContact O-CB 3.31Å; P138-T142 PolarHBondContact O-N 3Å; P138-T142 PolarHBondContact O-OG1 3.2Å |
| 139 | L | 97.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 13% | 0.131 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73 | -39.5 | 176.3 | -62.4 | 168.9 | 0 | 0 | 0 | 111.7 | T136 N137 T142 R143 V160 L163 F164 L167 | T136-L139 PolarHBondContact O-N 3.38Å; N137-L139 PolarHBondContact O-N 2.67Å; N137-L139 VanDerWaalsContact O-N 3.09Å; L139-T142 PolarHBondContact O-N 3.39Å; L139-R143 WeakPolarHBondContact O-CB 3.39Å; L139-R143 PolarHBondContact O-N 3.1Å; L139-V160 HydrophobicContact CB-CG1 4.45Å; L139-V160 WeakPolarHBondContact O-CG1 3.44Å; L139-L163 HydrophobicContact CD1-CB 4.19Å; L139-L163 HydrophobicContact CD1-CD2 4.06Å; L139-L163 HydrophobicContact CD1-CG 3.64Å; L139-L163 HydrophobicContact CD2-CB 4.46Å; L139-L163 HydrophobicContact CD2-CD2 3.64Å; L139-L163 HydrophobicContact CD2-CG 4.09Å; L139-L163 HydrophobicContact CG-CD2 4.5Å; L139-F164 HydrophobicContact CB-CB 4.08Å; L139-F164 HydrophobicContact CB-CD2 4.24Å; L139-F164 HydrophobicContact CD1-CB 4.31Å; L139-L167 HydrophobicContact CD1-CB 4.43Å; L139-L167 HydrophobicContact CD1-CD2 3.75Å |
| 140 | L | 95 | Very high | 96.9 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 27% | 0.267 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.5 | -171.5 | 148.8 | 0 | 0 | 0 | 111.2 | T136 N137 R143 W144 F164 | T136-L140 PolarHBondContact O-N 3.31Å; N137-L140 WeakPolarHBondContact O-CA 3.25Å; N137-L140 WeakPolarHBondContact O-CB 3.46Å; N137-L140 PolarHBondContact O-N 3.46Å; L140-R143 WeakPolarHBondContact O-CB 3.25Å; L140-R143 PolarHBondContact O-N 2.92Å; L140-W144 PolarHBondContact O-N 3.39Å; L140-W144 VanDerWaalsContact O-N 3.09Å; L140-F164 HydrophobicContact CB-CD2 4.43Å; L140-F164 HydrophobicContact CB-CE2 4.14Å; L140-F164 HydrophobicContact CD1-CE2 4.17Å; L140-F164 HydrophobicContact CD1-CZ 4.33Å |
| 141 | Q | 97.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 174.8 | -60 | -47.5 | -42.9 | 0 | 0 | 111.2 | T40 L41 N137 R143 W144 F145 | T40-Q141 HydrophobicContact CG2-CG 4.13Å; L41-Q141 HydrophobicContact CB-CB 4.35Å; L41-Q141 HydrophobicContact CB-CG 4.23Å; L41-Q141 HydrophobicContact CD1-CB 4.21Å; L41-Q141 HydrophobicContact CD1-CG 4.47Å; N137-Q141 WeakPolarHBondContact O-CG 3.34Å; N137-Q141 PolarHBondContact O-N 3.31Å; N137-Q141 PolarHBondContact OD1-NE2 2.91Å; Q141-R143 VanDerWaalsContact C-N 3.3Å; Q141-R143 PolarHBondContact O-N 3.4Å; Q141-W144 WeakPolarHBondContact O-CB 3.32Å; Q141-W144 PolarHBondContact O-N 3.09Å; Q141-W144 VanDerWaalsContact O-N 3.09Å; Q141-F145 HydrophobicContact CB-CD2 4.47Å; Q141-F145 HydrophobicContact CB-CE2 4.2Å; Q141-F145 WeakPolarHBondContact O-CD2 3.19Å; Q141-F145 PolarHBondContact O-N 3.49Å |
| 142 | T | 97.7 | Very high | 96.5 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 32% | 0.319 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.6 | -45.6 | 177.2 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | P138 L139 W144 F145 L146 V160 | P138-T142 VanDerWaalsContact O-CB 3.27Å; P138-T142 WeakPolarHBondContact O-CB 3.31Å; P138-T142 PolarHBondContact O-N 3Å; P138-T142 PolarHBondContact O-OG1 3.2Å; L139-T142 PolarHBondContact O-N 3.39Å; T142-W144 VanDerWaalsContact C-N 3.33Å; T142-W144 PolarHBondContact O-N 3.05Å; T142-F145 PolarHBondContact O-N 2.98Å; T142-L146 HydrophobicContact CG2-CD1 4.19Å; T142-L146 HydrophobicContact CG2-CG 4.39Å; T142-L146 WeakPolarHBondContact O-CG 3.45Å; T142-L146 PolarHBondContact O-N 3.18Å; T142-V160 HydrophobicContact CG2-CG2 3.89Å |
| 143 | R | 96.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 23% | 0.226 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 175.6 | -176.9 | -177.5 | -179.1 | -106.7 | 4 | 112.1 | L139 L140 Q141 L146 K147 Y152 V160 D161 | L139-R143 WeakPolarHBondContact O-CB 3.39Å; L139-R143 PolarHBondContact O-N 3.1Å; L140-R143 WeakPolarHBondContact O-CB 3.25Å; L140-R143 PolarHBondContact O-N 2.92Å; Q141-R143 VanDerWaalsContact C-N 3.3Å; Q141-R143 PolarHBondContact O-N 3.4Å; R143-L146 PolarHBondContact O-N 3.4Å; R143-K147 VanDerWaalsContact NH1-NZ 3.18Å; R143-K147 VanDerWaalsContact NH2-NZ 3.13Å; R143-K147 WeakPolarHBondContact O-CG 3.49Å; R143-K147 PolarHBondContact O-N 2.88Å; R143-K147 VanDerWaalsContact O-N 3.11Å; R143-Y152 HydrophobicContact CG-CD2 4.29Å; R143-Y152 HydrophobicContact CG-CE2 3.92Å; R143-Y152 PolarHBondContact NH2-OH 3.37Å; R143-V160 HydrophobicContact CB-CG1 3.84Å; R143-D161 WeakPolarHBondContact CD-OD1 3.27Å; R143-D161 IonicContact CZ-OD1 2.88Å; R143-D161 IonicContact NE-OD1 3.19Å; R143-D161 PolarHBondContact NE-OD1 3.25Å |
| 144 | W | 97.3 | Very high | 96.3 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 176.3 | -174.5 | 100.3 | 0 | 0 | 0 | 111.3 | E33 W34 R37 L140 Q141 T142 L146 K147 Q148 | E33-W144 HydrophobicContact CB-CH2 4.38Å; E33-W144 HydrophobicContact CB-CZ2 4.03Å; E33-W144 HydrophobicContact CG-CH2 4.14Å; E33-W144 HydrophobicContact CG-CZ2 3.5Å; E33-W144 PolarHBondContact OE1-NE1 2.8Å; W34-W144 HydrophobicContact CB-CH2 3.99Å; W34-W144 HydrophobicContact CB-CZ3 4.23Å; W34-W144 HydrophobicContact CD2-CZ3 4.2Å; W34-W144 HydrophobicContact CE3-CH2 4.15Å; W34-W144 AromaticContact CE3-CZ3 3.74Å; W34-W144 HydrophobicContact CE3-CZ3 3.74Å; W34-W144 HydrophobicContact CG-CZ3 4.44Å; W34-W144 HydrophobicContact CZ3-CZ3 4.45Å; R37-W144 HydrophobicContact CB-CE3 4.16Å; R37-W144 HydrophobicContact CB-CZ3 4.21Å; R37-W144 HydrophobicContact CG-CD2 3.92Å; R37-W144 HydrophobicContact CG-CE3 3.86Å; R37-W144 HydrophobicContact CG-CH2 4.19Å; R37-W144 HydrophobicContact CG-CZ2 4.25Å; R37-W144 HydrophobicContact CG-CZ3 3.99Å; L140-W144 PolarHBondContact O-N 3.39Å; L140-W144 VanDerWaalsContact O-N 3.09Å; Q141-W144 WeakPolarHBondContact O-CB 3.32Å; Q141-W144 PolarHBondContact O-N 3.09Å; Q141-W144 VanDerWaalsContact O-N 3.09Å; T142-W144 VanDerWaalsContact C-N 3.33Å; T142-W144 PolarHBondContact O-N 3.05Å; W144-L146 VanDerWaalsContact C-N 3.34Å; W144-L146 PolarHBondContact O-N 3.47Å; W144-K147 WeakPolarHBondContact O-CB 3.38Å; W144-K147 PolarHBondContact O-N 2.75Å; W144-K147 VanDerWaalsContact O-N 3.14Å; W144-Q148 HydrophobicContact CD2-CG 3.88Å; W144-Q148 HydrophobicContact CE3-CG 3.79Å; W144-Q148 HydrophobicContact CH2-CG 3.54Å; W144-Q148 HydrophobicContact CZ2-CG 3.62Å; W144-Q148 HydrophobicContact CZ3-CB 4.35Å; W144-Q148 HydrophobicContact CZ3-CG 3.63Å; W144-Q148 WeakPolarHBondContact O-CG 3.44Å; W144-Q148 PolarHBondContact O-N 3.1Å |
| 145 | F | 97.8 | Very high | 96.1 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 11% | 0.114 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 177.3 | -70.5 | -62.4 | 0 | 0 | 0 | 113.1 | W34 R37 L38 L41 Q141 T142 K147 Q148 T149 | W34-F145 AromaticContact CD2-CD1 3.95Å; W34-F145 HydrophobicContact CD2-CD1 3.95Å; W34-F145 AromaticContact CD2-CE1 3.7Å; W34-F145 HydrophobicContact CD2-CE1 3.7Å; W34-F145 AromaticContact CE2-CD1 3.88Å; W34-F145 AromaticContact CE2-CE1 3.65Å; W34-F145 AromaticContact CE3-CD1 3.88Å; W34-F145 HydrophobicContact CE3-CD1 3.88Å; W34-F145 HydrophobicContact CE3-CE1 4.08Å; W34-F145 HydrophobicContact CG-CE1 4.1Å; W34-F145 AromaticContact CH2-CD1 3.69Å; W34-F145 HydrophobicContact CH2-CD1 3.69Å; W34-F145 HydrophobicContact CH2-CE1 4.31Å; W34-F145 AromaticContact CZ2-CD1 3.76Å; W34-F145 HydrophobicContact CZ2-CD1 3.76Å; W34-F145 AromaticContact CZ2-CE1 3.97Å; W34-F145 HydrophobicContact CZ2-CE1 3.97Å; W34-F145 AromaticContact CZ3-CD1 3.76Å; W34-F145 HydrophobicContact CZ3-CD1 3.76Å; W34-F145 HydrophobicContact CZ3-CE1 4.37Å; W34-F145 AromaticContact NE1-CE1 3.99Å; R37-F145 HydrophobicContact CB-CE1 4.19Å; R37-F145 HydrophobicContact CB-CE2 4.25Å; R37-F145 HydrophobicContact CB-CZ 3.64Å; L38-F145 HydrophobicContact CD2-CE1 4.33Å; L38-F145 HydrophobicContact CD2-CE2 4.38Å; L38-F145 HydrophobicContact CD2-CZ 3.75Å; L38-F145 HydrophobicContact CG-CE1 4.38Å; L38-F145 HydrophobicContact CG-CZ 3.93Å; L41-F145 HydrophobicContact CD2-CE2 4.45Å; Q141-F145 HydrophobicContact CB-CD2 4.47Å; Q141-F145 HydrophobicContact CB-CE2 4.2Å; Q141-F145 WeakPolarHBondContact O-CD2 3.19Å; Q141-F145 PolarHBondContact O-N 3.49Å; T142-F145 PolarHBondContact O-N 2.98Å; F145-K147 VanDerWaalsContact C-N 3.33Å; F145-Q148 PolarHBondContact O-N 3.35Å; F145-T149 WeakPolarHBondContact O-CB 3.04Å; F145-T149 WeakPolarHBondContact O-CG2 3.38Å; F145-T149 PolarHBondContact O-N 3.44Å; F145-T149 PolarHBondContact O-OG1 2.93Å |
| 146 | L | 97.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.5 | -72.2 | 174.7 | 0 | 0 | 0 | 111.7 | T142 R143 W144 T149 G150 R151 Y152 L156 V160 | T142-L146 HydrophobicContact CG2-CD1 4.19Å; T142-L146 HydrophobicContact CG2-CG 4.39Å; T142-L146 WeakPolarHBondContact O-CG 3.45Å; T142-L146 PolarHBondContact O-N 3.18Å; R143-L146 PolarHBondContact O-N 3.4Å; W144-L146 VanDerWaalsContact C-N 3.34Å; W144-L146 PolarHBondContact O-N 3.47Å; L146-T149 PolarHBondContact O-N 2.98Å; L146-T149 PolarHBondContact O-OG1 3.11Å; L146-G150 PolarHBondContact O-N 2.9Å; L146-R151 HydrophobicContact CD2-CB 3.81Å; L146-R151 PolarHBondContact O-N 3.06Å; L146-Y152 PolarHBondContact O-N 2.74Å; L146-Y152 VanDerWaalsContact O-N 3.14Å; L146-L156 HydrophobicContact CD1-CD2 4.39Å; L146-L156 HydrophobicContact CD1-CG 4.04Å; L146-L156 HydrophobicContact CD2-CD2 3.76Å; L146-L156 HydrophobicContact CD2-CG 4.28Å; L146-V160 HydrophobicContact CD1-CB 4.45Å; L146-V160 HydrophobicContact CD1-CG2 3.99Å |
| 147 | K | 96.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 54 Ų | 54 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 174.1 | -71.5 | 179.1 | 177 | -173.2 | 0 | 111.4 | R143 W144 F145 T149 G150 Y152 | R143-K147 VanDerWaalsContact NH1-NZ 3.18Å; R143-K147 VanDerWaalsContact NH2-NZ 3.13Å; R143-K147 WeakPolarHBondContact O-CG 3.49Å; R143-K147 PolarHBondContact O-N 2.88Å; R143-K147 VanDerWaalsContact O-N 3.11Å; W144-K147 WeakPolarHBondContact O-CB 3.38Å; W144-K147 PolarHBondContact O-N 2.75Å; W144-K147 VanDerWaalsContact O-N 3.14Å; F145-K147 VanDerWaalsContact C-N 3.33Å; K147-T149 PolarHBondContact O-N 3.43Å; K147-G150 PolarHBondContact O-N 2.84Å; K147-G150 VanDerWaalsContact O-N 3.13Å; K147-Y152 HydrophobicContact CG-CD1 3.97Å; K147-Y152 HydrophobicContact CG-CD2 3.95Å; K147-Y152 HydrophobicContact CG-CG 3.58Å |
| 148 | Q | 96.3 | Very high | 95.8 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.8 | -25.2 | 180 | -67.5 | -61.6 | -24.6 | 0 | 0 | 113.8 | W34 W144 F145 | W34-Q148 HydrophobicContact CE3-CB 4.17Å; W34-Q148 HydrophobicContact CZ3-CB 3.79Å; W144-Q148 HydrophobicContact CD2-CG 3.88Å; W144-Q148 HydrophobicContact CE3-CG 3.79Å; W144-Q148 HydrophobicContact CH2-CG 3.54Å; W144-Q148 HydrophobicContact CZ2-CG 3.62Å; W144-Q148 HydrophobicContact CZ3-CB 4.35Å; W144-Q148 HydrophobicContact CZ3-CG 3.63Å; W144-Q148 WeakPolarHBondContact O-CG 3.44Å; W144-Q148 PolarHBondContact O-N 3.1Å; F145-Q148 PolarHBondContact O-N 3.35Å |
| 149 | T | 95.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 56.9 Ų | 56.9 | 28% | 0.282 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 5.6 | 177 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | W34 F145 L146 K147 R151 | W34-T149 HydrophobicContact CH2-CG2 3.77Å; W34-T149 HydrophobicContact CZ3-CG2 4.07Å; F145-T149 WeakPolarHBondContact O-CB 3.04Å; F145-T149 WeakPolarHBondContact O-CG2 3.38Å; F145-T149 PolarHBondContact O-N 3.44Å; F145-T149 PolarHBondContact O-OG1 2.93Å; L146-T149 PolarHBondContact O-N 2.98Å; L146-T149 PolarHBondContact O-OG1 3.11Å; K147-T149 PolarHBondContact O-N 3.43Å; T149-R151 PolarHBondContact O-N 3.3Å; T149-R151 PolarHBondContact OG1-NE 3.46Å; T149-R151 VanDerWaalsContact OG1-NE 3.08Å; T149-R151 PolarHBondContact OG1-NH2 3.17Å |
| 150 | G | 95.9 | Very high | 95.8 | Very high | 69 Ų | 69 | 56.2 Ų | 56.2 | 71% | 0.711 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 13.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | L146 K147 | L146-G150 PolarHBondContact O-N 2.9Å; K147-G150 PolarHBondContact O-N 2.84Å; K147-G150 VanDerWaalsContact O-N 3.13Å |
| 151 | R | 94.8 | Very high | 95.8 | Very high | 137 Ų | 137 | 54.2 Ų | 54.2 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | trans | -101.3 | 5.8 | -176.5 | -66.3 | -176.6 | -65.9 | -176.5 | 2.7 | 113.7 | L146 T149 E153 T154 | L146-R151 HydrophobicContact CD2-CB 3.81Å; L146-R151 PolarHBondContact O-N 3.06Å; T149-R151 PolarHBondContact O-N 3.3Å; T149-R151 PolarHBondContact OG1-NE 3.46Å; T149-R151 VanDerWaalsContact OG1-NE 3.08Å; T149-R151 PolarHBondContact OG1-NH2 3.17Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3.49Å; R151-T154 HydrophobicContact CB-CG2 4.41Å; R151-T154 WeakPolarHBondContact O-CB 3.47Å; R151-T154 WeakPolarHBondContact O-CG2 3.38Å; R151-T154 PolarHBondContact O-N 2.95Å; R151-T154 PolarHBondContact O-OG1 3.22Å | ||
| 152 | Y | 94.4 | Very high | 95.7 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -31.4 | -178.3 | 179 | -116.2 | 0 | 0 | 0 | 113.7 | R143 L146 K147 T154 G157 D161 R218 | R143-Y152 HydrophobicContact CG-CD2 4.29Å; R143-Y152 HydrophobicContact CG-CE2 3.92Å; R143-Y152 PolarHBondContact NH2-OH 3.37Å; L146-Y152 PolarHBondContact O-N 2.74Å; L146-Y152 VanDerWaalsContact O-N 3.14Å; K147-Y152 HydrophobicContact CG-CD1 3.97Å; K147-Y152 HydrophobicContact CG-CD2 3.95Å; K147-Y152 HydrophobicContact CG-CG 3.58Å; Y152-T154 PolarHBondContact O-N 3.14Å; Y152-G157 WeakPolarHBondContact O-CA 3.48Å; Y152-D161 VanDerWaalsContact CE2-OD2 3.32Å; Y152-D161 WeakPolarHBondContact CE2-OD2 3.4Å; Y152-D161 VanDerWaalsContact CZ-OD2 3.28Å; Y152-D161 PolarHBondContact OH-OD2 2.99Å; Y152-R218 VanDerWaalsContact CE1-NH1 3.31Å; Y152-R218 PolarHBondContact OH-NH1 3.36Å |
| 153 | E | 92.3 | Very high | 95.7 | Very high | 112 Ų | 112 | 59.5 Ų | 59.5 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 19.7 | 179.9 | -58.7 | -60.1 | 162.8 | 0 | 0 | 113.1 | R151 R218 R221 | R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3.49Å; E153-R218 IonicContact OE1-NH1 3.8Å; E153-R218 IonicContact OE2-NH1 2.67Å; E153-R218 IonicContact OE2-NH2 3.21Å; E153-R221 IonicContact OE1-CZ 2.67Å; E153-R221 IonicContact OE1-NH1 3.78Å; E153-R221 PolarHBondContact OE1-NH1 2.87Å; E153-R221 IonicContact OE1-NH2 3.62Å; E153-R221 IonicContact OE2-CZ 3.22Å; E153-R221 VanDerWaalsContact OE2-CZ 3.31Å; E153-R221 IonicContact OE2-NH1 3.31Å; E153-R221 PolarHBondContact OE2-NH1 2.87Å; E153-R221 IonicContact OE2-NH2 3.54Å; E153-R221 PolarHBondContact OE2-NH2 3.43Å |
| 154 | T | 93.8 | Very high | 95.8 | Very high | 50 Ų | 50 | 58 Ų | 58 | 31% | 0.307 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -97.7 | 165.4 | 175.2 | 69.3 | 0 | 0 | 0 | 0 | 110.7 | R151 Y152 L156 G157 D158 | R151-T154 HydrophobicContact CB-CG2 4.41Å; R151-T154 WeakPolarHBondContact O-CB 3.47Å; R151-T154 WeakPolarHBondContact O-CG2 3.38Å; R151-T154 PolarHBondContact O-N 2.95Å; R151-T154 PolarHBondContact O-OG1 3.22Å; Y152-T154 PolarHBondContact O-N 3.14Å; T154-L156 PolarHBondContact O-N 3Å; T154-L156 PolarHBondContact OG1-N 3.25Å; T154-G157 PolarHBondContact O-N 3.46Å; T154-D158 PolarHBondContact O-N 2.94Å |
| 155 | P | 93.6 | Very high | 95.8 | Very high | 109 Ų | 109 | 58 Ų | 58 | 71% | 0.708 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -55.2 | -26.6 | 174.3 | -26.8 | 35.6 | 0 | 0 | 0 | 113.7 | D158 A159 | P155-D158 PolarHBondContact O-N 3.26Å; P155-A159 WeakPolarHBondContact O-CB 3.32Å; P155-A159 PolarHBondContact O-N 2.91Å |
| 156 | L | 94.8 | Very high | 95.8 | Very high | 95 Ų | 95 | 61.7 Ų | 61.7 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 174.2 | 179 | 61 | 0 | 0 | 0 | 111.8 | L146 T154 A159 V160 | L146-L156 HydrophobicContact CD1-CD2 4.39Å; L146-L156 HydrophobicContact CD1-CG 4.04Å; L146-L156 HydrophobicContact CD2-CD2 3.76Å; L146-L156 HydrophobicContact CD2-CG 4.28Å; T154-L156 PolarHBondContact O-N 3Å; T154-L156 PolarHBondContact OG1-N 3.25Å; L156-A159 PolarHBondContact O-N 3.49Å; L156-V160 HydrophobicContact CD1-CG2 4.44Å; L156-V160 VanDerWaalsContact O-CG2 3.29Å; L156-V160 WeakPolarHBondContact O-CG2 3.41Å; L156-V160 PolarHBondContact O-N 3.49Å |
| 157 | G | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y152 T154 V160 D161 | Y152-G157 WeakPolarHBondContact O-CA 3.48Å; T154-G157 PolarHBondContact O-N 3.46Å; G157-V160 PolarHBondContact O-N 2.92Å; G157-D161 PolarHBondContact O-N 3.26Å |
| 158 | D | 93.7 | Very high | 95.8 | Very high | 49 Ų | 49 | 59.1 Ų | 59.1 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 173.6 | -70 | -32.5 | 0 | 0 | 0 | 111.7 | T154 P155 V160 D161 V162 R218 W222 | T154-D158 PolarHBondContact O-N 2.94Å; P155-D158 PolarHBondContact O-N 3.26Å; D158-V160 VanDerWaalsContact C-N 3.35Å; D158-V160 PolarHBondContact O-N 3.2Å; D158-D161 PolarHBondContact O-N 2.89Å; D158-V162 WeakPolarHBondContact O-CG2 3.48Å; D158-V162 PolarHBondContact O-N 2.82Å; D158-R218 IonicContact OD1-CZ 3.91Å; D158-R218 IonicContact OD1-NE 3.95Å; D158-R218 IonicContact OD1-NH2 3.48Å; D158-R218 PolarHBondContact OD1-NH2 3.35Å; D158-W222 HydrophobicContact CB-CZ2 4.48Å; D158-W222 WeakPolarHBondContact OD1-CZ2 3Å |
| 159 | A | 96.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 45% | 0.446 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P155 L156 V162 L163 | P155-A159 WeakPolarHBondContact O-CB 3.32Å; P155-A159 PolarHBondContact O-N 2.91Å; L156-A159 PolarHBondContact O-N 3.49Å; A159-V162 PolarHBondContact O-N 2.73Å; A159-L163 VanDerWaalsContact O-CB 3.26Å; A159-L163 WeakPolarHBondContact O-CB 3.32Å; A159-L163 PolarHBondContact O-N 3.33Å |
| 160 | V | 97.4 | Very high | 96 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.8 | 169 | 0 | 0 | 0 | 0 | 111.4 | L139 T142 R143 L146 L156 G157 D158 L163 F164 | L139-V160 HydrophobicContact CB-CG1 4.45Å; L139-V160 WeakPolarHBondContact O-CG1 3.44Å; T142-V160 HydrophobicContact CG2-CG2 3.89Å; R143-V160 HydrophobicContact CB-CG1 3.84Å; L146-V160 HydrophobicContact CD1-CB 4.45Å; L146-V160 HydrophobicContact CD1-CG2 3.99Å; L156-V160 HydrophobicContact CD1-CG2 4.44Å; L156-V160 VanDerWaalsContact O-CG2 3.29Å; L156-V160 WeakPolarHBondContact O-CG2 3.41Å; L156-V160 PolarHBondContact O-N 3.49Å; G157-V160 PolarHBondContact O-N 2.92Å; D158-V160 VanDerWaalsContact C-N 3.35Å; D158-V160 PolarHBondContact O-N 3.2Å; V160-L163 PolarHBondContact O-N 3.19Å; V160-F164 VanDerWaalsContact O-CB 3.24Å; V160-F164 WeakPolarHBondContact O-CB 3.43Å; V160-F164 PolarHBondContact O-N 2.96Å |
| 161 | D | 95.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 178.1 | -77.9 | -25.8 | 0 | 0 | 0 | 111.2 | R143 Y152 G157 D158 F164 V165 F214 | R143-D161 WeakPolarHBondContact CD-OD1 3.27Å; R143-D161 IonicContact CZ-OD1 2.88Å; R143-D161 IonicContact NE-OD1 3.19Å; R143-D161 PolarHBondContact NE-OD1 3.25Å; Y152-D161 VanDerWaalsContact CE2-OD2 3.32Å; Y152-D161 WeakPolarHBondContact CE2-OD2 3.4Å; Y152-D161 VanDerWaalsContact CZ-OD2 3.28Å; Y152-D161 PolarHBondContact OH-OD2 2.99Å; G157-D161 PolarHBondContact O-N 3.26Å; D158-D161 PolarHBondContact O-N 2.89Å; D161-F164 PolarHBondContact O-N 3.46Å; D161-V165 VanDerWaalsContact O-CG2 3.32Å; D161-V165 WeakPolarHBondContact O-CG2 3.4Å; D161-V165 PolarHBondContact O-N 3.49Å; D161-F214 HydrophobicContact CB-CE1 4.2Å; D161-F214 HydrophobicContact CB-CZ 4.09Å; D161-F214 WeakPolarHBondContact OD2-CZ 3.29Å |
| 162 | V | 96.2 | Very high | 96.2 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | D158 A159 F164 V165 L166 | D158-V162 WeakPolarHBondContact O-CG2 3.48Å; D158-V162 PolarHBondContact O-N 2.82Å; A159-V162 PolarHBondContact O-N 2.73Å; V162-F164 VanDerWaalsContact C-N 3.32Å; V162-F164 PolarHBondContact O-N 3.29Å; V162-V165 PolarHBondContact O-N 3.41Å; V162-L166 HydrophobicContact CG1-CD1 3.84Å; V162-L166 HydrophobicContact CG1-CG 4.34Å; V162-L166 WeakPolarHBondContact O-CG 3.44Å; V162-L166 PolarHBondContact O-N 3.45Å |
| 163 | L | 97.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 50 Ų | 50 | 48% | 0.482 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | -179.5 | -176 | 58.3 | 0 | 0 | 0 | 111.4 | L139 A159 V160 L167 | L139-L163 HydrophobicContact CD1-CB 4.19Å; L139-L163 HydrophobicContact CD1-CD2 4.06Å; L139-L163 HydrophobicContact CD1-CG 3.64Å; L139-L163 HydrophobicContact CD2-CB 4.46Å; L139-L163 HydrophobicContact CD2-CD2 3.64Å; L139-L163 HydrophobicContact CD2-CG 4.09Å; L139-L163 HydrophobicContact CG-CD2 4.5Å; A159-L163 VanDerWaalsContact O-CB 3.26Å; A159-L163 WeakPolarHBondContact O-CB 3.32Å; A159-L163 PolarHBondContact O-N 3.33Å; V160-L163 PolarHBondContact O-N 3.19Å; L163-L167 WeakPolarHBondContact O-CB 3.45Å; L163-L167 PolarHBondContact O-N 3.45Å |
| 164 | F | 97.5 | Very high | 96.7 | Very high | 29 Ų | 29 | 51 Ų | 51 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 175.2 | 172.2 | -98.1 | 0 | 0 | 0 | 111.3 | L139 L140 V160 D161 V162 L167 F168 I211 | L139-F164 HydrophobicContact CB-CB 4.08Å; L139-F164 HydrophobicContact CB-CD2 4.24Å; L139-F164 HydrophobicContact CD1-CB 4.31Å; L140-F164 HydrophobicContact CB-CD2 4.43Å; L140-F164 HydrophobicContact CB-CE2 4.14Å; L140-F164 HydrophobicContact CD1-CE2 4.17Å; L140-F164 HydrophobicContact CD1-CZ 4.33Å; V160-F164 VanDerWaalsContact O-CB 3.24Å; V160-F164 WeakPolarHBondContact O-CB 3.43Å; V160-F164 PolarHBondContact O-N 2.96Å; D161-F164 PolarHBondContact O-N 3.46Å; V162-F164 VanDerWaalsContact C-N 3.32Å; V162-F164 PolarHBondContact O-N 3.29Å; F164-L167 PolarHBondContact O-N 3.29Å; F164-F168 HydrophobicContact CZ-CD2 4.08Å; F164-F168 WeakPolarHBondContact O-CB 3.31Å; F164-F168 PolarHBondContact O-N 3.46Å; F164-I211 HydrophobicContact CE1-CD1 3.82Å; F164-I211 HydrophobicContact CE1-CG1 4.07Å; F164-I211 HydrophobicContact CZ-CD1 4.24Å |
| 165 | V | 97.7 | Very high | 96.9 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 179.9 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | D161 V162 F168 V169 I211 V215 | D161-V165 VanDerWaalsContact O-CG2 3.32Å; D161-V165 WeakPolarHBondContact O-CG2 3.4Å; D161-V165 PolarHBondContact O-N 3.49Å; V162-V165 PolarHBondContact O-N 3.41Å; V165-F168 PolarHBondContact O-N 2.94Å; V165-V169 HydrophobicContact CG1-CG2 4.44Å; V165-V169 VanDerWaalsContact O-CG2 3.26Å; V165-V169 WeakPolarHBondContact O-CG2 3.29Å; V165-V169 PolarHBondContact O-N 3.34Å; V165-I211 HydrophobicContact CG1-CG2 4.19Å; V165-I211 HydrophobicContact CG2-CG2 3.81Å; V165-V215 HydrophobicContact CG1-CG2 4.45Å; V165-V215 HydrophobicContact CG2-CG2 4.03Å |
| 166 | L | 97.6 | Very high | 97 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 179.7 | -70.6 | 175 | 0 | 0 | 0 | 111.3 | V162 F168 V169 V170 | V162-L166 HydrophobicContact CG1-CD1 3.84Å; V162-L166 HydrophobicContact CG1-CG 4.34Å; V162-L166 WeakPolarHBondContact O-CG 3.44Å; V162-L166 PolarHBondContact O-N 3.45Å; L166-F168 VanDerWaalsContact C-N 3.33Å; L166-F168 PolarHBondContact O-N 3.03Å; L166-V169 PolarHBondContact O-N 3.37Å; L166-V170 WeakPolarHBondContact O-CB 3.44Å; L166-V170 WeakPolarHBondContact O-CG2 3.44Å; L166-V170 PolarHBondContact O-N 3Å |
| 167 | L | 97.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 43 Ų | 43 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | -179.2 | -171.4 | 62.7 | 0 | 0 | 0 | 111.5 | I135 T136 L139 L163 F164 M171 | I135-L167 HydrophobicContact CD1-CD1 4.39Å; I135-L167 HydrophobicContact CG1-CD2 4.3Å; I135-L167 HydrophobicContact CG2-CD2 4.47Å; I135-L167 HydrophobicContact CG2-CG 4.4Å; I135-L167 VanDerWaalsContact O-CD2 3.29Å; I135-L167 WeakPolarHBondContact O-CD2 3.49Å; T136-L167 HydrophobicContact CG2-CB 4.41Å; T136-L167 HydrophobicContact CG2-CD2 4.33Å; T136-L167 HydrophobicContact CG2-CG 4.03Å; L139-L167 HydrophobicContact CD1-CB 4.43Å; L139-L167 HydrophobicContact CD1-CD2 3.75Å; L163-L167 WeakPolarHBondContact O-CB 3.45Å; L163-L167 PolarHBondContact O-N 3.45Å; F164-L167 PolarHBondContact O-N 3.29Å; L167-M171 HydrophobicContact CD1-CG 3.66Å; L167-M171 HydrophobicContact CG-CG 4.23Å; L167-M171 VanDerWaalsContact O-CB 3.24Å; L167-M171 WeakPolarHBondContact O-CB 3.15Å; L167-M171 WeakPolarHBondContact O-CG 3.09Å; L167-M171 PolarHBondContact O-N 2.85Å |
| 168 | F | 98 | Very high | 97.3 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 175.5 | -173.1 | -74.7 | 0 | 0 | 0 | 111.5 | T136 F164 V165 L166 R172 I173 F207 M208 I211 | T136-F168 HydrophobicContact CG2-CB 4.17Å; T136-F168 HydrophobicContact CG2-CD2 4.47Å; F164-F168 HydrophobicContact CZ-CD2 4.08Å; F164-F168 WeakPolarHBondContact O-CB 3.31Å; F164-F168 PolarHBondContact O-N 3.46Å; V165-F168 PolarHBondContact O-N 2.94Å; L166-F168 VanDerWaalsContact C-N 3.33Å; L166-F168 PolarHBondContact O-N 3.03Å; F168-R172 HydrophobicContact CD1-CB 4.41Å; F168-R172 HydrophobicContact CE1-CB 4.22Å; F168-R172 VanDerWaalsContact CE2-CD 3.43Å; F168-R172 HydrophobicContact CE2-CG 4.49Å; F168-R172 HydrophobicContact CZ-CB 4.35Å; F168-R172 WeakPolarHBondContact O-CA 3.38Å; F168-R172 VanDerWaalsContact O-CB 3.31Å; F168-R172 WeakPolarHBondContact O-CB 3.37Å; F168-R172 PolarHBondContact O-N 2.95Å; F168-I173 HydrophobicContact CE1-CD1 4.33Å; F168-F207 HydrophobicContact CE1-CB 4.45Å; F168-F207 HydrophobicContact CE2-CB 3.87Å; F168-F207 HydrophobicContact CE2-CG 4.46Å; F168-F207 HydrophobicContact CZ-CB 3.45Å; F168-F207 VanDerWaalsContact CZ-CB 3.45Å; F168-F207 HydrophobicContact CZ-CG 4.38Å; F168-M208 HydrophobicContact CD1-CE 3.73Å; F168-M208 HydrophobicContact CE1-CB 4.44Å; F168-M208 HydrophobicContact CE1-CE 3.86Å; F168-I211 HydrophobicContact CB-CD1 4.21Å; F168-I211 HydrophobicContact CD1-CD1 3.54Å; F168-I211 HydrophobicContact CD2-CD1 3.56Å; F168-I211 HydrophobicContact CE1-CD1 3.75Å; F168-I211 HydrophobicContact CE2-CD1 3.72Å; F168-I211 HydrophobicContact CG-CD1 3.48Å; F168-I211 VanDerWaalsContact CG-CD1 3.48Å; F168-I211 HydrophobicContact CZ-CD1 3.85Å |
| 169 | V | 98.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 26% | 0.261 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -59.9 | -50.8 | 179 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | V165 L166 I173 F174 M208 | V165-V169 HydrophobicContact CG1-CG2 4.44Å; V165-V169 VanDerWaalsContact O-CG2 3.26Å; V165-V169 WeakPolarHBondContact O-CG2 3.29Å; V165-V169 PolarHBondContact O-N 3.34Å; L166-V169 PolarHBondContact O-N 3.37Å; V169-I173 VanDerWaalsContact O-CB 3.29Å; V169-I173 WeakPolarHBondContact O-CB 3.12Å; V169-I173 PolarHBondContact O-N 3.08Å; V169-I173 VanDerWaalsContact O-N 3.17Å; V169-F174 HydrophobicContact CG1-CD2 3.86Å; V169-F174 HydrophobicContact CG1-CE2 3.49Å; V169-F174 VanDerWaalsContact CG1-CE2 3.49Å; V169-F174 WeakPolarHBondContact O-CD2 3.25Å; V169-F174 PolarHBondContact O-N 2.82Å; V169-M208 HydrophobicContact CB-CE 4.35Å; V169-M208 HydrophobicContact CG2-CE 3.48Å; V169-M208 VanDerWaalsContact CG2-CE 3.48Å; V169-M208 HydrophobicContact CG2-SD 4.41Å |
| 170 | V | 98.2 | Very high | 97.5 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -61.7 | -54.3 | -178.5 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L166 F174 V175 | L166-V170 WeakPolarHBondContact O-CB 3.44Å; L166-V170 WeakPolarHBondContact O-CG2 3.44Å; L166-V170 PolarHBondContact O-N 3Å; V170-F174 PolarHBondContact O-N 3.42Å; V170-V175 HydrophobicContact CG1-CG2 4.43Å; V170-V175 WeakPolarHBondContact O-CG2 3.22Å; V170-V175 PolarHBondContact O-N 3.24Å |
| 171 | M | 97.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -78 | -44 | -170.4 | -66.5 | -58.9 | -55.2 | 0 | 0 | 113 | F131 I135 L167 V175 G176 | F131-M171 HydrophobicContact CD1-CE 3.99Å; F131-M171 HydrophobicContact CE1-CE 3.64Å; I135-M171 HydrophobicContact CD1-CE 4.48Å; I135-M171 HydrophobicContact CG2-CB 3.96Å; I135-M171 HydrophobicContact CG2-CE 4.34Å; I135-M171 HydrophobicContact CG2-CG 3.73Å; L167-M171 HydrophobicContact CD1-CG 3.66Å; L167-M171 HydrophobicContact CG-CG 4.23Å; L167-M171 VanDerWaalsContact O-CB 3.24Å; L167-M171 WeakPolarHBondContact O-CB 3.15Å; L167-M171 WeakPolarHBondContact O-CG 3.09Å; L167-M171 PolarHBondContact O-N 2.85Å; M171-V175 HydrophobicContact CE-CG1 4.21Å; M171-V175 WeakPolarHBondContact O-CB 3.5Å; M171-V175 HydrophobicContact SD-CG2 4.2Å; M171-G176 PolarHBondContact O-N 3.25Å |
| 172 | R | 97.1 | Very high | 97.6 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 10% | 0.102 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -89.5 | -32 | -173.1 | -64.2 | -164.5 | 177.5 | -153.9 | 1.7 | 113.5 | S133 F168 Y201 | S133-R172 VanDerWaalsContact CA-NH2 3.33Å; S133-R172 PolarHBondContact O-NH2 3.41Å; F168-R172 HydrophobicContact CD1-CB 4.41Å; F168-R172 HydrophobicContact CE1-CB 4.22Å; F168-R172 VanDerWaalsContact CE2-CD 3.43Å; F168-R172 HydrophobicContact CE2-CG 4.49Å; F168-R172 HydrophobicContact CZ-CB 4.35Å; F168-R172 WeakPolarHBondContact O-CA 3.38Å; F168-R172 VanDerWaalsContact O-CB 3.31Å; F168-R172 WeakPolarHBondContact O-CB 3.37Å; F168-R172 PolarHBondContact O-N 2.95Å; R172-Y201 WeakPolarHBondContact O-CE2 3.45Å |
| 173 | I | 97.7 | Very high | 97.6 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -92.3 | -54.7 | -178.6 | -52.7 | -54.7 | 0 | 0 | 0 | 111.5 | F168 V169 G177 Y201 W205 M208 | F168-I173 HydrophobicContact CE1-CD1 4.33Å; V169-I173 VanDerWaalsContact O-CB 3.29Å; V169-I173 WeakPolarHBondContact O-CB 3.12Å; V169-I173 PolarHBondContact O-N 3.08Å; V169-I173 VanDerWaalsContact O-N 3.17Å; I173-G177 WeakPolarHBondContact O-CA 3.47Å; I173-G177 PolarHBondContact O-N 2.76Å; I173-Y201 WeakPolarHBondContact O-CE2 3.15Å; I173-Y201 PolarHBondContact O-OH 2.93Å; I173-W205 HydrophobicContact CD1-CD2 4.28Å; I173-W205 HydrophobicContact CG2-CH2 3.96Å; I173-W205 HydrophobicContact CG2-CZ2 3.62Å; I173-M208 HydrophobicContact CD1-CB 4.5Å; I173-M208 HydrophobicContact CD1-CE 4.02Å; I173-M208 HydrophobicContact CG1-CE 3.44Å; I173-M208 VanDerWaalsContact CG1-CE 3.44Å |
| 174 | F | 98.2 | Very high | 97.6 | Very high | 135 Ų | 135 | 46.3 Ų | 46.3 | 59% | 0.592 | 24% | 0.244 | S | C | * | . | I | π-helix | trans | -80.5 | -57.4 | -175.2 | -67.9 | -66.5 | 0 | 0 | 0 | 112.5 | V169 V170 G177 T178 | V169-F174 HydrophobicContact CG1-CD2 3.86Å; V169-F174 HydrophobicContact CG1-CE2 3.49Å; V169-F174 VanDerWaalsContact CG1-CE2 3.49Å; V169-F174 WeakPolarHBondContact O-CD2 3.25Å; V169-F174 PolarHBondContact O-N 2.82Å; V170-F174 PolarHBondContact O-N 3.42Å; F174-G177 PolarHBondContact O-N 2.91Å; F174-T178 WeakPolarHBondContact O-CB 3.44Å; F174-T178 PolarHBondContact O-N 3.32Å; F174-T178 PolarHBondContact O-OG1 3.34Å |
| 175 | V | 97.8 | Very high | 97.6 | Very high | 51 Ų | 51 | 49.9 Ų | 49.9 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -65.2 | -47.9 | 179.6 | 176.1 | 0 | 0 | 0 | 0 | 110 | F63 V170 M171 G177 T178 M179 | F63-V175 HydrophobicContact CZ-CG1 3.86Å; V170-V175 HydrophobicContact CG1-CG2 4.43Å; V170-V175 WeakPolarHBondContact O-CG2 3.22Å; V170-V175 PolarHBondContact O-N 3.24Å; M171-V175 HydrophobicContact CE-CG1 4.21Å; M171-V175 WeakPolarHBondContact O-CB 3.5Å; M171-V175 HydrophobicContact SD-CG2 4.2Å; V175-G177 PolarHBondContact O-N 3.07Å; V175-T178 PolarHBondContact O-N 2.85Å; V175-M179 WeakPolarHBondContact O-CB 3.46Å; V175-M179 PolarHBondContact O-N 2.78Å |
| 176 | G | 97.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M171 M179 L180 | M171-G176 PolarHBondContact O-N 3.25Å; G176-M179 PolarHBondContact O-N 2.91Å; G176-L180 WeakPolarHBondContact O-CB 3.45Å; G176-L180 PolarHBondContact O-N 3.38Å |
| 177 | G | 97.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | I173 F174 V175 L180 Y181 Y201 | I173-G177 WeakPolarHBondContact O-CA 3.47Å; I173-G177 PolarHBondContact O-N 2.76Å; F174-G177 PolarHBondContact O-N 2.91Å; V175-G177 PolarHBondContact O-N 3.07Å; G177-L180 PolarHBondContact O-N 2.9Å; G177-Y181 WeakPolarHBondContact O-CB 3.29Å; G177-Y181 PolarHBondContact O-N 3.43Å; G177-Y201 VanDerWaalsContact CA-CE2 3.44Å |
| 178 | T | 97.9 | Very high | 97.2 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 175.6 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | F63 F174 V175 Y181 C182 | F63-T178 HydrophobicContact CD1-CG2 4.04Å; F63-T178 HydrophobicContact CE1-CG2 3.94Å; F174-T178 WeakPolarHBondContact O-CB 3.44Å; F174-T178 PolarHBondContact O-N 3.32Å; F174-T178 PolarHBondContact O-OG1 3.34Å; V175-T178 PolarHBondContact O-N 2.85Å; T178-Y181 WeakPolarHBondContact O-CB 3.22Å; T178-Y181 PolarHBondContact O-N 3.38Å; T178-C182 PolarHBondContact O-N 3.25Å; T178-C182 PolarHBondContact O-SG 2.94Å |
| 179 | M | 96.5 | Very high | 97 | Very high | 17 Ų | 17 | 54 Ų | 54 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 177.3 | -171.2 | -160.2 | 77.5 | 0 | 0 | 111.3 | F63 A128 V129 V175 G176 Y181 C182 E183 | F63-M179 HydrophobicContact CD1-CB 4.36Å; F63-M179 HydrophobicContact CE1-CB 3.76Å; F63-M179 HydrophobicContact CE1-CG 4.45Å; F63-M179 HydrophobicContact CZ-CB 4.14Å; A128-M179 HydrophobicContact CB-SD 3.55Å; A128-M179 VanDerWaalsContact CB-SD 3.55Å; V129-M179 HydrophobicContact CG2-CE 3.34Å; V129-M179 HydrophobicContact CG2-SD 4.32Å; V175-M179 WeakPolarHBondContact O-CB 3.46Å; V175-M179 PolarHBondContact O-N 2.78Å; G176-M179 PolarHBondContact O-N 2.91Å; M179-Y181 VanDerWaalsContact C-N 3.29Å; M179-Y181 PolarHBondContact O-N 3.3Å; M179-C182 WeakPolarHBondContact O-CB 3.27Å; M179-C182 PolarHBondContact O-N 3.28Å; M179-E183 PolarHBondContact O-N 3.42Å |
| 180 | L | 97.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 174.1 | 177.3 | 62.5 | 0 | 0 | 0 | 111.3 | G176 G177 C182 E183 L184 V198 Y201 | G176-L180 WeakPolarHBondContact O-CB 3.45Å; G176-L180 PolarHBondContact O-N 3.38Å; G177-L180 PolarHBondContact O-N 2.9Å; L180-C182 PolarHBondContact O-N 2.7Å; L180-E183 PolarHBondContact O-N 3.33Å; L180-L184 HydrophobicContact CD1-CD1 4.06Å; L180-L184 HydrophobicContact CD1-CD2 4.32Å; L180-L184 HydrophobicContact CD1-CG 3.89Å; L180-L184 HydrophobicContact CD2-CD1 4.42Å; L180-L184 HydrophobicContact CG-CD1 3.87Å; L180-L184 HydrophobicContact CG-CG 4.15Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 VanDerWaalsContact O-CG 3.23Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 2.89Å; L180-V198 HydrophobicContact CD1-CG2 4.13Å; L180-V198 HydrophobicContact CD2-CG2 4.36Å; L180-Y201 HydrophobicContact CD2-CD1 3.69Å; L180-Y201 HydrophobicContact CD2-CG 3.73Å |
| 181 | Y | 98 | Very high | 96.7 | Very high | 148 Ų | 148 | 59.8 Ų | 59.8 | 58% | 0.58 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.4 | -48.6 | 175.2 | 172.3 | -100.1 | 0 | 0 | 0 | 111.5 | G177 T178 M179 E183 L184 I185 | G177-Y181 WeakPolarHBondContact O-CB 3.29Å; G177-Y181 PolarHBondContact O-N 3.43Å; T178-Y181 WeakPolarHBondContact O-CB 3.22Å; T178-Y181 PolarHBondContact O-N 3.38Å; M179-Y181 VanDerWaalsContact C-N 3.29Å; M179-Y181 PolarHBondContact O-N 3.3Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-E183 PolarHBondContact O-N 2.73Å; Y181-L184 PolarHBondContact O-N 3.46Å; Y181-I185 HydrophobicContact CD1-CD1 4.32Å; Y181-I185 HydrophobicContact CD2-CG2 4.17Å; Y181-I185 HydrophobicContact CE1-CD1 3.76Å; Y181-I185 HydrophobicContact CE1-CG2 4.4Å; Y181-I185 HydrophobicContact CE2-CG2 3.72Å; Y181-I185 WeakPolarHBondContact O-CG1 3.37Å; Y181-I185 WeakPolarHBondContact O-CG2 3.48Å; Y181-I185 PolarHBondContact O-N 3.37Å; Y181-I185 VanDerWaalsContact O-N 3.08Å |
| 182 | C | 97.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58 | -42.7 | 176.1 | -69.7 | 0 | 0 | 0 | 0 | 112.6 | F63 T178 M179 L180 I185 S186 | F63-C182 WeakPolarHBondContact O-CB 3.41Å; F63-C182 PolarHBondContact O-SG 2.79Å; T178-C182 PolarHBondContact O-N 3.25Å; T178-C182 PolarHBondContact O-SG 2.94Å; M179-C182 WeakPolarHBondContact O-CB 3.27Å; M179-C182 PolarHBondContact O-N 3.28Å; L180-C182 PolarHBondContact O-N 2.7Å; C182-I185 WeakPolarHBondContact O-CG1 3.43Å; C182-S186 WeakPolarHBondContact O-CB 3.09Å; C182-S186 PolarHBondContact O-N 3.48Å |
| 183 | E | 96.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 176.8 | -172.3 | -169.8 | 151 | 0 | 0 | 111.7 | E125 M179 L180 Y181 S186 P189 I193 K194 | E125-E183 HydrophobicContact CG-CG 4.5Å; M179-E183 PolarHBondContact O-N 3.42Å; L180-E183 PolarHBondContact O-N 3.33Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-E183 PolarHBondContact O-N 2.73Å; E183-S186 PolarHBondContact O-N 3.36Å; E183-P189 HydrophobicContact CG-CB 4.28Å; E183-P189 HydrophobicContact CG-CG 4.05Å; E183-I193 WeakPolarHBondContact OE1-CG2 3.12Å; E183-K194 VanDerWaalsContact O-CE 3.27Å; E183-K194 WeakPolarHBondContact O-CE 3.46Å; E183-K194 WeakPolarHBondContact OE1-CA 3.41Å; E183-K194 PolarHBondContact OE1-N 3.42Å |
| 184 | L | 97.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 63.8 Ų | 63.8 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | -177.2 | -72.6 | 177.3 | 0 | 0 | 0 | 112.8 | L180 Y181 S186 K194 V198 | L180-L184 HydrophobicContact CD1-CD1 4.06Å; L180-L184 HydrophobicContact CD1-CD2 4.32Å; L180-L184 HydrophobicContact CD1-CG 3.89Å; L180-L184 HydrophobicContact CD2-CD1 4.42Å; L180-L184 HydrophobicContact CG-CD1 3.87Å; L180-L184 HydrophobicContact CG-CG 4.15Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 VanDerWaalsContact O-CG 3.23Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 2.89Å; Y181-L184 PolarHBondContact O-N 3.46Å; L184-S186 VanDerWaalsContact C-N 3.34Å; L184-K194 HydrophobicContact CD2-CB 3.95Å; L184-K194 HydrophobicContact CD2-CD 4.23Å; L184-K194 HydrophobicContact CD2-CG 4.27Å; L184-K194 PolarHBondContact O-NZ 3.36Å; L184-V198 HydrophobicContact CD1-CG2 4.44Å; L184-V198 HydrophobicContact CD2-CG2 4.12Å |
| 185 | I | 97.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 60.1 Ų | 60.1 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76 | -22.7 | 178.8 | 67.7 | 175.5 | 0 | 0 | 0 | 112.8 | Y181 C182 | Y181-I185 HydrophobicContact CD1-CD1 4.32Å; Y181-I185 HydrophobicContact CD2-CG2 4.17Å; Y181-I185 HydrophobicContact CE1-CD1 3.76Å; Y181-I185 HydrophobicContact CE1-CG2 4.4Å; Y181-I185 HydrophobicContact CE2-CG2 3.72Å; Y181-I185 WeakPolarHBondContact O-CG1 3.37Å; Y181-I185 WeakPolarHBondContact O-CG2 3.48Å; Y181-I185 PolarHBondContact O-N 3.37Å; Y181-I185 VanDerWaalsContact O-N 3.08Å; C182-I185 WeakPolarHBondContact O-CG1 3.43Å |
| 186 | S | 95.5 | Very high | 96.3 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | trans | -68.8 | 135.9 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | P66 C182 E183 L184 R188 P189 K194 | P66-S186 VanDerWaalsContact CG-CB 3.44Å; C182-S186 WeakPolarHBondContact O-CB 3.09Å; C182-S186 PolarHBondContact O-N 3.48Å; E183-S186 PolarHBondContact O-N 3.36Å; L184-S186 VanDerWaalsContact C-N 3.34Å; S186-R188 PolarHBondContact O-N 2.9Å; S186-R188 PolarHBondContact OG-N 3.48Å; S186-P189 VanDerWaalsContact OG-CD 3.32Å; S186-P189 WeakPolarHBondContact OG-CD 3.47Å; S186-K194 WeakPolarHBondContact O-CE 3.43Å; S186-K194 PolarHBondContact O-NZ 2.78Å | ||
| 187 | P | 95 | Very high | 96.3 | Very high | 126 Ų | 126 | 58.9 Ų | 58.9 | 82% | 0.818 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -77.1 | -9 | 175.7 | 32.3 | -35.8 | 0 | 0 | 0 | 113.1 | ||
| 188 | R | 94.7 | Very high | 96.3 | Very high | 120 Ų | 120 | 61.4 Ų | 61.4 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -82.9 | -50.2 | -171.1 | -53.4 | -178.1 | -169.8 | 163 | 1.1 | 114.1 | E65 P66 S186 L190 | E65-R188 IonicContact OE2-CZ 3.88Å; E65-R188 IonicContact OE2-NH1 3.06Å; E65-R188 PolarHBondContact OE2-NH1 3.17Å; E65-R188 IonicContact OE2-NH2 3.77Å; E65-R188 PolarHBondContact OE2-NH2 2.86Å; P66-R188 WeakPolarHBondContact O-CD 3.46Å; S186-R188 PolarHBondContact O-N 2.9Å; S186-R188 PolarHBondContact OG-N 3.48Å; R188-L190 PolarHBondContact O-N 3.37Å |
| 189 | P | 94.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -61.7 | 133.3 | -176.9 | -21.8 | 32.9 | 0 | 0 | 0 | 111.2 | P66 E125 E183 S186 I193 K194 | P66-P189 HydrophobicContact CB-CG 3.92Å; P66-P189 HydrophobicContact CG-CG 4.48Å; E125-P189 WeakPolarHBondContact OE1-CG 3.24Å; E183-P189 HydrophobicContact CG-CB 4.28Å; E183-P189 HydrophobicContact CG-CG 4.05Å; S186-P189 VanDerWaalsContact OG-CD 3.32Å; S186-P189 WeakPolarHBondContact OG-CD 3.47Å; P189-I193 HydrophobicContact CB-CB 4.45Å; P189-I193 HydrophobicContact CB-CG2 4.19Å; P189-K194 HydrophobicContact CB-CG 4.25Å; P189-K194 WeakPolarHBondContact O-CE 3.48Å |
| 190 | L | 94.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | trans | -57.1 | 150.1 | 173.4 | -77.4 | 168.1 | 0 | 0 | 0 | 111.3 | L119 E121 R188 L192 I193 K194 | L119-L190 HydrophobicContact CD1-CD1 3.97Å; L119-L190 HydrophobicContact CD2-CD1 3.8Å; L119-L190 HydrophobicContact CG-CD1 4.39Å; E121-L190 WeakPolarHBondContact OE1-CD1 3.23Å; E121-L190 WeakPolarHBondContact OE1-CG 3.42Å; R188-L190 PolarHBondContact O-N 3.37Å; L190-L192 PolarHBondContact O-N 3.38Å; L190-L192 VanDerWaalsContact O-N 3.13Å; L190-I193 HydrophobicContact CB-CG1 4.49Å; L190-I193 WeakPolarHBondContact O-CB 3.28Å; L190-I193 PolarHBondContact O-N 3.23Å; L190-K194 PolarHBondContact O-N 2.95Å | ||
| 191 | F | 95 | Very high | 96.3 | Very high | 158 Ų | 158 | 62 Ų | 62 | 69% | 0.693 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -53.1 | -38 | 179.3 | 178.6 | -103.7 | 0 | 0 | 0 | 112.9 | I193 K194 C195 | F191-I193 PolarHBondContact O-N 3.37Å; F191-K194 WeakPolarHBondContact O-CB 3.37Å; F191-K194 PolarHBondContact O-N 3.27Å; F191-C195 VanDerWaalsContact CE1-SG 3.54Å; F191-C195 VanDerWaalsContact CZ-SG 3.59Å; F191-C195 PolarHBondContact O-N 3.38Å; F191-C195 PolarHBondContact O-SG 2.84Å; F191-C195 VanDerWaalsContact O-SG 3.38Å |
| 192 | L | 94 | Very high | 96.3 | Very high | 98 Ų | 98 | 57.6 Ų | 57.6 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 177.4 | -70.6 | 177.2 | 0 | 0 | 0 | 113.1 | M115 L190 C195 G196 | M115-L192 HydrophobicContact CE-CB 4.4Å; M115-L192 HydrophobicContact SD-CB 3.92Å; L190-L192 PolarHBondContact O-N 3.38Å; L190-L192 VanDerWaalsContact O-N 3.13Å; L192-C195 PolarHBondContact O-N 3.47Å; L192-G196 PolarHBondContact O-N 2.99Å |
| 193 | I | 95.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 176 | -67.1 | -65.5 | 0 | 0 | 0 | 109.7 | M115 L119 E183 P189 L190 F191 C195 G196 G197 | M115-I193 HydrophobicContact CG-CD1 4.05Å; M115-I193 HydrophobicContact SD-CD1 4.04Å; L119-I193 HydrophobicContact CD1-CD1 3.85Å; L119-I193 HydrophobicContact CD1-CG1 3.89Å; E183-I193 WeakPolarHBondContact OE1-CG2 3.12Å; P189-I193 HydrophobicContact CB-CB 4.45Å; P189-I193 HydrophobicContact CB-CG2 4.19Å; L190-I193 HydrophobicContact CB-CG1 4.49Å; L190-I193 WeakPolarHBondContact O-CB 3.28Å; L190-I193 PolarHBondContact O-N 3.23Å; F191-I193 PolarHBondContact O-N 3.37Å; I193-C195 VanDerWaalsContact C-N 3.33Å; I193-C195 PolarHBondContact O-N 3.18Å; I193-G196 CarbonylContact O-C 3.58Å; I193-G196 VanDerWaalsContact O-CA 3.31Å; I193-G196 WeakPolarHBondContact O-CA 3.37Å; I193-G196 PolarHBondContact O-N 3.28Å; I193-G197 PolarHBondContact O-N 3.3Å |
| 194 | K | 97.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 175.7 | -65 | -174.6 | 179.3 | -166.1 | 0 | 112.9 | E183 L184 S186 P189 L190 F191 G196 G197 V198 | E183-K194 VanDerWaalsContact O-CE 3.27Å; E183-K194 WeakPolarHBondContact O-CE 3.46Å; E183-K194 WeakPolarHBondContact OE1-CA 3.41Å; E183-K194 PolarHBondContact OE1-N 3.42Å; L184-K194 HydrophobicContact CD2-CB 3.95Å; L184-K194 HydrophobicContact CD2-CD 4.23Å; L184-K194 HydrophobicContact CD2-CG 4.27Å; L184-K194 PolarHBondContact O-NZ 3.36Å; S186-K194 WeakPolarHBondContact O-CE 3.43Å; S186-K194 PolarHBondContact O-NZ 2.78Å; P189-K194 HydrophobicContact CB-CG 4.25Å; P189-K194 WeakPolarHBondContact O-CE 3.48Å; L190-K194 PolarHBondContact O-N 2.95Å; F191-K194 WeakPolarHBondContact O-CB 3.37Å; F191-K194 PolarHBondContact O-N 3.27Å; K194-G196 VanDerWaalsContact C-N 3.29Å; K194-G196 PolarHBondContact O-N 2.88Å; K194-G197 PolarHBondContact O-N 3.4Å; K194-V198 WeakPolarHBondContact O-CG2 3.48Å; K194-V198 PolarHBondContact O-N 2.84Å |
| 195 | C | 97.1 | Very high | 96.3 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 40% | 0.399 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 173.8 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | F191 L192 I193 V198 A199 | F191-C195 VanDerWaalsContact CE1-SG 3.54Å; F191-C195 VanDerWaalsContact CZ-SG 3.59Å; F191-C195 PolarHBondContact O-N 3.38Å; F191-C195 PolarHBondContact O-SG 2.84Å; F191-C195 VanDerWaalsContact O-SG 3.38Å; L192-C195 PolarHBondContact O-N 3.47Å; I193-C195 VanDerWaalsContact C-N 3.33Å; I193-C195 PolarHBondContact O-N 3.18Å; C195-V198 PolarHBondContact O-N 3.43Å; C195-A199 WeakPolarHBondContact O-CB 3.35Å; C195-A199 PolarHBondContact O-N 2.93Å |
| 196 | G | 96.3 | Very high | 96.3 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 32% | 0.32 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L192 I193 K194 V198 A199 M200 | L192-G196 PolarHBondContact O-N 2.99Å; I193-G196 CarbonylContact O-C 3.58Å; I193-G196 VanDerWaalsContact O-CA 3.31Å; I193-G196 WeakPolarHBondContact O-CA 3.37Å; I193-G196 PolarHBondContact O-N 3.28Å; K194-G196 VanDerWaalsContact C-N 3.29Å; K194-G196 PolarHBondContact O-N 2.88Å; G196-V198 PolarHBondContact O-N 2.94Å; G196-A199 PolarHBondContact O-N 3.34Å; G196-M200 WeakPolarHBondContact O-CG 3.45Å; G196-M200 PolarHBondContact O-N 3.26Å |
| 197 | G | 96.7 | Very high | 96.4 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I193 K194 A199 M200 Y201 | I193-G197 PolarHBondContact O-N 3.3Å; K194-G197 PolarHBondContact O-N 3.4Å; G197-A199 PolarHBondContact O-N 3.1Å; G197-M200 PolarHBondContact O-N 3.28Å; G197-Y201 WeakPolarHBondContact O-CB 3.42Å; G197-Y201 PolarHBondContact O-N 3.32Å |
| 198 | V | 98.1 | Very high | 96.5 | Very high | 70 Ų | 70 | 53 Ų | 53 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | L180 L184 K194 C195 G196 Y201 A202 | L180-V198 HydrophobicContact CD1-CG2 4.13Å; L180-V198 HydrophobicContact CD2-CG2 4.36Å; L184-V198 HydrophobicContact CD1-CG2 4.44Å; L184-V198 HydrophobicContact CD2-CG2 4.12Å; K194-V198 WeakPolarHBondContact O-CG2 3.48Å; K194-V198 PolarHBondContact O-N 2.84Å; C195-V198 PolarHBondContact O-N 3.43Å; G196-V198 PolarHBondContact O-N 2.94Å; V198-Y201 PolarHBondContact O-N 3Å; V198-A202 WeakPolarHBondContact O-CB 3.02Å; V198-A202 PolarHBondContact O-N 2.94Å |
| 199 | A | 97.5 | Very high | 96.6 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M108 C195 G196 G197 Y201 A202 M203 | M108-A199 HydrophobicContact SD-CB 4.12Å; C195-A199 WeakPolarHBondContact O-CB 3.35Å; C195-A199 PolarHBondContact O-N 2.93Å; G196-A199 PolarHBondContact O-N 3.34Å; G197-A199 PolarHBondContact O-N 3.1Å; A199-Y201 VanDerWaalsContact C-N 3.34Å; A199-Y201 PolarHBondContact O-N 3.25Å; A199-A202 PolarHBondContact O-N 3.15Å; A199-M203 PolarHBondContact O-N 2.93Å |
| 200 | M | 96.8 | Very high | 96.6 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 176.6 | -75 | -61.6 | -70.2 | 0 | 0 | 112.6 | M108 V129 G196 G197 M203 S204 | M108-M200 HydrophobicContact CB-SD 3.6Å; M108-M200 VanDerWaalsContact CB-SD 3.6Å; V129-M200 HydrophobicContact CG1-CE 3.97Å; G196-M200 WeakPolarHBondContact O-CG 3.45Å; G196-M200 PolarHBondContact O-N 3.26Å; G197-M200 PolarHBondContact O-N 3.28Å; M200-M203 WeakPolarHBondContact O-CB 3.48Å; M200-M203 PolarHBondContact O-N 3.4Å; M200-S204 PolarHBondContact O-N 3.36Å; M200-S204 PolarHBondContact O-OG 3.43Å |
| 201 | Y | 97.9 | Very high | 96.7 | Very high | 55 Ų | 55 | 53 Ų | 53 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 174.5 | -169.4 | -117.8 | 0 | 0 | 0 | 112.1 | R172 I173 G177 L180 G197 V198 A199 M203 S204 W205 | R172-Y201 WeakPolarHBondContact O-CE2 3.45Å; I173-Y201 WeakPolarHBondContact O-CE2 3.15Å; I173-Y201 PolarHBondContact O-OH 2.93Å; G177-Y201 VanDerWaalsContact CA-CE2 3.44Å; L180-Y201 HydrophobicContact CD2-CD1 3.69Å; L180-Y201 HydrophobicContact CD2-CG 3.73Å; G197-Y201 WeakPolarHBondContact O-CB 3.42Å; G197-Y201 PolarHBondContact O-N 3.32Å; V198-Y201 PolarHBondContact O-N 3Å; A199-Y201 VanDerWaalsContact C-N 3.34Å; A199-Y201 PolarHBondContact O-N 3.25Å; Y201-M203 PolarHBondContact O-N 2.95Å; Y201-S204 WeakPolarHBondContact O-CA 3.22Å; Y201-S204 VanDerWaalsContact O-CB 3.31Å; Y201-S204 WeakPolarHBondContact O-CB 3.49Å; Y201-S204 PolarHBondContact O-N 3.19Å; Y201-W205 AromaticContact CD1-CD1 3.98Å; Y201-W205 AromaticContact CD1-NE1 3.83Å; Y201-W205 AromaticContact CE1-CD1 3.77Å; Y201-W205 AromaticContact CE1-NE1 3.15Å; Y201-W205 AromaticContact CZ-NE1 3.25Å; Y201-W205 VanDerWaalsContact CZ-NE1 3.25Å; Y201-W205 PolarHBondContact O-N 3.32Å; Y201-W205 PolarHBondContact OH-NE1 3.36Å |
| 202 | A | 98 | Very high | 96.7 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V198 A199 S204 W205 A206 | V198-A202 WeakPolarHBondContact O-CB 3.02Å; V198-A202 PolarHBondContact O-N 2.94Å; A199-A202 PolarHBondContact O-N 3.15Å; A202-S204 VanDerWaalsContact C-N 3.32Å; A202-S204 PolarHBondContact O-N 2.88Å; A202-W205 WeakPolarHBondContact O-CB 3.29Å; A202-W205 PolarHBondContact O-N 3.35Å; A202-W205 VanDerWaalsContact O-N 3.15Å; A202-A206 PolarHBondContact O-N 3.38Å |
| 203 | M | 96.3 | Very high | 96.8 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -36 | 172.6 | -76.6 | -58.3 | -64.8 | 0 | 0 | 113.7 | V101 A104 H105 M108 A199 M200 Y201 W205 A206 F207 | V101-M203 HydrophobicContact CG1-CE 3.67Å; V101-M203 WeakPolarHBondContact O-CE 3.26Å; A104-M203 HydrophobicContact CB-CE 3.97Å; A104-M203 HydrophobicContact CB-SD 4.46Å; H105-M203 HydrophobicContact CB-CE 3.99Å; M108-M203 HydrophobicContact CE-CE 3.96Å; M108-M203 HydrophobicContact CE-CG 3.15Å; M108-M203 HydrophobicContact CE-SD 3.36Å; M108-M203 WeakPolarHBondContact CE-SD 3.08Å; M108-M203 HydrophobicContact SD-CG 3.62Å; M108-M203 HydrophobicContact SD-SD 4.45Å; A199-M203 PolarHBondContact O-N 2.93Å; M200-M203 WeakPolarHBondContact O-CB 3.48Å; M200-M203 PolarHBondContact O-N 3.4Å; Y201-M203 PolarHBondContact O-N 2.95Å; M203-W205 PolarHBondContact O-N 3.11Å; M203-A206 WeakPolarHBondContact O-CB 3.45Å; M203-A206 PolarHBondContact O-N 3.05Å; M203-A206 HydrophobicContact SD-CB 4.5Å; M203-F207 HydrophobicContact CE-CE2 4.23Å; M203-F207 WeakPolarHBondContact O-CD2 3.11Å; M203-F207 PolarHBondContact O-N 2.97Å |
| 204 | S | 96.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -35.2 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | M200 Y201 A202 M208 | M200-S204 PolarHBondContact O-N 3.36Å; M200-S204 PolarHBondContact O-OG 3.43Å; Y201-S204 WeakPolarHBondContact O-CA 3.22Å; Y201-S204 VanDerWaalsContact O-CB 3.31Å; Y201-S204 WeakPolarHBondContact O-CB 3.49Å; Y201-S204 PolarHBondContact O-N 3.19Å; A202-S204 VanDerWaalsContact C-N 3.32Å; A202-S204 PolarHBondContact O-N 2.88Å; S204-M208 PolarHBondContact O-N 3.25Å |
| 205 | W | 98.1 | Very high | 96.5 | Very high | 124 Ų | 124 | 47.7 Ų | 47.7 | 47% | 0.47 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 171.9 | -75.5 | 100.3 | 0 | 0 | 0 | 113.4 | I173 Y201 A202 M203 F207 M208 V209 | I173-W205 HydrophobicContact CD1-CD2 4.28Å; I173-W205 HydrophobicContact CG2-CH2 3.96Å; I173-W205 HydrophobicContact CG2-CZ2 3.62Å; Y201-W205 AromaticContact CD1-CD1 3.98Å; Y201-W205 AromaticContact CD1-NE1 3.83Å; Y201-W205 AromaticContact CE1-CD1 3.77Å; Y201-W205 AromaticContact CE1-NE1 3.15Å; Y201-W205 AromaticContact CZ-NE1 3.25Å; Y201-W205 VanDerWaalsContact CZ-NE1 3.25Å; Y201-W205 PolarHBondContact O-N 3.32Å; Y201-W205 PolarHBondContact OH-NE1 3.36Å; A202-W205 WeakPolarHBondContact O-CB 3.29Å; A202-W205 PolarHBondContact O-N 3.35Å; A202-W205 VanDerWaalsContact O-N 3.15Å; M203-W205 PolarHBondContact O-N 3.11Å; W205-F207 PolarHBondContact O-N 3.49Å; W205-M208 HydrophobicContact CE3-CB 4.34Å; W205-M208 HydrophobicContact CE3-CG 4.33Å; W205-M208 HydrophobicContact CZ3-CG 4.47Å; W205-M208 VanDerWaalsContact O-CB 3.32Å; W205-M208 WeakPolarHBondContact O-CB 3.23Å; W205-M208 PolarHBondContact O-N 3.02Å; W205-M208 VanDerWaalsContact O-N 3.08Å; W205-V209 PolarHBondContact O-N 3.05Å; W205-V209 VanDerWaalsContact O-N 3.09Å |
| 206 | A | 97.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V101 A202 M203 M208 V209 D210 | V101-A206 HydrophobicContact CG1-CB 4.33Å; A202-A206 PolarHBondContact O-N 3.38Å; M203-A206 WeakPolarHBondContact O-CB 3.45Å; M203-A206 PolarHBondContact O-N 3.05Å; M203-A206 HydrophobicContact SD-CB 4.5Å; A206-M208 VanDerWaalsContact C-N 3.29Å; A206-M208 PolarHBondContact O-N 2.82Å; A206-V209 WeakPolarHBondContact O-CB 3.42Å; A206-V209 PolarHBondContact O-N 3.22Å; A206-D210 PolarHBondContact O-N 3.44Å |
| 207 | F | 96.7 | Very high | 96.2 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 10% | 0.096 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 172.4 | -76 | -57.7 | 0 | 0 | 0 | 112.9 | V101 M102 H105 F168 M203 W205 V209 D210 I211 | V101-F207 HydrophobicContact CB-CE1 4.25Å; V101-F207 HydrophobicContact CG1-CD1 3.76Å; V101-F207 HydrophobicContact CG1-CE1 3.53Å; V101-F207 HydrophobicContact CG1-CE2 4.36Å; V101-F207 HydrophobicContact CG1-CG 4.27Å; V101-F207 HydrophobicContact CG1-CZ 3.86Å; M102-F207 HydrophobicContact CE-CE1 3.76Å; M102-F207 HydrophobicContact CE-CZ 3.8Å; H105-F207 HydrophobicContact CB-CE2 3.74Å; H105-F207 HydrophobicContact CB-CZ 3.74Å; H105-F207 AromaticContact CG-CE2 3.81Å; F168-F207 HydrophobicContact CE1-CB 4.45Å; F168-F207 HydrophobicContact CE2-CB 3.87Å; F168-F207 HydrophobicContact CE2-CG 4.46Å; F168-F207 HydrophobicContact CZ-CB 3.45Å; F168-F207 VanDerWaalsContact CZ-CB 3.45Å; F168-F207 HydrophobicContact CZ-CG 4.38Å; M203-F207 HydrophobicContact CE-CE2 4.23Å; M203-F207 WeakPolarHBondContact O-CD2 3.11Å; M203-F207 PolarHBondContact O-N 2.97Å; W205-F207 PolarHBondContact O-N 3.49Å; F207-V209 VanDerWaalsContact C-N 3.3Å; F207-V209 PolarHBondContact O-N 2.93Å; F207-D210 PolarHBondContact O-N 2.93Å; F207-I211 VanDerWaalsContact O-CG1 3.3Å; F207-I211 WeakPolarHBondContact O-CG1 3.45Å; F207-I211 PolarHBondContact O-N 3.22Å |
| 208 | M | 97.3 | Very high | 95.8 | Very high | 25 Ų | 25 | 57 Ų | 57 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 176.3 | -176.7 | 54.8 | 74.1 | 0 | 0 | 111.9 | F168 V169 I173 S204 W205 A206 D210 I211 V212 | F168-M208 HydrophobicContact CD1-CE 3.73Å; F168-M208 HydrophobicContact CE1-CB 4.44Å; F168-M208 HydrophobicContact CE1-CE 3.86Å; V169-M208 HydrophobicContact CB-CE 4.35Å; V169-M208 HydrophobicContact CG2-CE 3.48Å; V169-M208 VanDerWaalsContact CG2-CE 3.48Å; V169-M208 HydrophobicContact CG2-SD 4.41Å; I173-M208 HydrophobicContact CD1-CB 4.5Å; I173-M208 HydrophobicContact CD1-CE 4.02Å; I173-M208 HydrophobicContact CG1-CE 3.44Å; I173-M208 VanDerWaalsContact CG1-CE 3.44Å; S204-M208 PolarHBondContact O-N 3.25Å; W205-M208 HydrophobicContact CE3-CB 4.34Å; W205-M208 HydrophobicContact CE3-CG 4.33Å; W205-M208 HydrophobicContact CZ3-CG 4.47Å; W205-M208 VanDerWaalsContact O-CB 3.32Å; W205-M208 WeakPolarHBondContact O-CB 3.23Å; W205-M208 PolarHBondContact O-N 3.02Å; W205-M208 VanDerWaalsContact O-N 3.08Å; A206-M208 VanDerWaalsContact C-N 3.29Å; A206-M208 PolarHBondContact O-N 2.82Å; M208-D210 VanDerWaalsContact C-N 3.32Å; M208-D210 PolarHBondContact O-N 3.49Å; M208-I211 PolarHBondContact O-N 3.37Å; M208-I211 HydrophobicContact SD-CB 4.5Å; M208-V212 HydrophobicContact CG-CG2 4.38Å; M208-V212 WeakPolarHBondContact O-CG2 3.32Å; M208-V212 PolarHBondContact O-N 3.44Å; M208-V212 HydrophobicContact SD-CG2 4.16Å |
| 209 | V | 96.9 | Very high | 95.4 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 62% | 0.624 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.4 | -45 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 111 | W205 A206 F207 I211 V212 G213 | W205-V209 PolarHBondContact O-N 3.05Å; W205-V209 VanDerWaalsContact O-N 3.09Å; A206-V209 WeakPolarHBondContact O-CB 3.42Å; A206-V209 PolarHBondContact O-N 3.22Å; F207-V209 VanDerWaalsContact C-N 3.3Å; F207-V209 PolarHBondContact O-N 2.93Å; V209-I211 VanDerWaalsContact C-N 3.34Å; V209-I211 PolarHBondContact O-N 3.34Å; V209-V212 PolarHBondContact O-N 3.31Å; V209-G213 PolarHBondContact O-N 2.95Å |
| 210 | D | 94.8 | Very high | 95.1 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 177.2 | -70.4 | -24.8 | 0 | 0 | 0 | 112.1 | A206 F207 M208 G213 F214 | A206-D210 PolarHBondContact O-N 3.44Å; F207-D210 PolarHBondContact O-N 2.93Å; M208-D210 VanDerWaalsContact C-N 3.32Å; M208-D210 PolarHBondContact O-N 3.49Å; D210-G213 PolarHBondContact O-N 3.38Å; D210-F214 WeakPolarHBondContact O-CB 3.48Å; D210-F214 PolarHBondContact O-N 2.97Å |
| 211 | I | 95.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 177.6 | -70 | 169.1 | 0 | 0 | 0 | 111 | F164 V165 F168 F207 M208 V209 G213 F214 V215 | F164-I211 HydrophobicContact CE1-CD1 3.82Å; F164-I211 HydrophobicContact CE1-CG1 4.07Å; F164-I211 HydrophobicContact CZ-CD1 4.24Å; V165-I211 HydrophobicContact CG1-CG2 4.19Å; V165-I211 HydrophobicContact CG2-CG2 3.81Å; F168-I211 HydrophobicContact CB-CD1 4.21Å; F168-I211 HydrophobicContact CD1-CD1 3.54Å; F168-I211 HydrophobicContact CD2-CD1 3.56Å; F168-I211 HydrophobicContact CE1-CD1 3.75Å; F168-I211 HydrophobicContact CE2-CD1 3.72Å; F168-I211 HydrophobicContact CG-CD1 3.48Å; F168-I211 VanDerWaalsContact CG-CD1 3.48Å; F168-I211 HydrophobicContact CZ-CD1 3.85Å; F207-I211 VanDerWaalsContact O-CG1 3.3Å; F207-I211 WeakPolarHBondContact O-CG1 3.45Å; F207-I211 PolarHBondContact O-N 3.22Å; M208-I211 PolarHBondContact O-N 3.37Å; M208-I211 HydrophobicContact SD-CB 4.5Å; V209-I211 VanDerWaalsContact C-N 3.34Å; V209-I211 PolarHBondContact O-N 3.34Å; I211-G213 VanDerWaalsContact C-N 3.32Å; I211-G213 PolarHBondContact O-N 3.36Å; I211-F214 WeakPolarHBondContact O-CA 3.42Å; I211-F214 WeakPolarHBondContact O-CB 3.26Å; I211-F214 PolarHBondContact O-N 3.31Å; I211-F214 VanDerWaalsContact O-N 3.11Å; I211-V215 HydrophobicContact CG2-CG2 4.36Å; I211-V215 WeakPolarHBondContact O-CG2 3.29Å; I211-V215 PolarHBondContact O-N 2.9Å |
| 212 | V | 95.9 | Very high | 94.1 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 175.9 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | M208 V209 F214 V215 M216 | M208-V212 HydrophobicContact CG-CG2 4.38Å; M208-V212 WeakPolarHBondContact O-CG2 3.32Å; M208-V212 PolarHBondContact O-N 3.44Å; M208-V212 HydrophobicContact SD-CG2 4.16Å; V209-V212 PolarHBondContact O-N 3.31Å; V212-F214 VanDerWaalsContact C-N 3.29Å; V212-F214 PolarHBondContact O-N 3Å; V212-V215 PolarHBondContact O-N 2.8Å; V212-M216 HydrophobicContact CG1-CG 4.39Å; V212-M216 HydrophobicContact CG1-SD 4Å; V212-M216 VanDerWaalsContact O-CG 3.29Å; V212-M216 WeakPolarHBondContact O-CG 3.43Å; V212-M216 PolarHBondContact O-N 3.42Å |
| 213 | G | 95.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V209 D210 I211 R217 | V209-G213 PolarHBondContact O-N 2.95Å; D210-G213 PolarHBondContact O-N 3.38Å; I211-G213 VanDerWaalsContact C-N 3.32Å; I211-G213 PolarHBondContact O-N 3.36Å; G213-R217 WeakPolarHBondContact O-CG 3.48Å; G213-R217 PolarHBondContact O-N 2.95Å; G213-R217 VanDerWaalsContact O-N 3.12Å; G213-R217 PolarHBondContact O-NH1 3.49Å |
| 214 | F | 93.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 71.5 Ų | 71.5 | 16% | 0.158 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 174.6 | 163.5 | -102.9 | 0 | 0 | 0 | 112.5 | D161 D210 I211 V212 M216 R217 R218 | D161-F214 HydrophobicContact CB-CE1 4.2Å; D161-F214 HydrophobicContact CB-CZ 4.09Å; D161-F214 WeakPolarHBondContact OD2-CZ 3.29Å; D210-F214 WeakPolarHBondContact O-CB 3.48Å; D210-F214 PolarHBondContact O-N 2.97Å; I211-F214 WeakPolarHBondContact O-CA 3.42Å; I211-F214 WeakPolarHBondContact O-CB 3.26Å; I211-F214 PolarHBondContact O-N 3.31Å; I211-F214 VanDerWaalsContact O-N 3.11Å; V212-F214 VanDerWaalsContact C-N 3.29Å; V212-F214 PolarHBondContact O-N 3Å; F214-M216 VanDerWaalsContact C-N 3.34Å; F214-M216 PolarHBondContact O-N 3.46Å; F214-R217 PolarHBondContact O-N 2.99Å; F214-R218 PolarHBondContact O-N 2.91Å |
| 215 | V | 93.9 | Very high | 92.9 | Very high | 70 Ų | 70 | 73.7 Ų | 73.7 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 179 | 171 | 0 | 0 | 0 | 0 | 110.9 | V165 I211 V212 R217 R218 G219 | V165-V215 HydrophobicContact CG1-CG2 4.45Å; V165-V215 HydrophobicContact CG2-CG2 4.03Å; I211-V215 HydrophobicContact CG2-CG2 4.36Å; I211-V215 WeakPolarHBondContact O-CG2 3.29Å; I211-V215 PolarHBondContact O-N 2.9Å; V212-V215 PolarHBondContact O-N 2.8Å; V215-R217 PolarHBondContact O-N 3.13Å; V215-R218 PolarHBondContact O-N 3.45Å; V215-G219 PolarHBondContact O-N 2.95Å |
| 216 | M | 93.9 | Very high | 92.4 | Very high | 115 Ų | 115 | 74.8 Ų | 74.8 | 57% | 0.567 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61 | -42.9 | 177 | -70.2 | 176 | 75 | 0 | 0 | 112.2 | V212 F214 K220 | V212-M216 HydrophobicContact CG1-CG 4.39Å; V212-M216 HydrophobicContact CG1-SD 4Å; V212-M216 VanDerWaalsContact O-CG 3.29Å; V212-M216 WeakPolarHBondContact O-CG 3.43Å; V212-M216 PolarHBondContact O-N 3.42Å; F214-M216 VanDerWaalsContact C-N 3.34Å; F214-M216 PolarHBondContact O-N 3.46Å; M216-K220 WeakPolarHBondContact O-CG 3.36Å; M216-K220 PolarHBondContact O-N 3.5Å; M216-K220 VanDerWaalsContact O-N 3.12Å |
| 217 | R | 92.3 | Very high | 92.1 | Very high | 163 Ų | 163 | 76.3 Ų | 76.3 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.4 | -43.6 | 176.4 | -72.9 | -174 | -61.8 | -91.1 | 3.8 | 111.5 | G213 F214 V215 K220 R221 | G213-R217 WeakPolarHBondContact O-CG 3.48Å; G213-R217 PolarHBondContact O-N 2.95Å; G213-R217 VanDerWaalsContact O-N 3.12Å; G213-R217 PolarHBondContact O-NH1 3.49Å; F214-R217 PolarHBondContact O-N 2.99Å; V215-R217 PolarHBondContact O-N 3.13Å; R217-K220 PolarHBondContact O-N 2.95Å; R217-R221 PolarHBondContact O-N 2.9Å |
| 218 | R | 89.3 | Confident | 91.7 | Very high | 18 Ų | 18 | 81.7 Ų | 81.7 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 178.1 | -167 | 71 | 170.3 | -167.8 | 2.8 | 111.4 | Y152 E153 D158 F214 V215 K220 R221 W222 | Y152-R218 VanDerWaalsContact CE1-NH1 3.31Å; Y152-R218 PolarHBondContact OH-NH1 3.36Å; E153-R218 IonicContact OE1-NH1 3.8Å; E153-R218 IonicContact OE2-NH1 2.67Å; E153-R218 IonicContact OE2-NH2 3.21Å; D158-R218 IonicContact OD1-CZ 3.91Å; D158-R218 IonicContact OD1-NE 3.95Å; D158-R218 IonicContact OD1-NH2 3.48Å; D158-R218 PolarHBondContact OD1-NH2 3.35Å; F214-R218 PolarHBondContact O-N 2.91Å; V215-R218 PolarHBondContact O-N 3.45Å; R218-K220 PolarHBondContact O-N 3.25Å; R218-R221 VanDerWaalsContact NH1-NH1 3.13Å; R218-R221 VanDerWaalsContact NH2-NH2 3.19Å; R218-R221 WeakPolarHBondContact O-CB 3.41Å; R218-R221 PolarHBondContact O-N 3.39Å; R218-R221 VanDerWaalsContact O-N 3.16Å; R218-W222 HydrophobicContact CG-CD2 4.35Å; R218-W222 HydrophobicContact CG-CH2 4.36Å; R218-W222 HydrophobicContact CG-CZ2 3.97Å; R218-W222 PolarHBondContact O-N 2.96Å |
| 219 | G | 88.9 | Confident | 91.3 | Very high | 21 Ų | 21 | 89 Ų | 89 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V215 R221 W222 H223 | V215-G219 PolarHBondContact O-N 2.95Å; G219-R221 VanDerWaalsContact C-N 3.31Å; G219-R221 PolarHBondContact O-N 3.28Å; G219-W222 PolarHBondContact O-N 3.5Å; G219-H223 PolarHBondContact O-CD2 2.87Å; G219-H223 PolarHBondContact O-N 3.25Å |
| 220 | K | 90.9 | Very high | 90.9 | Very high | 139 Ų | 139 | 91.8 Ų | 91.8 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58 | -42.6 | 174.5 | -74.3 | 178.2 | -179.3 | -177.3 | 0 | 112.2 | M216 R217 R218 H223 Q224 | M216-K220 WeakPolarHBondContact O-CG 3.36Å; M216-K220 PolarHBondContact O-N 3.5Å; M216-K220 VanDerWaalsContact O-N 3.12Å; R217-K220 PolarHBondContact O-N 2.95Å; R218-K220 PolarHBondContact O-N 3.25Å; K220-H223 PolarHBondContact O-N 2.75Å; K220-Q224 WeakPolarHBondContact O-CG 3.32Å; K220-Q224 PolarHBondContact O-N 3.26Å |
| 221 | R | 87.5 | Confident | 90.7 | Very high | 73 Ų | 73 | 96.5 Ų | 96.5 | 28% | 0.275 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 178.6 | -160.6 | -176.2 | 74.7 | 174.9 | 7.5 | 111.7 | E153 R217 R218 G219 H223 Q224 E225 | E153-R221 IonicContact OE1-CZ 2.67Å; E153-R221 IonicContact OE1-NH1 3.78Å; E153-R221 PolarHBondContact OE1-NH1 2.87Å; E153-R221 IonicContact OE1-NH2 3.62Å; E153-R221 IonicContact OE2-CZ 3.22Å; E153-R221 VanDerWaalsContact OE2-CZ 3.31Å; E153-R221 IonicContact OE2-NH1 3.31Å; E153-R221 PolarHBondContact OE2-NH1 2.87Å; E153-R221 IonicContact OE2-NH2 3.54Å; E153-R221 PolarHBondContact OE2-NH2 3.43Å; R217-R221 PolarHBondContact O-N 2.9Å; R218-R221 VanDerWaalsContact NH1-NH1 3.13Å; R218-R221 VanDerWaalsContact NH2-NH2 3.19Å; R218-R221 WeakPolarHBondContact O-CB 3.41Å; R218-R221 PolarHBondContact O-N 3.39Å; R218-R221 VanDerWaalsContact O-N 3.16Å; G219-R221 VanDerWaalsContact C-N 3.31Å; G219-R221 PolarHBondContact O-N 3.28Å; R221-H223 VanDerWaalsContact C-N 3.33Å; R221-H223 PolarHBondContact O-N 3.3Å; R221-Q224 PolarHBondContact O-N 2.88Å; R221-E225 WeakPolarHBondContact CG-OE1 3.48Å; R221-E225 IonicContact CZ-OE1 3.12Å; R221-E225 IonicContact NE-OE1 2.76Å; R221-E225 PolarHBondContact NE-OE1 3.2Å; R221-E225 IonicContact NH2-OE1 2.68Å; R221-E225 WeakPolarHBondContact O-CG 3.38Å; R221-E225 PolarHBondContact O-N 3.43Å |
| 222 | W | 86.2 | Confident | 90.4 | Very high | 99 Ų | 99 | 98.3 Ų | 98.3 | 38% | 0.375 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 176.1 | -70.6 | -22.5 | 0 | 0 | 0 | 112.9 | D158 R218 G219 E225 R226 | D158-W222 HydrophobicContact CB-CZ2 4.48Å; D158-W222 WeakPolarHBondContact OD1-CZ2 3Å; R218-W222 HydrophobicContact CG-CD2 4.35Å; R218-W222 HydrophobicContact CG-CH2 4.36Å; R218-W222 HydrophobicContact CG-CZ2 3.97Å; R218-W222 PolarHBondContact O-N 2.96Å; G219-W222 PolarHBondContact O-N 3.5Å; W222-E225 PolarHBondContact O-N 2.95Å; W222-R226 WeakPolarHBondContact O-CB 3.48Å; W222-R226 VanDerWaalsContact O-CG 3.23Å; W222-R226 WeakPolarHBondContact O-CG 3.46Å; W222-R226 PolarHBondContact O-N 3.45Å |
| 223 | H | 88.6 | Confident | 89.9 | Confident | 121 Ų | 121 | 97.5 Ų | 97.5 | 56% | 0.56 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.2 | -47.1 | 173.6 | -84.5 | -69.7 | 0 | 0 | 0 | 111.7 | G219 K220 R221 E225 R226 D227 | G219-H223 PolarHBondContact O-CD2 2.87Å; G219-H223 PolarHBondContact O-N 3.25Å; K220-H223 PolarHBondContact O-N 2.75Å; R221-H223 VanDerWaalsContact C-N 3.33Å; R221-H223 PolarHBondContact O-N 3.3Å; H223-E225 PolarHBondContact O-N 3.49Å; H223-R226 PolarHBondContact O-N 3.29Å; H223-D227 PolarHBondContact O-N 2.87Å |
| 224 | Q | 89.8 | Confident | 89.4 | Confident | 123 Ų | 123 | 99.7 Ų | 99.7 | 58% | 0.575 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 177.4 | -70.7 | 172.5 | -14.9 | 0 | 0 | 112.4 | K220 R221 R226 D227 Q228 | K220-Q224 WeakPolarHBondContact O-CG 3.32Å; K220-Q224 PolarHBondContact O-N 3.26Å; R221-Q224 PolarHBondContact O-N 2.88Å; Q224-R226 VanDerWaalsContact C-N 3.35Å; Q224-R226 PolarHBondContact O-N 2.96Å; Q224-D227 PolarHBondContact O-N 2.95Å; Q224-Q228 WeakPolarHBondContact O-CB 3.49Å; Q224-Q228 VanDerWaalsContact O-CG 3.31Å; Q224-Q228 WeakPolarHBondContact O-CG 3.45Å; Q224-Q228 PolarHBondContact O-N 3.42Å |
| 225 | E | 87.7 | Confident | 88.8 | Confident | 60 Ų | 60 | 106.6 Ų | 106.6 | 28% | 0.28 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 177.3 | -72.1 | 169.4 | -157.6 | 0 | 0 | 111.8 | R221 W222 H223 R229 | R221-E225 WeakPolarHBondContact CG-OE1 3.48Å; R221-E225 IonicContact CZ-OE1 3.12Å; R221-E225 IonicContact NE-OE1 2.76Å; R221-E225 PolarHBondContact NE-OE1 3.2Å; R221-E225 IonicContact NH2-OE1 2.68Å; R221-E225 WeakPolarHBondContact O-CG 3.38Å; R221-E225 PolarHBondContact O-N 3.43Å; W222-E225 PolarHBondContact O-N 2.95Å; H223-E225 PolarHBondContact O-N 3.49Å; E225-R229 VanDerWaalsContact O-CG 3.3Å; E225-R229 WeakPolarHBondContact O-CG 3.47Å; E225-R229 PolarHBondContact O-N 3.04Å |
| 226 | R | 88.1 | Confident | 87.7 | Confident | 147 Ų | 147 | 112 Ų | 112 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 176.9 | -72.4 | 177.6 | 81.9 | 179.5 | 7 | 111.8 | W222 H223 Q224 R229 R230 | W222-R226 WeakPolarHBondContact O-CB 3.48Å; W222-R226 VanDerWaalsContact O-CG 3.23Å; W222-R226 WeakPolarHBondContact O-CG 3.46Å; W222-R226 PolarHBondContact O-N 3.45Å; H223-R226 PolarHBondContact O-N 3.29Å; Q224-R226 VanDerWaalsContact C-N 3.35Å; Q224-R226 PolarHBondContact O-N 2.96Å; R226-R229 PolarHBondContact O-N 3.41Å; R226-R230 WeakPolarHBondContact O-CG 3.3Å; R226-R230 PolarHBondContact O-N 3.3Å |
| 227 | D | 90.3 | Very high | 85.9 | Confident | 72 Ų | 72 | 115.9 Ų | 115.9 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 178.6 | -73.3 | -14.1 | 0 | 0 | 0 | 112 | H223 Q224 R230 R231 | H223-D227 PolarHBondContact O-N 2.87Å; Q224-D227 PolarHBondContact O-N 2.95Å; D227-R230 PolarHBondContact O-N 3.4Å; D227-R231 WeakPolarHBondContact O-CG 3.49Å; D227-R231 PolarHBondContact O-N 3.11Å |
| 228 | Q | 89.4 | Confident | 85.6 | Confident | 134 Ų | 134 | 113.5 Ų | 113.5 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 173.3 | -74.4 | 176.6 | 1.5 | 0 | 0 | 111.8 | Q224 R230 R231 A232 | Q224-Q228 WeakPolarHBondContact O-CB 3.49Å; Q224-Q228 VanDerWaalsContact O-CG 3.31Å; Q224-Q228 WeakPolarHBondContact O-CG 3.45Å; Q224-Q228 PolarHBondContact O-N 3.42Å; Q228-R230 PolarHBondContact O-N 3.42Å; Q228-R231 PolarHBondContact O-N 3.42Å; Q228-A232 WeakPolarHBondContact O-CB 3.32Å; Q228-A232 PolarHBondContact O-N 3.45Å |
| 229 | R | 88.8 | Confident | 85.4 | Confident | 180 Ų | 180 | 118.5 Ų | 118.5 | 68% | 0.679 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.5 | -41.9 | 176.5 | -72.6 | 176.6 | -170.1 | -175.7 | 6.5 | 112 | E225 R226 A232 A233 | E225-R229 VanDerWaalsContact O-CG 3.3Å; E225-R229 WeakPolarHBondContact O-CG 3.47Å; E225-R229 PolarHBondContact O-N 3.04Å; R226-R229 PolarHBondContact O-N 3.41Å; R229-A232 PolarHBondContact O-N 3.45Å; R229-A233 PolarHBondContact O-N 2.95Å |
| 230 | R | 89.3 | Confident | 85.2 | Confident | 161 Ų | 161 | 123.9 Ų | 123.9 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.2 | -46.8 | 175.2 | -76.1 | 172.6 | 171 | -177.9 | -6.4 | 112.1 | R226 D227 Q228 A232 A233 A234 | R226-R230 WeakPolarHBondContact O-CG 3.3Å; R226-R230 PolarHBondContact O-N 3.3Å; D227-R230 PolarHBondContact O-N 3.4Å; Q228-R230 PolarHBondContact O-N 3.42Å; R230-A232 VanDerWaalsContact C-N 3.32Å; R230-A232 PolarHBondContact O-N 2.87Å; R230-A233 PolarHBondContact O-N 3.22Å; R230-A234 PolarHBondContact O-N 3.45Å |
| 231 | R | 90 | Very high | 84.8 | Confident | 187 Ų | 187 | 123.1 Ų | 123.1 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.2 | -35.3 | 176.7 | -71.5 | 177.2 | -177.5 | -170.4 | 1.3 | 112.6 | D227 Q228 K235 | D227-R231 WeakPolarHBondContact O-CG 3.49Å; D227-R231 PolarHBondContact O-N 3.11Å; Q228-R231 PolarHBondContact O-N 3.42Å; R231-K235 WeakPolarHBondContact O-CG 3.4Å; R231-K235 PolarHBondContact O-N 2.87Å |
| 232 | A | 88.3 | Confident | 84.7 | Confident | 53 Ų | 53 | 126.2 Ų | 126.2 | 44% | 0.438 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.8 | -35.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q228 R229 R230 | Q228-A232 WeakPolarHBondContact O-CB 3.32Å; Q228-A232 PolarHBondContact O-N 3.45Å; R229-A232 PolarHBondContact O-N 3.45Å; R230-A232 VanDerWaalsContact C-N 3.32Å; R230-A232 PolarHBondContact O-N 2.87Å |
| 233 | A | 86 | Confident | 84.6 | Confident | 55 Ų | 55 | 128 Ų | 128 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.8 | -47.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R229 R230 K235 K236 | R229-A233 PolarHBondContact O-N 2.95Å; R230-A233 PolarHBondContact O-N 3.22Å; A233-K235 PolarHBondContact O-N 3.24Å; A233-K235 VanDerWaalsContact O-N 3.1Å; A233-K236 PolarHBondContact O-N 3.07Å |
| 234 | A | 84.5 | Confident | 84.3 | Confident | 67 Ų | 67 | 128.5 Ų | 128.5 | 55% | 0.554 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -10.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R230 | R230-A234 PolarHBondContact O-N 3.45Š|
| 235 | K | 80.3 | Confident | 83.8 | Confident | 181 Ų | 181 | 128.9 Ų | 128.9 | 79% | 0.787 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -8.7 | 173.4 | -78.5 | -176.2 | 177.3 | -171.8 | 0 | 113.4 | R231 A233 | R231-K235 WeakPolarHBondContact O-CG 3.4Å; R231-K235 PolarHBondContact O-N 2.87Å; A233-K235 PolarHBondContact O-N 3.24Å; A233-K235 VanDerWaalsContact O-N 3.1Å |
| 236 | K | 71.2 | Confident | 83.5 | Confident | 183 Ų | 183 | 134.7 Ų | 134.7 | 80% | 0.796 | 64% | 0.636 | S | S | * | * | trans | -96 | -9.7 | 179.1 | -73 | -178.6 | 175.3 | -173 | 0 | 112.7 | A233 | A233-K236 PolarHBondContact O-N 3.07Š| ||
| 237 | D | 56.2 | Low | 83.1 | Confident | 196 Ų | 196 | 133.5 Ų | 133.5 | 100% | 1.048 | 64% | 0.644 | S | S | * | * | trans | -97.4 | 0 | 171.6 | -56.9 | -28.9 | 0 | 0 | 0 | 109.5 |
Retrieved 237 of 237 residues in 178.1 ms
(Link to these results)