| 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 | 68 | Low | 73.6 | Confident | 195 Ų | 195 | 114.5 Ų | 114.5 | 96% | 0.961 | 60% | 0.596 | S | S | * | * | 0 | -51.4 | 0 | -157.4 | 176.9 | 141.1 | 0 | 0 | 112.3 | L3 T4 V5 | M1-L3 PolarHBondContact O-N 3.38Å; M1-T4 PolarHBondContact O-OG1 3.48Å; M1-V5 WeakPolarHBondContact O-CG2 3.29Å; M1-V5 PolarHBondContact O-N 3.01Å | |||
| 2 | V | 68.8 | Low | 73.6 | Confident | 114 Ų | 114 | 119.2 Ų | 119.2 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.3 | -41.1 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 112.8 | T4 V5 L6 | V2-T4 PolarHBondContact O-N 3.45Å; V2-V5 PolarHBondContact O-N 2.89Å; V2-L6 HydrophobicContact CG1-CD1 4.12Å; V2-L6 PolarHBondContact O-N 3.35Å |
| 3 | L | 73.7 | Confident | 73.2 | Confident | 126 Ų | 126 | 114.2 Ų | 114.2 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.9 | -41.2 | -179.7 | -172.6 | 66.9 | 0 | 0 | 0 | 113 | M1 L6 I7 | M1-L3 PolarHBondContact O-N 3.38Å; L3-L6 PolarHBondContact O-N 3.48Å; L3-I7 HydrophobicContact CD1-CD1 4.43Å; L3-I7 HydrophobicContact CG-CD1 3.99Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.49Å; L3-I7 PolarHBondContact O-N 3.02Å |
| 4 | T | 79.4 | Confident | 72.9 | Confident | 80 Ų | 80 | 112.6 Ų | 112.6 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65 | -40.4 | 177.7 | 38 | 0 | 0 | 0 | 0 | 111.6 | M1 V2 I7 E8 | M1-T4 PolarHBondContact O-OG1 3.48Å; V2-T4 PolarHBondContact O-N 3.45Å; T4-I7 PolarHBondContact O-N 2.85Å; T4-E8 WeakPolarHBondContact O-CG 3.28Å; T4-E8 PolarHBondContact O-N 3.37Å |
| 5 | V | 78.5 | Confident | 72.8 | Confident | 73 Ų | 73 | 111.3 Ų | 111.3 | 44% | 0.442 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -41.8 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | M1 V2 I7 E8 V9 | M1-V5 WeakPolarHBondContact O-CG2 3.29Å; M1-V5 PolarHBondContact O-N 3.01Å; V2-V5 PolarHBondContact O-N 2.89Å; V5-I7 PolarHBondContact O-N 2.92Å; V5-E8 PolarHBondContact O-N 3.35Å; V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.3Å; V5-V9 PolarHBondContact O-N 3.5Å |
| 6 | L | 75.7 | Confident | 72.8 | Confident | 108 Ų | 108 | 108.8 Ų | 108.8 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.2 | -42.1 | 176.4 | -79.1 | 168.6 | 0 | 0 | 0 | 112 | V2 L3 V9 F10 | V2-L6 HydrophobicContact CG1-CD1 4.12Å; V2-L6 PolarHBondContact O-N 3.35Å; L3-L6 PolarHBondContact O-N 3.48Å; L6-V9 PolarHBondContact O-N 3.31Å; L6-F10 VanDerWaalsContact O-CB 3.3Å; L6-F10 WeakPolarHBondContact O-CB 3.38Å; L6-F10 PolarHBondContact O-N 2.83Å |
| 7 | I | 76.3 | Confident | 73.1 | Confident | 83 Ų | 83 | 107.5 Ų | 107.5 | 43% | 0.426 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -45.4 | 176.2 | -70.2 | 167.6 | 0 | 0 | 0 | 110.3 | L3 T4 V5 F10 H11 | L3-I7 HydrophobicContact CD1-CD1 4.43Å; L3-I7 HydrophobicContact CG-CD1 3.99Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.49Å; L3-I7 PolarHBondContact O-N 3.02Å; T4-I7 PolarHBondContact O-N 2.85Å; V5-I7 PolarHBondContact O-N 2.92Å; I7-F10 PolarHBondContact O-N 3.3Å; I7-H11 VanDerWaalsContact CG2-CD2 3.46Å; I7-H11 WeakPolarHBondContact CG2-CD2 3.46Å; I7-H11 WeakPolarHBondContact O-CB 3.42Å; I7-H11 PolarHBondContact O-CD2 2.95Å; I7-H11 PolarHBondContact O-N 3.13Å |
| 8 | E | 78.1 | Confident | 73.4 | Confident | 134 Ų | 134 | 106.1 Ų | 106.1 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 177.2 | -76.5 | 176.4 | 179.4 | 0 | 0 | 112.7 | T4 V5 F10 H11 Y12 | T4-E8 WeakPolarHBondContact O-CG 3.28Å; T4-E8 PolarHBondContact O-N 3.37Å; V5-E8 PolarHBondContact O-N 3.35Å; E8-F10 VanDerWaalsContact C-N 3.33Å; E8-F10 PolarHBondContact O-N 3.48Å; E8-H11 PolarHBondContact O-N 2.91Å; E8-Y12 VanDerWaalsContact O-CB 3.29Å; E8-Y12 WeakPolarHBondContact O-CB 3.44Å; E8-Y12 PolarHBondContact O-N 2.94Å |
| 9 | V | 73 | Confident | 73.7 | Confident | 88 Ų | 88 | 104.4 Ų | 104.4 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | V5 L6 Y12 S13 | V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.3Å; V5-V9 PolarHBondContact O-N 3.5Å; L6-V9 PolarHBondContact O-N 3.31Å; V9-Y12 PolarHBondContact O-N 2.85Å; V9-S13 WeakPolarHBondContact O-CB 3.48Å; V9-S13 PolarHBondContact O-N 3.06Å; V9-S13 PolarHBondContact O-OG 2.85Å |
| 10 | F | 70.5 | Confident | 74.1 | Confident | 134 Ų | 134 | 104.2 Ų | 104.2 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.6 | -42.8 | 176.5 | -147.3 | -85.6 | 0 | 0 | 0 | 111.5 | L6 I7 E8 S13 M14 | L6-F10 VanDerWaalsContact O-CB 3.3Å; L6-F10 WeakPolarHBondContact O-CB 3.38Å; L6-F10 PolarHBondContact O-N 2.83Å; I7-F10 PolarHBondContact O-N 3.3Å; E8-F10 VanDerWaalsContact C-N 3.33Å; E8-F10 PolarHBondContact O-N 3.48Å; F10-S13 WeakPolarHBondContact CA-OG 3.46Å; F10-S13 PolarHBondContact O-OG 2.92Å; F10-S13 VanDerWaalsContact O-OG 3.06Å; F10-M14 HydrophobicContact CD1-CE 4.24Å; F10-M14 HydrophobicContact CD1-CG 3.93Å; F10-M14 HydrophobicContact CD1-SD 4.42Å; F10-M14 HydrophobicContact CE1-CE 4.15Å; F10-M14 HydrophobicContact CE1-CG 3.93Å; F10-M14 HydrophobicContact CE1-SD 3.99Å; F10-M14 WeakPolarHBondContact O-CB 3.29Å; F10-M14 WeakPolarHBondContact O-CG 3.24Å; F10-M14 PolarHBondContact O-N 3.38Å |
| 11 | H | 68.2 | Low | 74.5 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 173.8 | -82.6 | -69.1 | 0 | 0 | 0 | 112 | I7 E8 N15 | I7-H11 VanDerWaalsContact CG2-CD2 3.46Å; I7-H11 WeakPolarHBondContact CG2-CD2 3.46Å; I7-H11 WeakPolarHBondContact O-CB 3.42Å; I7-H11 PolarHBondContact O-CD2 2.95Å; I7-H11 PolarHBondContact O-N 3.13Å; E8-H11 PolarHBondContact O-N 2.91Å; H11-N15 VanDerWaalsContact O-CB 3.23Å; H11-N15 WeakPolarHBondContact O-CB 3.36Å; H11-N15 PolarHBondContact O-N 3.44Å |
| 12 | Y | 73.1 | Confident | 75.2 | Confident | 171 Ų | 171 | 96.3 Ų | 96.3 | 67% | 0.671 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 179.3 | -167.6 | -104.9 | 0 | 0 | 0 | 111.7 | E8 V9 N15 I16 | E8-Y12 VanDerWaalsContact O-CB 3.29Å; E8-Y12 WeakPolarHBondContact O-CB 3.44Å; E8-Y12 PolarHBondContact O-N 2.94Å; V9-Y12 PolarHBondContact O-N 2.85Å; Y12-N15 PolarHBondContact O-N 3.29Å; Y12-I16 HydrophobicContact CD1-CD1 3.6Å; Y12-I16 HydrophobicContact CE1-CD1 3.32Å; Y12-I16 HydrophobicContact CE1-CG1 4.38Å; Y12-I16 HydrophobicContact CG-CD1 4.4Å; Y12-I16 WeakPolarHBondContact O-CG1 3.35Å; Y12-I16 PolarHBondContact O-N 3.38Å |
| 13 | S | 68.2 | Low | 75.9 | Confident | 55 Ų | 55 | 95.6 Ų | 95.6 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 177.3 | 56 | 0 | 0 | 0 | 0 | 113.1 | V9 F10 T17 | V9-S13 WeakPolarHBondContact O-CB 3.48Å; V9-S13 PolarHBondContact O-N 3.06Å; V9-S13 PolarHBondContact O-OG 2.85Å; F10-S13 WeakPolarHBondContact CA-OG 3.46Å; F10-S13 PolarHBondContact O-OG 2.92Å; F10-S13 VanDerWaalsContact O-OG 3.06Å; S13-T17 WeakPolarHBondContact O-CG2 3.48Å; S13-T17 PolarHBondContact O-N 2.94Å; S13-T17 VanDerWaalsContact O-N 3.14Å; S13-T17 PolarHBondContact O-OG1 3.14Å; S13-T17 VanDerWaalsContact O-OG1 3.09Å |
| 14 | M | 69.2 | Low | 76.3 | Confident | 92 Ų | 92 | 93.2 Ų | 93.2 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 172.9 | -74.8 | -130.6 | -71.5 | 0 | 0 | 112.1 | F10 I16 T17 I18 | F10-M14 HydrophobicContact CD1-CE 4.24Å; F10-M14 HydrophobicContact CD1-CG 3.93Å; F10-M14 HydrophobicContact CD1-SD 4.42Å; F10-M14 HydrophobicContact CE1-CE 4.15Å; F10-M14 HydrophobicContact CE1-CG 3.93Å; F10-M14 HydrophobicContact CE1-SD 3.99Å; F10-M14 WeakPolarHBondContact O-CB 3.29Å; F10-M14 WeakPolarHBondContact O-CG 3.24Å; F10-M14 PolarHBondContact O-N 3.38Å; M14-I16 PolarHBondContact O-N 3.01Å; M14-T17 WeakPolarHBondContact CA-OG1 3.23Å; M14-T17 PolarHBondContact O-N 3.09Å; M14-T17 PolarHBondContact O-OG1 3.49Å; M14-I18 WeakPolarHBondContact O-CB 3.46Å; M14-I18 WeakPolarHBondContact O-CD1 3.37Å; M14-I18 VanDerWaalsContact O-CG1 3.24Å; M14-I18 WeakPolarHBondContact O-CG1 3.34Å; M14-I18 PolarHBondContact O-N 3.06Å |
| 15 | N | 70.9 | Confident | 76.3 | Confident | 92 Ų | 92 | 95 Ų | 95 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 180 | -160.1 | 33.3 | 0 | 0 | 0 | 112.3 | H11 Y12 N19 | H11-N15 VanDerWaalsContact O-CB 3.23Å; H11-N15 WeakPolarHBondContact O-CB 3.36Å; H11-N15 PolarHBondContact O-N 3.44Å; Y12-N15 PolarHBondContact O-N 3.29Å; N15-N19 WeakPolarHBondContact O-CB 3.46Å; N15-N19 VanDerWaalsContact O-CG 3.26Å; N15-N19 PolarHBondContact O-N 3.08Å; N15-N19 VanDerWaalsContact O-N 3.08Å; N15-N19 PolarHBondContact O-ND2 2.73Å |
| 16 | I | 74 | Confident | 76.4 | Confident | 71 Ų | 71 | 96 Ų | 96 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 174.1 | -68.5 | 165.9 | 0 | 0 | 0 | 110.5 | Y12 M14 I18 N19 D20 | Y12-I16 HydrophobicContact CD1-CD1 3.6Å; Y12-I16 HydrophobicContact CE1-CD1 3.32Å; Y12-I16 HydrophobicContact CE1-CG1 4.38Å; Y12-I16 HydrophobicContact CG-CD1 4.4Å; Y12-I16 WeakPolarHBondContact O-CG1 3.35Å; Y12-I16 PolarHBondContact O-N 3.38Å; M14-I16 PolarHBondContact O-N 3.01Å; I16-I18 VanDerWaalsContact C-N 3.34Å; I16-I18 PolarHBondContact O-N 3.35Å; I16-N19 PolarHBondContact O-N 3.03Å; I16-D20 PolarHBondContact O-N 3Å |
| 17 | T | 77.9 | Confident | 76.8 | Confident | 87 Ų | 87 | 99.3 Ų | 99.3 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | -177.9 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | S13 M14 S21 | S13-T17 WeakPolarHBondContact O-CG2 3.48Å; S13-T17 PolarHBondContact O-N 2.94Å; S13-T17 VanDerWaalsContact O-N 3.14Å; S13-T17 PolarHBondContact O-OG1 3.14Å; S13-T17 VanDerWaalsContact O-OG1 3.09Å; M14-T17 WeakPolarHBondContact CA-OG1 3.23Å; M14-T17 PolarHBondContact O-N 3.09Å; M14-T17 PolarHBondContact O-OG1 3.49Å; T17-S21 WeakPolarHBondContact O-CB 3.32Å; T17-S21 PolarHBondContact O-N 3.43Å; T17-S21 PolarHBondContact O-OG 3.43Å |
| 18 | I | 77.5 | Confident | 77 | Confident | 83 Ų | 83 | 100.9 Ų | 100.9 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 175.9 | -67.9 | 167.3 | 0 | 0 | 0 | 110.4 | M14 I16 D20 S21 I22 | M14-I18 WeakPolarHBondContact O-CB 3.46Å; M14-I18 WeakPolarHBondContact O-CD1 3.37Å; M14-I18 VanDerWaalsContact O-CG1 3.24Å; M14-I18 WeakPolarHBondContact O-CG1 3.34Å; M14-I18 PolarHBondContact O-N 3.06Å; I16-I18 VanDerWaalsContact C-N 3.34Å; I16-I18 PolarHBondContact O-N 3.35Å; I18-D20 PolarHBondContact O-N 3.25Å; I18-S21 PolarHBondContact O-N 3.47Å; I18-S21 PolarHBondContact O-OG 2.97Å; I18-I22 HydrophobicContact CG2-CD1 3.58Å; I18-I22 HydrophobicContact CG2-CG1 4.26Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.29Å; I18-I22 PolarHBondContact O-N 2.89Å |
| 19 | N | 78.9 | Confident | 76.9 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 40% | 0.396 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | -179.6 | -74.6 | -20.2 | 0 | 0 | 0 | 112.8 | N15 I16 S21 I22 N23 | N15-N19 WeakPolarHBondContact O-CB 3.46Å; N15-N19 VanDerWaalsContact O-CG 3.26Å; N15-N19 PolarHBondContact O-N 3.08Å; N15-N19 VanDerWaalsContact O-N 3.08Å; N15-N19 PolarHBondContact O-ND2 2.73Å; I16-N19 PolarHBondContact O-N 3.03Å; N19-S21 VanDerWaalsContact C-N 3.34Å; N19-I22 PolarHBondContact O-N 3.24Å; N19-N23 WeakPolarHBondContact O-CB 3.31Å; N19-N23 PolarHBondContact O-N 2.93Å; N19-N23 PolarHBondContact O-ND2 3.28Å |
| 20 | D | 82.3 | Confident | 77.1 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 176.5 | -71.8 | -19.6 | 0 | 0 | 0 | 111.4 | I16 I18 N23 S24 | I16-D20 PolarHBondContact O-N 3Å; I18-D20 PolarHBondContact O-N 3.25Å; D20-N23 PolarHBondContact O-N 3.34Å; D20-S24 WeakPolarHBondContact O-CB 3.4Å; D20-S24 PolarHBondContact O-N 3.24Å |
| 21 | S | 82.5 | Confident | 77.5 | Confident | 56 Ų | 56 | 100 Ų | 100 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.4 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | T17 I18 N19 S24 I25 | T17-S21 WeakPolarHBondContact O-CB 3.32Å; T17-S21 PolarHBondContact O-N 3.43Å; T17-S21 PolarHBondContact O-OG 3.43Å; I18-S21 PolarHBondContact O-N 3.47Å; I18-S21 PolarHBondContact O-OG 2.97Å; N19-S21 VanDerWaalsContact C-N 3.34Å; S21-S24 PolarHBondContact O-N 2.97Å; S21-I25 VanDerWaalsContact O-CG1 3.32Å; S21-I25 WeakPolarHBondContact O-CG1 3.35Å; S21-I25 PolarHBondContact O-N 3.26Å |
| 22 | I | 82.9 | Confident | 78 | Confident | 77 Ų | 77 | 98.3 Ų | 98.3 | 40% | 0.395 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 176.7 | -69.4 | 170.7 | 0 | 0 | 0 | 110.2 | I18 N19 S24 I25 I26 | I18-I22 HydrophobicContact CG2-CD1 3.58Å; I18-I22 HydrophobicContact CG2-CG1 4.26Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.29Å; I18-I22 PolarHBondContact O-N 2.89Å; N19-I22 PolarHBondContact O-N 3.24Å; I22-S24 VanDerWaalsContact C-N 3.29Å; I22-S24 PolarHBondContact O-N 3.41Å; I22-I25 PolarHBondContact O-N 2.93Å; I22-I26 HydrophobicContact CG2-CD1 3.66Å; I22-I26 HydrophobicContact CG2-CG1 4.31Å; I22-I26 VanDerWaalsContact O-CG1 3.29Å; I22-I26 WeakPolarHBondContact O-CG1 3.41Å; I22-I26 PolarHBondContact O-N 2.9Å |
| 23 | N | 82.7 | Confident | 78.1 | Confident | 99 Ų | 99 | 92.6 Ų | 92.6 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 178.3 | -73.8 | -26.8 | 0 | 0 | 0 | 112.2 | N19 D20 R27 | N19-N23 WeakPolarHBondContact O-CB 3.31Å; N19-N23 PolarHBondContact O-N 2.93Å; N19-N23 PolarHBondContact O-ND2 3.28Å; D20-N23 PolarHBondContact O-N 3.34Å; N23-R27 WeakPolarHBondContact O-CB 3.36Å; N23-R27 PolarHBondContact O-N 3.45Å |
| 24 | S | 81.7 | Confident | 78.7 | Confident | 76 Ų | 76 | 94 Ų | 94 | 53% | 0.531 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -46.6 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | D20 S21 I22 R27 H28 | D20-S24 WeakPolarHBondContact O-CB 3.4Å; D20-S24 PolarHBondContact O-N 3.24Å; S21-S24 PolarHBondContact O-N 2.97Å; I22-S24 VanDerWaalsContact C-N 3.29Å; I22-S24 PolarHBondContact O-N 3.41Å; S24-R27 PolarHBondContact O-N 3.19Å; S24-H28 PolarHBondContact O-N 3.37Å |
| 25 | I | 81.2 | Confident | 79.1 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 177.5 | -66.8 | 164.7 | 0 | 0 | 0 | 111 | S21 I22 R27 H28 F29 | S21-I25 VanDerWaalsContact O-CG1 3.32Å; S21-I25 WeakPolarHBondContact O-CG1 3.35Å; S21-I25 PolarHBondContact O-N 3.26Å; I22-I25 PolarHBondContact O-N 2.93Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 3.38Å; I25-H28 PolarHBondContact O-N 3.2Å; I25-F29 WeakPolarHBondContact O-CB 3.45Å; I25-F29 PolarHBondContact O-N 3.47Å |
| 26 | I | 78.8 | Confident | 79.3 | Confident | 95 Ų | 95 | 96.2 Ų | 96.2 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 177 | -68.1 | 168.7 | 0 | 0 | 0 | 110.3 | I22 H28 F29 L30 | I22-I26 HydrophobicContact CG2-CD1 3.66Å; I22-I26 HydrophobicContact CG2-CG1 4.31Å; I22-I26 VanDerWaalsContact O-CG1 3.29Å; I22-I26 WeakPolarHBondContact O-CG1 3.41Å; I22-I26 PolarHBondContact O-N 2.9Å; I26-H28 PolarHBondContact O-N 2.96Å; I26-F29 PolarHBondContact O-N 3.38Å; I26-L30 WeakPolarHBondContact O-CB 3.29Å; I26-L30 PolarHBondContact O-N 3.49Å |
| 27 | R | 84.1 | Confident | 79.3 | Confident | 178 Ų | 178 | 97.5 Ų | 97.5 | 67% | 0.672 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -46.2 | 176.4 | -177.5 | 179.1 | -67.5 | -168.4 | -0.9 | 111.6 | N23 S24 I25 F29 L30 E31 | N23-R27 WeakPolarHBondContact O-CB 3.36Å; N23-R27 PolarHBondContact O-N 3.45Å; S24-R27 PolarHBondContact O-N 3.19Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 3.38Å; R27-F29 PolarHBondContact O-N 3.36Å; R27-L30 PolarHBondContact O-N 3.45Å; R27-E31 WeakPolarHBondContact CG-OE1 3.45Å; R27-E31 WeakPolarHBondContact O-CG 3.24Å; R27-E31 PolarHBondContact O-N 3.44Å |
| 28 | H | 81.1 | Confident | 79.5 | Confident | 115 Ų | 115 | 97.8 Ų | 97.8 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 179.8 | -129.5 | 50.2 | 0 | 0 | 0 | 112.2 | S24 I25 I26 L30 E31 I32 | S24-H28 PolarHBondContact O-N 3.37Å; I25-H28 PolarHBondContact O-N 3.2Å; I26-H28 PolarHBondContact O-N 2.96Å; H28-L30 VanDerWaalsContact C-N 3.31Å; H28-L30 PolarHBondContact O-N 2.99Å; H28-E31 IonicContact CE1-OE2 3.97Å; H28-E31 IonicContact ND1-OE2 3.37Å; H28-E31 PolarHBondContact ND1-OE2 2.9Å; H28-E31 PolarHBondContact O-N 2.93Å; H28-I32 VanDerWaalsContact O-CG1 3.29Å; H28-I32 WeakPolarHBondContact O-CG1 3.3Å; H28-I32 PolarHBondContact O-N 3Å |
| 29 | F | 76.3 | Confident | 79.7 | Confident | 147 Ų | 147 | 98.6 Ų | 98.6 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.2 | -38.9 | 174.7 | -167.5 | -94.9 | 0 | 0 | 0 | 111.8 | I25 I26 R27 T33 | I25-F29 WeakPolarHBondContact O-CB 3.45Å; I25-F29 PolarHBondContact O-N 3.47Å; I26-F29 PolarHBondContact O-N 3.38Å; R27-F29 PolarHBondContact O-N 3.36Å; F29-T33 HydrophobicContact CD1-CG2 4.16Å; F29-T33 HydrophobicContact CE1-CG2 3.86Å; F29-T33 HydrophobicContact CZ-CG2 4.32Å; F29-T33 WeakPolarHBondContact O-CG2 3.38Å; F29-T33 PolarHBondContact O-N 3Å; F29-T33 PolarHBondContact O-OG1 3.25Å |
| 30 | L | 77.6 | Confident | 79.8 | Confident | 94 Ų | 94 | 99.4 Ų | 99.4 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 177.2 | -154.4 | 151.9 | 0 | 0 | 0 | 111.5 | I26 R27 H28 T33 I34 | I26-L30 WeakPolarHBondContact O-CB 3.29Å; I26-L30 PolarHBondContact O-N 3.49Å; R27-L30 PolarHBondContact O-N 3.45Å; H28-L30 VanDerWaalsContact C-N 3.31Å; H28-L30 PolarHBondContact O-N 2.99Å; L30-T33 WeakPolarHBondContact CA-OG1 3.35Å; L30-T33 PolarHBondContact O-N 2.9Å; L30-T33 PolarHBondContact O-OG1 3.46Å; L30-I34 HydrophobicContact CD2-CD1 3.41Å; L30-I34 VanDerWaalsContact CD2-CD1 3.41Å; L30-I34 HydrophobicContact CD2-CG1 4.1Å; L30-I34 VanDerWaalsContact O-CG1 3.3Å; L30-I34 WeakPolarHBondContact O-CG1 3.42Å; L30-I34 PolarHBondContact O-N 2.88Å |
| 31 | E | 79.1 | Confident | 80.1 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 174.3 | -74 | 168.4 | -177.7 | 0 | 0 | 112.1 | R27 H28 I34 F35 | R27-E31 WeakPolarHBondContact CG-OE1 3.45Å; R27-E31 WeakPolarHBondContact O-CG 3.24Å; R27-E31 PolarHBondContact O-N 3.44Å; H28-E31 IonicContact CE1-OE2 3.97Å; H28-E31 IonicContact ND1-OE2 3.37Å; H28-E31 PolarHBondContact ND1-OE2 2.9Å; H28-E31 PolarHBondContact O-N 2.93Å; E31-I34 PolarHBondContact O-N 3.27Å; E31-F35 WeakPolarHBondContact O-CB 3.5Å; E31-F35 PolarHBondContact O-N 2.9Å |
| 32 | I | 77.9 | Confident | 80.2 | Confident | 87 Ų | 87 | 100.7 Ų | 100.7 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 178 | -67.8 | 165.4 | 0 | 0 | 0 | 110.7 | H28 F35 I36 | H28-I32 VanDerWaalsContact O-CG1 3.29Å; H28-I32 WeakPolarHBondContact O-CG1 3.3Å; H28-I32 PolarHBondContact O-N 3Å; I32-F35 PolarHBondContact O-N 3.38Å; I32-I36 HydrophobicContact CG2-CD1 3.6Å; I32-I36 HydrophobicContact CG2-CG1 4.27Å; I32-I36 WeakPolarHBondContact O-CB 3.4Å; I32-I36 VanDerWaalsContact O-CG1 3.24Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.3Å |
| 33 | T | 75.6 | Confident | 80.5 | Confident | 52 Ų | 52 | 100.2 Ų | 100.2 | 32% | 0.319 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 178.6 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | F29 L30 N37 | F29-T33 HydrophobicContact CD1-CG2 4.16Å; F29-T33 HydrophobicContact CE1-CG2 3.86Å; F29-T33 HydrophobicContact CZ-CG2 4.32Å; F29-T33 WeakPolarHBondContact O-CG2 3.38Å; F29-T33 PolarHBondContact O-N 3Å; F29-T33 PolarHBondContact O-OG1 3.25Å; L30-T33 WeakPolarHBondContact CA-OG1 3.35Å; L30-T33 PolarHBondContact O-N 2.9Å; L30-T33 PolarHBondContact O-OG1 3.46Å; T33-N37 WeakPolarHBondContact O-CB 3.35Å; T33-N37 PolarHBondContact O-N 2.91Å |
| 34 | I | 81.4 | Confident | 80.6 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 171.8 | -70.4 | 174.4 | 0 | 0 | 0 | 110.7 | L30 E31 I36 N37 I38 | L30-I34 HydrophobicContact CD2-CD1 3.41Å; L30-I34 VanDerWaalsContact CD2-CD1 3.41Å; L30-I34 HydrophobicContact CD2-CG1 4.1Å; L30-I34 VanDerWaalsContact O-CG1 3.3Å; L30-I34 WeakPolarHBondContact O-CG1 3.42Å; L30-I34 PolarHBondContact O-N 2.88Å; E31-I34 PolarHBondContact O-N 3.27Å; I34-I36 PolarHBondContact O-N 3.49Å; I34-N37 PolarHBondContact O-N 2.97Å; I34-I38 HydrophobicContact CG2-CD1 3.64Å; I34-I38 HydrophobicContact CG2-CG1 4.33Å; I34-I38 WeakPolarHBondContact O-CG1 3.35Å; I34-I38 PolarHBondContact O-N 2.97Å |
| 35 | F | 76.8 | Confident | 80.8 | Confident | 146 Ų | 146 | 101.6 Ų | 101.6 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 180 | -176.3 | -95.6 | 0 | 0 | 0 | 112 | E31 I32 I38 N39 | E31-F35 WeakPolarHBondContact O-CB 3.5Å; E31-F35 PolarHBondContact O-N 2.9Å; I32-F35 PolarHBondContact O-N 3.38Å; F35-I38 PolarHBondContact O-N 3.07Å; F35-N39 WeakPolarHBondContact O-CB 3.32Å; F35-N39 PolarHBondContact O-N 3.45Å |
| 36 | I | 75.8 | Confident | 81 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 43% | 0.431 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 175.8 | -68.6 | 168.9 | 0 | 0 | 0 | 110.7 | I32 I34 I38 N39 I40 | I32-I36 HydrophobicContact CG2-CD1 3.6Å; I32-I36 HydrophobicContact CG2-CG1 4.27Å; I32-I36 WeakPolarHBondContact O-CB 3.4Å; I32-I36 VanDerWaalsContact O-CG1 3.24Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.3Å; I34-I36 PolarHBondContact O-N 3.49Å; I36-I38 PolarHBondContact O-N 2.73Å; I36-N39 PolarHBondContact O-N 3.23Å; I36-I40 HydrophobicContact CG2-CD1 3.62Å; I36-I40 HydrophobicContact CG2-CG1 4.37Å; I36-I40 VanDerWaalsContact O-CG1 3.32Å; I36-I40 WeakPolarHBondContact O-CG1 3.42Å; I36-I40 PolarHBondContact O-N 2.99Å |
| 37 | N | 72.9 | Confident | 81.4 | Confident | 98 Ų | 98 | 103.6 Ų | 103.6 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 179.9 | -82.4 | -16 | 0 | 0 | 0 | 112.9 | T33 I34 N39 N41 | T33-N37 WeakPolarHBondContact O-CB 3.35Å; T33-N37 PolarHBondContact O-N 2.91Å; I34-N37 PolarHBondContact O-N 2.97Å; N37-N39 VanDerWaalsContact C-N 3.35Å; N37-N41 WeakPolarHBondContact O-CB 3.34Å; N37-N41 VanDerWaalsContact O-CG 3.24Å; N37-N41 PolarHBondContact O-N 2.94Å; N37-N41 PolarHBondContact O-ND2 3.27Å |
| 38 | I | 83.3 | Confident | 81.3 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.6 | -67.5 | 169.2 | 0 | 0 | 0 | 110.4 | I34 F35 I36 N41 N42 | I34-I38 HydrophobicContact CG2-CD1 3.64Å; I34-I38 HydrophobicContact CG2-CG1 4.33Å; I34-I38 WeakPolarHBondContact O-CG1 3.35Å; I34-I38 PolarHBondContact O-N 2.97Å; F35-I38 PolarHBondContact O-N 3.07Å; I36-I38 PolarHBondContact O-N 2.73Å; I38-N41 PolarHBondContact O-N 3.04Å; I38-N42 WeakPolarHBondContact O-CB 3.26Å; I38-N42 VanDerWaalsContact O-CG 3.24Å; I38-N42 PolarHBondContact O-N 3.43Å |
| 39 | N | 80.7 | Confident | 81.7 | Confident | 100 Ų | 100 | 99.1 Ų | 99.1 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | -178.9 | -165.3 | 50.5 | 0 | 0 | 0 | 112.5 | F35 I36 N37 N42 D43 | F35-N39 WeakPolarHBondContact O-CB 3.32Å; F35-N39 PolarHBondContact O-N 3.45Å; I36-N39 PolarHBondContact O-N 3.23Å; N37-N39 VanDerWaalsContact C-N 3.35Å; N39-N42 PolarHBondContact O-N 3.04Å; N39-D43 PolarHBondContact O-N 3.4Å |
| 40 | I | 81.8 | Confident | 82.3 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 176.2 | -66.6 | 168.9 | 0 | 0 | 0 | 110.6 | I36 N42 D43 V44 | I36-I40 HydrophobicContact CG2-CD1 3.62Å; I36-I40 HydrophobicContact CG2-CG1 4.37Å; I36-I40 VanDerWaalsContact O-CG1 3.32Å; I36-I40 WeakPolarHBondContact O-CG1 3.42Å; I36-I40 PolarHBondContact O-N 2.99Å; I40-N42 VanDerWaalsContact C-N 3.3Å; I40-N42 PolarHBondContact O-N 3.49Å; I40-D43 PolarHBondContact O-N 2.93Å; I40-V44 HydrophobicContact CG2-CG2 4.36Å; I40-V44 VanDerWaalsContact O-CG2 3.31Å; I40-V44 WeakPolarHBondContact O-CG2 3.38Å; I40-V44 PolarHBondContact O-N 3.02Å |
| 41 | N | 87.1 | Confident | 82.9 | Confident | 109 Ų | 109 | 94.1 Ų | 94.1 | 58% | 0.583 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.7 | -38.4 | 178.7 | -74.2 | -13.3 | 0 | 0 | 0 | 112 | N37 I38 M45 | N37-N41 WeakPolarHBondContact O-CB 3.34Å; N37-N41 VanDerWaalsContact O-CG 3.24Å; N37-N41 PolarHBondContact O-N 2.94Å; N37-N41 PolarHBondContact O-ND2 3.27Å; I38-N41 PolarHBondContact O-N 3.04Å; N41-M45 VanDerWaalsContact O-CB 3.26Å; N41-M45 WeakPolarHBondContact O-CB 3.36Å; N41-M45 PolarHBondContact O-N 2.91Å |
| 42 | N | 85.5 | Confident | 83.3 | Confident | 74 Ų | 74 | 92.6 Ų | 92.6 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 176.6 | -73.2 | -10.8 | 0 | 0 | 0 | 112.3 | I38 N39 I40 M45 I46 | I38-N42 WeakPolarHBondContact O-CB 3.26Å; I38-N42 VanDerWaalsContact O-CG 3.24Å; I38-N42 PolarHBondContact O-N 3.43Å; N39-N42 PolarHBondContact O-N 3.04Å; I40-N42 VanDerWaalsContact C-N 3.3Å; I40-N42 PolarHBondContact O-N 3.49Å; N42-M45 PolarHBondContact O-N 3.4Å; N42-I46 WeakPolarHBondContact O-CD1 3.24Å; N42-I46 VanDerWaalsContact O-CG1 3.24Å; N42-I46 WeakPolarHBondContact O-CG1 3.48Å; N42-I46 PolarHBondContact O-N 2.96Å |
| 43 | D | 88.2 | Confident | 83.9 | Confident | 67 Ų | 67 | 93 Ų | 93 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.5 | -178.2 | 34.4 | 0 | 0 | 0 | 111.5 | N39 I40 M45 I46 R47 | N39-D43 PolarHBondContact O-N 3.4Å; I40-D43 PolarHBondContact O-N 2.93Å; D43-M45 VanDerWaalsContact C-N 3.34Å; D43-M45 PolarHBondContact O-N 3.28Å; D43-I46 PolarHBondContact O-N 3.43Å; D43-R47 WeakPolarHBondContact O-CG 3.42Å; D43-R47 PolarHBondContact O-N 3.3Å; D43-R47 IonicContact OD1-CZ 3.61Å; D43-R47 IonicContact OD1-NE 3.23Å; D43-R47 PolarHBondContact OD1-NE 2.99Å; D43-R47 IonicContact OD1-NH2 3.45Å; D43-R47 PolarHBondContact OD1-NH2 2.94Å; D43-R47 IonicContact OD2-CZ 3.15Å; D43-R47 IonicContact OD2-NE 2.96Å; D43-R47 PolarHBondContact OD2-NE 2.98Å; D43-R47 IonicContact OD2-NH2 2.73Å; D43-R47 PolarHBondContact OD2-NH2 2.97Å |
| 44 | V | 85.1 | Confident | 84.6 | Confident | 89 Ų | 89 | 95.4 Ų | 95.4 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 176.3 | 175 | 0 | 0 | 0 | 0 | 111.2 | I40 R47 F48 | I40-V44 HydrophobicContact CG2-CG2 4.36Å; I40-V44 VanDerWaalsContact O-CG2 3.31Å; I40-V44 WeakPolarHBondContact O-CG2 3.38Å; I40-V44 PolarHBondContact O-N 3.02Å; V44-R47 PolarHBondContact O-N 2.84Å; V44-F48 WeakPolarHBondContact O-CB 3.31Å; V44-F48 PolarHBondContact O-N 3.36Å |
| 45 | M | 86.4 | Confident | 85.1 | Confident | 114 Ų | 114 | 96 Ų | 96 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 177.3 | -172.5 | 174.6 | 69 | 0 | 0 | 112.3 | N41 N42 D43 F48 T49 | N41-M45 VanDerWaalsContact O-CB 3.26Å; N41-M45 WeakPolarHBondContact O-CB 3.36Å; N41-M45 PolarHBondContact O-N 2.91Å; N42-M45 PolarHBondContact O-N 3.4Å; D43-M45 VanDerWaalsContact C-N 3.34Å; D43-M45 PolarHBondContact O-N 3.28Å; M45-F48 PolarHBondContact O-N 2.99Å; M45-T49 WeakPolarHBondContact O-CG2 3.37Å; M45-T49 PolarHBondContact O-N 3.45Å; M45-T49 PolarHBondContact O-OG1 3.43Å |
| 46 | I | 86.1 | Confident | 85.9 | Confident | 99 Ų | 99 | 93.2 Ų | 93.2 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 176.5 | -67.8 | 163.2 | 0 | 0 | 0 | 110.7 | N42 D43 F48 T49 T50 | N42-I46 WeakPolarHBondContact O-CD1 3.24Å; N42-I46 VanDerWaalsContact O-CG1 3.24Å; N42-I46 WeakPolarHBondContact O-CG1 3.48Å; N42-I46 PolarHBondContact O-N 2.96Å; D43-I46 PolarHBondContact O-N 3.43Å; I46-F48 VanDerWaalsContact C-N 3.35Å; I46-F48 PolarHBondContact O-N 2.93Å; I46-T49 WeakPolarHBondContact CA-OG1 3.49Å; I46-T49 PolarHBondContact O-N 3.05Å; I46-T49 PolarHBondContact O-OG1 3.47Å; I46-T50 HydrophobicContact CG2-CG2 4.46Å; I46-T50 WeakPolarHBondContact O-CB 3.43Å; I46-T50 WeakPolarHBondContact O-CG2 3.38Å; I46-T50 PolarHBondContact O-N 2.94Å; I46-T50 PolarHBondContact O-OG1 2.86Å |
| 47 | R | 87.2 | Confident | 86.7 | Confident | 156 Ų | 156 | 93.4 Ų | 93.4 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 175.8 | -69.4 | -179.9 | -166.5 | -167.7 | 4.7 | 112.5 | D43 V44 T50 T51 | D43-R47 WeakPolarHBondContact O-CG 3.42Å; D43-R47 PolarHBondContact O-N 3.3Å; D43-R47 IonicContact OD1-CZ 3.61Å; D43-R47 IonicContact OD1-NE 3.23Å; D43-R47 PolarHBondContact OD1-NE 2.99Å; D43-R47 IonicContact OD1-NH2 3.45Å; D43-R47 PolarHBondContact OD1-NH2 2.94Å; D43-R47 IonicContact OD2-CZ 3.15Å; D43-R47 IonicContact OD2-NE 2.96Å; D43-R47 PolarHBondContact OD2-NE 2.98Å; D43-R47 IonicContact OD2-NH2 2.73Å; D43-R47 PolarHBondContact OD2-NH2 2.97Å; V44-R47 PolarHBondContact O-N 2.84Å; R47-T50 WeakPolarHBondContact CA-OG1 3.49Å; R47-T50 PolarHBondContact O-OG1 3.09Å; R47-T50 VanDerWaalsContact O-OG1 3.05Å; R47-T51 WeakPolarHBondContact O-CB 3.31Å; R47-T51 VanDerWaalsContact O-CG2 3.31Å; R47-T51 WeakPolarHBondContact O-CG2 3.36Å; R47-T51 PolarHBondContact O-N 3.11Å; R47-T51 VanDerWaalsContact O-N 3.09Å; R47-T51 PolarHBondContact O-OG1 2.98Å |
| 48 | F | 81.9 | Confident | 87.7 | Confident | 134 Ų | 134 | 92.2 Ų | 92.2 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.9 | -43.8 | 176.9 | -173.3 | -105.5 | 0 | 0 | 0 | 112.1 | V44 M45 I46 T51 I52 | V44-F48 WeakPolarHBondContact O-CB 3.31Å; V44-F48 PolarHBondContact O-N 3.36Å; M45-F48 PolarHBondContact O-N 2.99Å; I46-F48 VanDerWaalsContact C-N 3.35Å; I46-F48 PolarHBondContact O-N 2.93Å; F48-T51 WeakPolarHBondContact CA-OG1 3.28Å; F48-T51 PolarHBondContact O-OG1 3.33Å; F48-I52 HydrophobicContact CD1-CD1 3.64Å; F48-I52 HydrophobicContact CE1-CD1 3.2Å; F48-I52 HydrophobicContact CE1-CG1 4.41Å; F48-I52 HydrophobicContact CE2-CD1 4.15Å; F48-I52 HydrophobicContact CG-CD1 4.3Å; F48-I52 HydrophobicContact CZ-CD1 3.5Å; F48-I52 VanDerWaalsContact CZ-CD1 3.5Å; F48-I52 HydrophobicContact CZ-CG1 4.45Å; F48-I52 WeakPolarHBondContact O-CG1 3.35Å; F48-I52 PolarHBondContact O-N 3.41Å; F48-I52 VanDerWaalsContact O-N 3.11Å |
| 49 | T | 89.5 | Confident | 88.1 | Confident | 64 Ų | 64 | 92 Ų | 92 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 178.4 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | M45 I46 I52 I53 | M45-T49 WeakPolarHBondContact O-CG2 3.37Å; M45-T49 PolarHBondContact O-N 3.45Å; M45-T49 PolarHBondContact O-OG1 3.43Å; I46-T49 WeakPolarHBondContact CA-OG1 3.49Å; I46-T49 PolarHBondContact O-N 3.05Å; I46-T49 PolarHBondContact O-OG1 3.47Å; T49-I52 PolarHBondContact O-N 2.96Å; T49-I53 WeakPolarHBondContact O-CD1 3.35Å; T49-I53 VanDerWaalsContact O-CG1 3.24Å; T49-I53 WeakPolarHBondContact O-CG1 3.24Å; T49-I53 PolarHBondContact O-N 3.44Å |
| 50 | T | 88.4 | Confident | 88.7 | Confident | 65 Ų | 65 | 91.6 Ų | 91.6 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.2 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | I46 R47 I53 I54 | I46-T50 HydrophobicContact CG2-CG2 4.46Å; I46-T50 WeakPolarHBondContact O-CB 3.43Å; I46-T50 WeakPolarHBondContact O-CG2 3.38Å; I46-T50 PolarHBondContact O-N 2.94Å; I46-T50 PolarHBondContact O-OG1 2.86Å; R47-T50 WeakPolarHBondContact CA-OG1 3.49Å; R47-T50 PolarHBondContact O-OG1 3.09Å; R47-T50 VanDerWaalsContact O-OG1 3.05Å; T50-I53 PolarHBondContact O-N 3.38Å; T50-I54 VanDerWaalsContact O-CG1 3.28Å; T50-I54 WeakPolarHBondContact O-CG1 3.34Å; T50-I54 PolarHBondContact O-N 2.9Å |
| 51 | T | 89.7 | Confident | 89.4 | Confident | 72 Ų | 72 | 91.7 Ų | 91.7 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.6 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | R47 F48 I54 I55 | R47-T51 WeakPolarHBondContact O-CB 3.31Å; R47-T51 VanDerWaalsContact O-CG2 3.31Å; R47-T51 WeakPolarHBondContact O-CG2 3.36Å; R47-T51 PolarHBondContact O-N 3.11Å; R47-T51 VanDerWaalsContact O-N 3.09Å; R47-T51 PolarHBondContact O-OG1 2.98Å; F48-T51 WeakPolarHBondContact CA-OG1 3.28Å; F48-T51 PolarHBondContact O-OG1 3.33Å; T51-I54 PolarHBondContact O-N 3.2Å; T51-I55 VanDerWaalsContact O-CG1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 3.48Å; T51-I55 PolarHBondContact O-N 2.97Å |
| 52 | I | 87.2 | Confident | 89.8 | Confident | 65 Ų | 65 | 90.7 Ų | 90.7 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 173.9 | -71 | 172 | 0 | 0 | 0 | 111.3 | F48 T49 I54 I55 I56 | F48-I52 HydrophobicContact CD1-CD1 3.64Å; F48-I52 HydrophobicContact CE1-CD1 3.2Å; F48-I52 HydrophobicContact CE1-CG1 4.41Å; F48-I52 HydrophobicContact CE2-CD1 4.15Å; F48-I52 HydrophobicContact CG-CD1 4.3Å; F48-I52 HydrophobicContact CZ-CD1 3.5Å; F48-I52 VanDerWaalsContact CZ-CD1 3.5Å; F48-I52 HydrophobicContact CZ-CG1 4.45Å; F48-I52 WeakPolarHBondContact O-CG1 3.35Å; F48-I52 PolarHBondContact O-N 3.41Å; F48-I52 VanDerWaalsContact O-N 3.11Å; T49-I52 PolarHBondContact O-N 2.96Å; I52-I54 VanDerWaalsContact C-N 3.32Å; I52-I54 PolarHBondContact O-N 2.99Å; I52-I55 PolarHBondContact O-N 2.93Å; I52-I56 HydrophobicContact CG2-CD1 3.73Å; I52-I56 HydrophobicContact CG2-CG1 4.35Å; I52-I56 WeakPolarHBondContact O-CG1 3.49Å; I52-I56 PolarHBondContact O-N 3.25Å |
| 53 | I | 90.7 | Very high | 90.2 | Very high | 95 Ų | 95 | 91.4 Ų | 91.4 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 178.3 | -70.1 | 164.4 | 0 | 0 | 0 | 110.5 | T49 T50 I55 I56 I57 | T49-I53 WeakPolarHBondContact O-CD1 3.35Å; T49-I53 VanDerWaalsContact O-CG1 3.24Å; T49-I53 WeakPolarHBondContact O-CG1 3.24Å; T49-I53 PolarHBondContact O-N 3.44Å; T50-I53 PolarHBondContact O-N 3.38Å; I53-I55 PolarHBondContact O-N 3.38Å; I53-I56 PolarHBondContact O-N 3.46Å; I53-I57 HydrophobicContact CG2-CD1 3.81Å; I53-I57 HydrophobicContact CG2-CG1 4.48Å; I53-I57 VanDerWaalsContact O-CG1 3.3Å; I53-I57 WeakPolarHBondContact O-CG1 3.3Å; I53-I57 PolarHBondContact O-N 3.46Å |
| 54 | I | 92 | Very high | 90.6 | Very high | 103 Ų | 103 | 91.6 Ų | 91.6 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 176.8 | -68 | 165 | 0 | 0 | 0 | 110.9 | T50 T51 I52 I56 I57 V58 | T50-I54 VanDerWaalsContact O-CG1 3.28Å; T50-I54 WeakPolarHBondContact O-CG1 3.34Å; T50-I54 PolarHBondContact O-N 2.9Å; T51-I54 PolarHBondContact O-N 3.2Å; I52-I54 VanDerWaalsContact C-N 3.32Å; I52-I54 PolarHBondContact O-N 2.99Å; I54-I56 VanDerWaalsContact C-N 3.34Å; I54-I56 PolarHBondContact O-N 3.48Å; I54-I57 PolarHBondContact O-N 3.42Å; I54-V58 HydrophobicContact CG2-CG2 4.46Å; I54-V58 WeakPolarHBondContact O-CG2 3.32Å; I54-V58 PolarHBondContact O-N 3.34Å |
| 55 | I | 91.7 | Very high | 91.1 | Very high | 99 Ų | 99 | 91.6 Ų | 91.6 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 177.6 | -69.1 | 165.2 | 0 | 0 | 0 | 110.9 | T51 I52 I53 I57 V58 I59 | T51-I55 VanDerWaalsContact O-CG1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 3.48Å; T51-I55 PolarHBondContact O-N 2.97Å; I52-I55 PolarHBondContact O-N 2.93Å; I53-I55 PolarHBondContact O-N 3.38Å; I55-I57 PolarHBondContact O-N 3Å; I55-V58 PolarHBondContact O-N 3.28Å; I55-I59 HydrophobicContact CG2-CD1 3.86Å; I55-I59 WeakPolarHBondContact O-CG1 3.33Å; I55-I59 PolarHBondContact O-N 2.99Å |
| 56 | I | 91.9 | Very high | 91.5 | Very high | 86 Ų | 86 | 90.3 Ų | 90.3 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.5 | -68.3 | 167.9 | 0 | 0 | 0 | 110.8 | I52 I53 I54 V58 I59 I60 | I52-I56 HydrophobicContact CG2-CD1 3.73Å; I52-I56 HydrophobicContact CG2-CG1 4.35Å; I52-I56 WeakPolarHBondContact O-CG1 3.49Å; I52-I56 PolarHBondContact O-N 3.25Å; I53-I56 PolarHBondContact O-N 3.46Å; I54-I56 VanDerWaalsContact C-N 3.34Å; I54-I56 PolarHBondContact O-N 3.48Å; I56-V58 VanDerWaalsContact C-N 3.35Å; I56-V58 PolarHBondContact O-N 3.3Å; I56-I59 PolarHBondContact O-N 3.3Å; I56-I60 HydrophobicContact CG2-CD1 3.84Å; I56-I60 HydrophobicContact CG2-CG1 4.49Å; I56-I60 WeakPolarHBondContact O-CG1 3.3Å; I56-I60 PolarHBondContact O-N 3.28Å |
| 57 | I | 93.8 | Very high | 92 | Very high | 89 Ų | 89 | 89.8 Ų | 89.8 | 46% | 0.456 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 177.6 | -69.2 | 166.2 | 0 | 0 | 0 | 110.8 | I53 I54 I55 I59 I60 I61 | I53-I57 HydrophobicContact CG2-CD1 3.81Å; I53-I57 HydrophobicContact CG2-CG1 4.48Å; I53-I57 VanDerWaalsContact O-CG1 3.3Å; I53-I57 WeakPolarHBondContact O-CG1 3.3Å; I53-I57 PolarHBondContact O-N 3.46Å; I54-I57 PolarHBondContact O-N 3.42Å; I55-I57 PolarHBondContact O-N 3Å; I57-I59 PolarHBondContact O-N 3.48Å; I57-I60 PolarHBondContact O-N 2.97Å; I57-I61 HydrophobicContact CG2-CD1 3.84Å; I57-I61 WeakPolarHBondContact O-CG1 3.33Å; I57-I61 PolarHBondContact O-N 2.99Å |
| 58 | V | 92.8 | Very high | 92.5 | Very high | 73 Ų | 73 | 86.6 Ų | 86.6 | 44% | 0.442 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 177.8 | 172 | 0 | 0 | 0 | 0 | 111.3 | I54 I55 I56 I60 I61 I62 | I54-V58 HydrophobicContact CG2-CG2 4.46Å; I54-V58 WeakPolarHBondContact O-CG2 3.32Å; I54-V58 PolarHBondContact O-N 3.34Å; I55-V58 PolarHBondContact O-N 3.28Å; I56-V58 VanDerWaalsContact C-N 3.35Å; I56-V58 PolarHBondContact O-N 3.3Å; V58-I60 PolarHBondContact O-N 3.3Å; V58-I61 PolarHBondContact O-N 3.45Å; V58-I62 HydrophobicContact CG1-CD1 3.91Å; V58-I62 WeakPolarHBondContact O-CG1 3.34Å; V58-I62 PolarHBondContact O-N 3.02Å |
| 59 | I | 92.8 | Very high | 93.2 | Very high | 87 Ų | 87 | 84.3 Ų | 84.3 | 45% | 0.446 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.8 | -68.7 | 166.3 | 0 | 0 | 0 | 111.1 | I55 I56 I57 I61 I62 I63 | I55-I59 HydrophobicContact CG2-CD1 3.86Å; I55-I59 WeakPolarHBondContact O-CG1 3.33Å; I55-I59 PolarHBondContact O-N 2.99Å; I56-I59 PolarHBondContact O-N 3.3Å; I57-I59 PolarHBondContact O-N 3.48Å; I59-I61 VanDerWaalsContact C-N 3.34Å; I59-I61 PolarHBondContact O-N 2.97Å; I59-I62 PolarHBondContact O-N 3.47Å; I59-I63 HydrophobicContact CG2-CD1 3.8Å; I59-I63 HydrophobicContact CG2-CG1 4.46Å; I59-I63 WeakPolarHBondContact O-CG1 3.33Å; I59-I63 PolarHBondContact O-N 3.27Å |
| 60 | I | 93.7 | Very high | 93.6 | Very high | 93 Ų | 93 | 85.4 Ų | 85.4 | 48% | 0.477 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.6 | -68.3 | 166.5 | 0 | 0 | 0 | 110.6 | I56 I57 V58 I62 I63 V64 | I56-I60 HydrophobicContact CG2-CD1 3.84Å; I56-I60 HydrophobicContact CG2-CG1 4.49Å; I56-I60 WeakPolarHBondContact O-CG1 3.3Å; I56-I60 PolarHBondContact O-N 3.28Å; I57-I60 PolarHBondContact O-N 2.97Å; V58-I60 PolarHBondContact O-N 3.3Å; I60-I62 VanDerWaalsContact C-N 3.34Å; I60-I62 PolarHBondContact O-N 3.47Å; I60-I63 PolarHBondContact O-N 3.01Å; I60-V64 HydrophobicContact CG2-CG2 4.47Å; I60-V64 WeakPolarHBondContact O-CG2 3.33Å; I60-V64 PolarHBondContact O-N 3.31Å |
| 61 | I | 95.4 | Very high | 94 | Very high | 92 Ų | 92 | 87.2 Ų | 87.2 | 47% | 0.472 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 177.6 | -68.4 | 166.3 | 0 | 0 | 0 | 110.9 | I57 V58 I59 I63 V64 I65 | I57-I61 HydrophobicContact CG2-CD1 3.84Å; I57-I61 WeakPolarHBondContact O-CG1 3.33Å; I57-I61 PolarHBondContact O-N 2.99Å; V58-I61 PolarHBondContact O-N 3.45Å; I59-I61 VanDerWaalsContact C-N 3.34Å; I59-I61 PolarHBondContact O-N 2.97Å; I61-I63 PolarHBondContact O-N 3.26Å; I61-V64 PolarHBondContact O-N 3.44Å; I61-I65 HydrophobicContact CG2-CD1 3.88Å; I61-I65 WeakPolarHBondContact O-CG1 3.33Å; I61-I65 PolarHBondContact O-N 3.49Å |
| 62 | I | 95.1 | Very high | 94.3 | Very high | 89 Ų | 89 | 88.6 Ų | 88.6 | 46% | 0.456 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 177.6 | -68 | 165.8 | 0 | 0 | 0 | 110.9 | V58 I59 I60 V64 I65 I66 | V58-I62 HydrophobicContact CG1-CD1 3.91Å; V58-I62 WeakPolarHBondContact O-CG1 3.34Å; V58-I62 PolarHBondContact O-N 3.02Å; I59-I62 PolarHBondContact O-N 3.47Å; I60-I62 VanDerWaalsContact C-N 3.34Å; I60-I62 PolarHBondContact O-N 3.47Å; I62-V64 VanDerWaalsContact C-N 3.35Å; I62-V64 PolarHBondContact O-N 3Å; I62-I65 PolarHBondContact O-N 3.47Å; I62-I66 HydrophobicContact CG2-CD1 3.88Å; I62-I66 WeakPolarHBondContact O-CG1 3.35Å; I62-I66 PolarHBondContact O-N 3.46Å |
| 63 | I | 94.5 | Very high | 94.8 | Very high | 88 Ų | 88 | 89.7 Ų | 89.7 | 45% | 0.451 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 177.8 | -68.5 | 166.8 | 0 | 0 | 0 | 110.9 | I59 I60 I61 I65 I66 I67 | I59-I63 HydrophobicContact CG2-CD1 3.8Å; I59-I63 HydrophobicContact CG2-CG1 4.46Å; I59-I63 WeakPolarHBondContact O-CG1 3.33Å; I59-I63 PolarHBondContact O-N 3.27Å; I60-I63 PolarHBondContact O-N 3.01Å; I61-I63 PolarHBondContact O-N 3.26Å; I63-I65 PolarHBondContact O-N 3.28Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-I67 HydrophobicContact CG2-CD1 3.89Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.27Å |
| 64 | V | 96.1 | Very high | 95.2 | Very high | 72 Ų | 72 | 89.6 Ų | 89.6 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 177.7 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | I60 I61 I62 I66 I67 I68 | I60-V64 HydrophobicContact CG2-CG2 4.47Å; I60-V64 WeakPolarHBondContact O-CG2 3.33Å; I60-V64 PolarHBondContact O-N 3.31Å; I61-V64 PolarHBondContact O-N 3.44Å; I62-V64 VanDerWaalsContact C-N 3.35Å; I62-V64 PolarHBondContact O-N 3Å; V64-I66 PolarHBondContact O-N 3.26Å; V64-I67 PolarHBondContact O-N 3.46Å; V64-I68 HydrophobicContact CG1-CD1 3.94Å; V64-I68 WeakPolarHBondContact O-CG1 3.35Å; V64-I68 PolarHBondContact O-N 3.46Å |
| 65 | I | 96 | Very high | 95.4 | Very high | 88 Ų | 88 | 90.7 Ų | 90.7 | 45% | 0.451 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 176.6 | -68.1 | 166.3 | 0 | 0 | 0 | 111 | I61 I62 I63 I67 I68 I69 | I61-I65 HydrophobicContact CG2-CD1 3.88Å; I61-I65 WeakPolarHBondContact O-CG1 3.33Å; I61-I65 PolarHBondContact O-N 3.49Å; I62-I65 PolarHBondContact O-N 3.47Å; I63-I65 PolarHBondContact O-N 3.28Å; I65-I67 VanDerWaalsContact C-N 3.34Å; I65-I67 PolarHBondContact O-N 3.28Å; I65-I68 PolarHBondContact O-N 3.47Å; I65-I69 HydrophobicContact CG2-CD1 3.89Å; I65-I69 WeakPolarHBondContact O-CG1 3.34Å; I65-I69 PolarHBondContact O-N 3Å |
| 66 | I | 95.8 | Very high | 95.7 | Very high | 88 Ų | 88 | 89 Ų | 89 | 45% | 0.451 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 177.4 | -68.6 | 166.5 | 0 | 0 | 0 | 110.9 | I62 I63 V64 I68 I69 I70 | I62-I66 HydrophobicContact CG2-CD1 3.88Å; I62-I66 WeakPolarHBondContact O-CG1 3.35Å; I62-I66 PolarHBondContact O-N 3.46Å; I63-I66 PolarHBondContact O-N 2.98Å; V64-I66 PolarHBondContact O-N 3.26Å; I66-I68 PolarHBondContact O-N 3.26Å; I66-I69 PolarHBondContact O-N 3Å; I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 WeakPolarHBondContact O-CG1 3.35Å; I66-I70 PolarHBondContact O-N 3.05Å |
| 67 | I | 96.1 | Very high | 96 | Very high | 87 Ų | 87 | 89.8 Ų | 89.8 | 45% | 0.446 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.5 | -67.9 | 165.8 | 0 | 0 | 0 | 111 | I63 V64 I65 I69 I70 I71 | I63-I67 HydrophobicContact CG2-CD1 3.89Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.27Å; V64-I67 PolarHBondContact O-N 3.46Å; I65-I67 VanDerWaalsContact C-N 3.34Å; I65-I67 PolarHBondContact O-N 3.28Å; I67-I69 VanDerWaalsContact C-N 3.35Å; I67-I69 PolarHBondContact O-N 3Å; I67-I70 PolarHBondContact O-N 3Å; I67-I71 HydrophobicContact CG2-CD1 3.91Å; I67-I71 WeakPolarHBondContact O-CG1 3.38Å; I67-I71 PolarHBondContact O-N 3.05Å |
| 68 | I | 96.8 | Very high | 96.2 | Very high | 89 Ų | 89 | 89.7 Ų | 89.7 | 46% | 0.456 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 177.4 | -68 | 166.2 | 0 | 0 | 0 | 110.9 | V64 I65 I66 I70 I71 I72 | V64-I68 HydrophobicContact CG1-CD1 3.94Å; V64-I68 WeakPolarHBondContact O-CG1 3.35Å; V64-I68 PolarHBondContact O-N 3.46Å; I65-I68 PolarHBondContact O-N 3.47Å; I66-I68 PolarHBondContact O-N 3.26Å; I68-I70 VanDerWaalsContact C-N 3.35Å; I68-I70 PolarHBondContact O-N 3.01Å; I68-I71 PolarHBondContact O-N 3.45Å; I68-I72 HydrophobicContact CG2-CD1 3.95Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 3.28Å |
| 69 | I | 97.3 | Very high | 96.4 | Very high | 87 Ų | 87 | 89.9 Ų | 89.9 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.3 | -68.3 | 166.9 | 0 | 0 | 0 | 110.8 | I65 I66 I67 I71 I72 I73 | I65-I69 HydrophobicContact CG2-CD1 3.89Å; I65-I69 WeakPolarHBondContact O-CG1 3.34Å; I65-I69 PolarHBondContact O-N 3Å; I66-I69 PolarHBondContact O-N 3Å; I67-I69 VanDerWaalsContact C-N 3.35Å; I67-I69 PolarHBondContact O-N 3Å; I69-I71 VanDerWaalsContact C-N 3.34Å; I69-I71 PolarHBondContact O-N 3.38Å; I69-I72 PolarHBondContact O-N 2.95Å; I69-I73 HydrophobicContact CG2-CD1 3.87Å; I69-I73 HydrophobicContact CG2-CG1 4.5Å; I69-I73 WeakPolarHBondContact O-CG1 3.33Å; I69-I73 PolarHBondContact O-N 2.98Å |
| 70 | I | 96.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 90.4 Ų | 90.4 | 45% | 0.446 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 177.5 | -68.6 | 166.1 | 0 | 0 | 0 | 111 | I66 I67 I68 I72 I73 I74 | I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 WeakPolarHBondContact O-CG1 3.35Å; I66-I70 PolarHBondContact O-N 3.05Å; I67-I70 PolarHBondContact O-N 3Å; I68-I70 VanDerWaalsContact C-N 3.35Å; I68-I70 PolarHBondContact O-N 3.01Å; I70-I72 VanDerWaalsContact C-N 3.33Å; I70-I72 PolarHBondContact O-N 3.36Å; I70-I73 PolarHBondContact O-N 2.84Å; I70-I74 HydrophobicContact CG2-CD1 3.83Å; I70-I74 HydrophobicContact CG2-CG1 4.47Å; I70-I74 WeakPolarHBondContact O-CG1 3.35Å; I70-I74 PolarHBondContact O-N 3.39Å |
| 71 | I | 97 | Very high | 96.9 | Very high | 103 Ų | 103 | 92.3 Ų | 92.3 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 177.5 | -68.4 | 166.3 | 0 | 0 | 0 | 111 | I67 I68 I69 I74 F75 | I67-I71 HydrophobicContact CG2-CD1 3.91Å; I67-I71 WeakPolarHBondContact O-CG1 3.38Å; I67-I71 PolarHBondContact O-N 3.05Å; I68-I71 PolarHBondContact O-N 3.45Å; I69-I71 VanDerWaalsContact C-N 3.34Å; I69-I71 PolarHBondContact O-N 3.38Å; I71-I74 PolarHBondContact O-N 3.44Å; I71-F75 WeakPolarHBondContact O-CB 3.43Å; I71-F75 PolarHBondContact O-N 3.25Å |
| 72 | I | 97.4 | Very high | 97 | Very high | 100 Ų | 100 | 92 Ų | 92 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.4 | -67.2 | 166.5 | 0 | 0 | 0 | 111.1 | I68 I69 I70 F75 T76 | I68-I72 HydrophobicContact CG2-CD1 3.95Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 3.28Å; I69-I72 PolarHBondContact O-N 2.95Å; I70-I72 VanDerWaalsContact C-N 3.33Å; I70-I72 PolarHBondContact O-N 3.36Å; I72-F75 PolarHBondContact O-N 3.01Å; I72-T76 WeakPolarHBondContact O-CG2 3.34Å; I72-T76 PolarHBondContact O-N 3.45Å; I72-T76 PolarHBondContact O-OG1 3.27Å; I72-T76 VanDerWaalsContact O-OG1 3.05Å |
| 73 | I | 97.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 90.9 Ų | 90.9 | 45% | 0.451 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 176.8 | -67.3 | 167.1 | 0 | 0 | 0 | 110.8 | I69 I70 F75 T76 I77 | I69-I73 HydrophobicContact CG2-CD1 3.87Å; I69-I73 HydrophobicContact CG2-CG1 4.5Å; I69-I73 WeakPolarHBondContact O-CG1 3.33Å; I69-I73 PolarHBondContact O-N 2.98Å; I70-I73 PolarHBondContact O-N 2.84Å; I73-F75 VanDerWaalsContact C-N 3.34Å; I73-F75 PolarHBondContact O-N 3.26Å; I73-T76 WeakPolarHBondContact CA-OG1 3.35Å; I73-T76 PolarHBondContact O-N 2.96Å; I73-T76 PolarHBondContact O-OG1 3.3Å; I73-I77 HydrophobicContact CG2-CD1 3.95Å; I73-I77 WeakPolarHBondContact O-CG1 3.33Å; I73-I77 PolarHBondContact O-N 3.11Å; I73-I77 VanDerWaalsContact O-N 3.11Å |
| 74 | I | 97.6 | Very high | 97.3 | Very high | 93 Ų | 93 | 90.7 Ų | 90.7 | 48% | 0.477 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 177.8 | -67.9 | 167.5 | 0 | 0 | 0 | 110.7 | I70 I71 T76 I77 I78 | I70-I74 HydrophobicContact CG2-CD1 3.83Å; I70-I74 HydrophobicContact CG2-CG1 4.47Å; I70-I74 WeakPolarHBondContact O-CG1 3.35Å; I70-I74 PolarHBondContact O-N 3.39Å; I71-I74 PolarHBondContact O-N 3.44Å; I74-T76 PolarHBondContact O-N 3.44Å; I74-I77 PolarHBondContact O-N 3.03Å; I74-I78 HydrophobicContact CG2-CD1 3.92Å; I74-I78 WeakPolarHBondContact O-CG1 3.37Å; I74-I78 PolarHBondContact O-N 3.31Å; I74-I78 VanDerWaalsContact O-N 3.09Å |
| 75 | F | 97.8 | Very high | 97.4 | Very high | 126 Ų | 126 | 91 Ų | 91 | 55% | 0.553 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 179.6 | -176.3 | -106.8 | 0 | 0 | 0 | 112.5 | I71 I72 I73 I77 I78 I79 | I71-F75 WeakPolarHBondContact O-CB 3.43Å; I71-F75 PolarHBondContact O-N 3.25Å; I72-F75 PolarHBondContact O-N 3.01Å; I73-F75 VanDerWaalsContact C-N 3.34Å; I73-F75 PolarHBondContact O-N 3.26Å; F75-I77 PolarHBondContact O-N 3.09Å; F75-I78 PolarHBondContact O-N 3.27Å; F75-I79 HydrophobicContact CD1-CD1 3.74Å; F75-I79 HydrophobicContact CE1-CD1 3.26Å; F75-I79 HydrophobicContact CE1-CG1 4.3Å; F75-I79 HydrophobicContact CE2-CD1 4.43Å; F75-I79 HydrophobicContact CZ-CD1 3.66Å; F75-I79 HydrophobicContact CZ-CG1 4.37Å; F75-I79 PolarHBondContact O-N 3.48Å; F75-I79 VanDerWaalsContact O-N 3.09Å |
| 76 | T | 97.8 | Very high | 97.5 | Very high | 65 Ų | 65 | 91 Ų | 91 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 177.1 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | I72 I73 I74 I78 I79 I80 | I72-T76 WeakPolarHBondContact O-CG2 3.34Å; I72-T76 PolarHBondContact O-N 3.45Å; I72-T76 PolarHBondContact O-OG1 3.27Å; I72-T76 VanDerWaalsContact O-OG1 3.05Å; I73-T76 WeakPolarHBondContact CA-OG1 3.35Å; I73-T76 PolarHBondContact O-N 2.96Å; I73-T76 PolarHBondContact O-OG1 3.3Å; I74-T76 PolarHBondContact O-N 3.44Å; T76-I78 VanDerWaalsContact C-N 3.35Å; T76-I78 PolarHBondContact O-N 3.47Å; T76-I79 PolarHBondContact O-N 3.09Å; T76-I80 WeakPolarHBondContact O-CG1 3.34Å; T76-I80 PolarHBondContact O-N 3.31Å |
| 77 | I | 97.7 | Very high | 97.7 | Very high | 102 Ų | 102 | 91.4 Ų | 91.4 | 52% | 0.523 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 174.6 | -67.7 | 166.1 | 0 | 0 | 0 | 111.1 | I73 I74 F75 I79 I80 F81 | I73-I77 HydrophobicContact CG2-CD1 3.95Å; I73-I77 WeakPolarHBondContact O-CG1 3.33Å; I73-I77 PolarHBondContact O-N 3.11Å; I73-I77 VanDerWaalsContact O-N 3.11Å; I74-I77 PolarHBondContact O-N 3.03Å; F75-I77 PolarHBondContact O-N 3.09Å; I77-I79 PolarHBondContact O-N 2.97Å; I77-I80 PolarHBondContact O-N 3.47Å; I77-F81 PolarHBondContact O-N 3.47Å |
| 78 | I | 97.7 | Very high | 97.8 | Very high | 87 Ų | 87 | 91.1 Ų | 91.1 | 45% | 0.446 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 177.9 | -68 | 166.8 | 0 | 0 | 0 | 110.9 | I74 F75 T76 F81 I82 | I74-I78 HydrophobicContact CG2-CD1 3.92Å; I74-I78 WeakPolarHBondContact O-CG1 3.37Å; I74-I78 PolarHBondContact O-N 3.31Å; I74-I78 VanDerWaalsContact O-N 3.09Å; F75-I78 PolarHBondContact O-N 3.27Å; T76-I78 VanDerWaalsContact C-N 3.35Å; T76-I78 PolarHBondContact O-N 3.47Å; I78-F81 PolarHBondContact O-N 2.96Å; I78-I82 HydrophobicContact CG2-CD1 3.82Å; I78-I82 HydrophobicContact CG2-CG1 4.5Å; I78-I82 WeakPolarHBondContact O-CG1 3.28Å; I78-I82 PolarHBondContact O-N 3.36Å |
| 79 | I | 97.7 | Very high | 97.8 | Very high | 76 Ų | 76 | 90.5 Ų | 90.5 | 39% | 0.39 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176.9 | -69.8 | 172.2 | 0 | 0 | 0 | 111.3 | F75 T76 I77 F81 I82 T83 | F75-I79 HydrophobicContact CD1-CD1 3.74Å; F75-I79 HydrophobicContact CE1-CD1 3.26Å; F75-I79 HydrophobicContact CE1-CG1 4.3Å; F75-I79 HydrophobicContact CE2-CD1 4.43Å; F75-I79 HydrophobicContact CZ-CD1 3.66Å; F75-I79 HydrophobicContact CZ-CG1 4.37Å; F75-I79 PolarHBondContact O-N 3.48Å; F75-I79 VanDerWaalsContact O-N 3.09Å; T76-I79 PolarHBondContact O-N 3.09Å; I77-I79 PolarHBondContact O-N 2.97Å; I79-F81 VanDerWaalsContact C-N 3.29Å; I79-F81 PolarHBondContact O-N 3.28Å; I79-I82 PolarHBondContact O-N 3.06Å; I79-T83 HydrophobicContact CG2-CG2 4.41Å; I79-T83 WeakPolarHBondContact O-CG2 3.29Å; I79-T83 PolarHBondContact O-N 2.86Å; I79-T83 PolarHBondContact O-OG1 3Å |
| 80 | I | 97.8 | Very high | 97.9 | Very high | 99 Ų | 99 | 90.4 Ų | 90.4 | 51% | 0.508 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.7 | -68.4 | 165.7 | 0 | 0 | 0 | 110.3 | T76 I77 T83 I84 | T76-I80 WeakPolarHBondContact O-CG1 3.34Å; T76-I80 PolarHBondContact O-N 3.31Å; I77-I80 PolarHBondContact O-N 3.47Å; I80-T83 WeakPolarHBondContact CA-OG1 3.48Å; I80-T83 PolarHBondContact O-N 3.16Å; I80-T83 PolarHBondContact O-OG1 3.1Å; I80-I84 HydrophobicContact CG2-CD1 3.86Å; I80-I84 VanDerWaalsContact O-CG1 3.29Å; I80-I84 WeakPolarHBondContact O-CG1 3.37Å; I80-I84 PolarHBondContact O-N 3.41Å |
| 81 | F | 98 | Very high | 98 | Very high | 133 Ų | 133 | 90.4 Ų | 90.4 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 177.8 | -176.1 | -104.8 | 0 | 0 | 0 | 112.6 | I77 I78 I79 T83 I84 I85 | I77-F81 PolarHBondContact O-N 3.47Å; I78-F81 PolarHBondContact O-N 2.96Å; I79-F81 VanDerWaalsContact C-N 3.29Å; I79-F81 PolarHBondContact O-N 3.28Å; F81-T83 PolarHBondContact O-N 3.47Å; F81-I84 PolarHBondContact O-N 3.29Å; F81-I85 HydrophobicContact CD1-CD1 3.74Å; F81-I85 HydrophobicContact CE1-CD1 3.28Å; F81-I85 HydrophobicContact CE1-CG1 4.36Å; F81-I85 HydrophobicContact CE2-CD1 4.45Å; F81-I85 HydrophobicContact CZ-CD1 3.69Å; F81-I85 HydrophobicContact CZ-CG1 4.45Å; F81-I85 WeakPolarHBondContact O-CG1 3.39Å; F81-I85 PolarHBondContact O-N 3.46Å; F81-I85 VanDerWaalsContact O-N 3.1Å |
| 82 | I | 98.2 | Very high | 98 | Very high | 86 Ų | 86 | 93.5 Ų | 93.5 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 178.1 | -67.7 | 166.7 | 0 | 0 | 0 | 111 | I78 I79 I84 I85 I86 | I78-I82 HydrophobicContact CG2-CD1 3.82Å; I78-I82 HydrophobicContact CG2-CG1 4.5Å; I78-I82 WeakPolarHBondContact O-CG1 3.28Å; I78-I82 PolarHBondContact O-N 3.36Å; I79-I82 PolarHBondContact O-N 3.06Å; I82-I84 PolarHBondContact O-N 3.43Å; I82-I85 PolarHBondContact O-N 3.49Å; I82-I86 HydrophobicContact CG2-CD1 3.87Å; I82-I86 HydrophobicContact CG2-CG1 4.49Å; I82-I86 WeakPolarHBondContact O-CG1 3.36Å; I82-I86 PolarHBondContact O-N 3.45Å |
| 83 | T | 98.3 | Very high | 98 | Very high | 65 Ų | 65 | 93 Ų | 93 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 179.4 | 54 | 0 | 0 | 0 | 0 | 112 | I79 I80 F81 I85 I86 I87 | I79-T83 HydrophobicContact CG2-CG2 4.41Å; I79-T83 WeakPolarHBondContact O-CG2 3.29Å; I79-T83 PolarHBondContact O-N 2.86Å; I79-T83 PolarHBondContact O-OG1 3Å; I80-T83 WeakPolarHBondContact CA-OG1 3.48Å; I80-T83 PolarHBondContact O-N 3.16Å; I80-T83 PolarHBondContact O-OG1 3.1Å; F81-T83 PolarHBondContact O-N 3.47Å; T83-I85 PolarHBondContact O-N 3.4Å; T83-I86 PolarHBondContact O-N 2.98Å; T83-I87 VanDerWaalsContact O-CG1 3.28Å; T83-I87 WeakPolarHBondContact O-CG1 3.48Å; T83-I87 PolarHBondContact O-N 3.31Å |
| 84 | I | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 93 Ų | 93 | 43% | 0.431 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 173.5 | -68.9 | 165.7 | 0 | 0 | 0 | 111.2 | I80 F81 I82 I86 I87 I88 | I80-I84 HydrophobicContact CG2-CD1 3.86Å; I80-I84 VanDerWaalsContact O-CG1 3.29Å; I80-I84 WeakPolarHBondContact O-CG1 3.37Å; I80-I84 PolarHBondContact O-N 3.41Å; F81-I84 PolarHBondContact O-N 3.29Å; I82-I84 PolarHBondContact O-N 3.43Å; I84-I86 PolarHBondContact O-N 2.93Å; I84-I87 PolarHBondContact O-N 3.22Å; I84-I88 HydrophobicContact CG2-CD1 3.83Å; I84-I88 HydrophobicContact CG2-CG1 4.48Å; I84-I88 WeakPolarHBondContact O-CG1 3.36Å; I84-I88 PolarHBondContact O-N 2.97Å |
| 85 | I | 98.1 | Very high | 98 | Very high | 77 Ų | 77 | 92.6 Ų | 92.6 | 40% | 0.395 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 177.2 | -70.1 | 170.6 | 0 | 0 | 0 | 110.8 | F81 I82 T83 I87 I88 V89 | F81-I85 HydrophobicContact CD1-CD1 3.74Å; F81-I85 HydrophobicContact CE1-CD1 3.28Å; F81-I85 HydrophobicContact CE1-CG1 4.36Å; F81-I85 HydrophobicContact CE2-CD1 4.45Å; F81-I85 HydrophobicContact CZ-CD1 3.69Å; F81-I85 HydrophobicContact CZ-CG1 4.45Å; F81-I85 WeakPolarHBondContact O-CG1 3.39Å; F81-I85 PolarHBondContact O-N 3.46Å; F81-I85 VanDerWaalsContact O-N 3.1Å; I82-I85 PolarHBondContact O-N 3.49Å; T83-I85 PolarHBondContact O-N 3.4Å; I85-I87 VanDerWaalsContact C-N 3.32Å; I85-I87 PolarHBondContact O-N 3.26Å; I85-I88 PolarHBondContact O-N 3.29Å; I85-V89 HydrophobicContact CG2-CG2 4.43Å; I85-V89 WeakPolarHBondContact O-CG2 3.32Å; I85-V89 PolarHBondContact O-N 3.23Å |
| 86 | I | 98.2 | Very high | 98 | Very high | 90 Ų | 90 | 95 Ų | 95 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 178.9 | -68.3 | 167.5 | 0 | 0 | 0 | 110.4 | I82 T83 I84 I88 V89 I90 | I82-I86 HydrophobicContact CG2-CD1 3.87Å; I82-I86 HydrophobicContact CG2-CG1 4.49Å; I82-I86 WeakPolarHBondContact O-CG1 3.36Å; I82-I86 PolarHBondContact O-N 3.45Å; T83-I86 PolarHBondContact O-N 2.98Å; I84-I86 PolarHBondContact O-N 2.93Å; I86-I88 PolarHBondContact O-N 3.46Å; I86-V89 PolarHBondContact O-N 3.02Å; I86-I90 HydrophobicContact CG2-CD1 3.73Å; I86-I90 HydrophobicContact CG2-CG1 4.39Å; I86-I90 WeakPolarHBondContact O-CG1 3.31Å; I86-I90 PolarHBondContact O-N 2.96Å |
| 87 | I | 98.5 | Very high | 98 | Very high | 95 Ų | 95 | 96.3 Ų | 96.3 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 177 | -69.5 | 164.8 | 0 | 0 | 0 | 110.9 | T83 I84 I85 V89 I90 I91 | T83-I87 VanDerWaalsContact O-CG1 3.28Å; T83-I87 WeakPolarHBondContact O-CG1 3.48Å; T83-I87 PolarHBondContact O-N 3.31Å; I84-I87 PolarHBondContact O-N 3.22Å; I85-I87 VanDerWaalsContact C-N 3.32Å; I85-I87 PolarHBondContact O-N 3.26Å; I87-V89 VanDerWaalsContact C-N 3.33Å; I87-V89 PolarHBondContact O-N 2.91Å; I87-I90 PolarHBondContact O-N 3.28Å; I87-I91 HydrophobicContact CG2-CD1 3.72Å; I87-I91 HydrophobicContact CG2-CG1 4.4Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.37Å; I87-I91 PolarHBondContact O-N 3.42Å |
| 88 | I | 98.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 95.7 Ų | 95.7 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 178 | -68.5 | 166.6 | 0 | 0 | 0 | 111.2 | I84 I85 I86 I91 R92 | I84-I88 HydrophobicContact CG2-CD1 3.83Å; I84-I88 HydrophobicContact CG2-CG1 4.48Å; I84-I88 WeakPolarHBondContact O-CG1 3.36Å; I84-I88 PolarHBondContact O-N 2.97Å; I85-I88 PolarHBondContact O-N 3.29Å; I86-I88 PolarHBondContact O-N 3.46Å; I88-I91 PolarHBondContact O-N 3.43Å; I88-R92 WeakPolarHBondContact O-CG 3.37Å; I88-R92 PolarHBondContact O-N 3.19Å |
| 89 | V | 98.4 | Very high | 97.9 | Very high | 75 Ų | 75 | 95.8 Ų | 95.8 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | I85 I86 I87 I91 R92 I93 | I85-V89 HydrophobicContact CG2-CG2 4.43Å; I85-V89 WeakPolarHBondContact O-CG2 3.32Å; I85-V89 PolarHBondContact O-N 3.23Å; I86-V89 PolarHBondContact O-N 3.02Å; I87-V89 VanDerWaalsContact C-N 3.33Å; I87-V89 PolarHBondContact O-N 2.91Å; V89-I91 PolarHBondContact O-N 2.94Å; V89-R92 PolarHBondContact O-N 3.41Å; V89-I93 HydrophobicContact CG1-CD1 3.97Å; V89-I93 WeakPolarHBondContact O-CG1 3.31Å; V89-I93 PolarHBondContact O-N 3.29Å |
| 90 | I | 98.4 | Very high | 97.8 | Very high | 86 Ų | 86 | 96.9 Ų | 96.9 | 44% | 0.441 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 177.7 | -69.4 | 168.7 | 0 | 0 | 0 | 110.8 | I86 I87 R92 I93 I94 | I86-I90 HydrophobicContact CG2-CD1 3.73Å; I86-I90 HydrophobicContact CG2-CG1 4.39Å; I86-I90 WeakPolarHBondContact O-CG1 3.31Å; I86-I90 PolarHBondContact O-N 2.96Å; I87-I90 PolarHBondContact O-N 3.28Å; I90-R92 VanDerWaalsContact C-N 3.32Å; I90-R92 PolarHBondContact O-N 2.95Å; I90-I93 PolarHBondContact O-N 2.94Å; I90-I93 VanDerWaalsContact O-N 3.14Å; I90-I94 HydrophobicContact CG2-CD1 3.72Å; I90-I94 HydrophobicContact CG2-CG1 4.36Å; I90-I94 WeakPolarHBondContact O-CG1 3.37Å; I90-I94 PolarHBondContact O-N 3.14Å |
| 91 | I | 98.5 | Very high | 97.7 | Very high | 86 Ų | 86 | 100.4 Ų | 100.4 | 44% | 0.441 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 177.7 | -71.1 | 168.6 | 0 | 0 | 0 | 110.9 | I87 I88 V89 I93 I94 I95 | I87-I91 HydrophobicContact CG2-CD1 3.72Å; I87-I91 HydrophobicContact CG2-CG1 4.4Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.37Å; I87-I91 PolarHBondContact O-N 3.42Å; I88-I91 PolarHBondContact O-N 3.43Å; V89-I91 PolarHBondContact O-N 2.94Å; I91-I93 VanDerWaalsContact C-N 3.32Å; I91-I93 PolarHBondContact O-N 3.4Å; I91-I94 PolarHBondContact O-N 3.07Å; I91-I95 HydrophobicContact CG2-CD1 3.7Å; I91-I95 HydrophobicContact CG2-CG1 4.37Å; I91-I95 VanDerWaalsContact O-CG1 3.31Å; I91-I95 WeakPolarHBondContact O-CG1 3.32Å; I91-I95 PolarHBondContact O-N 3.49Å |
| 92 | R | 98 | Very high | 97.7 | Very high | 169 Ų | 169 | 98.6 Ų | 98.6 | 64% | 0.638 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.7 | -40.1 | 177 | -77.5 | 178.7 | 165.8 | -170.3 | -2.9 | 112.5 | I88 V89 I90 R96 | I88-R92 WeakPolarHBondContact O-CG 3.37Å; I88-R92 PolarHBondContact O-N 3.19Å; V89-R92 PolarHBondContact O-N 3.41Å; I90-R92 VanDerWaalsContact C-N 3.32Å; I90-R92 PolarHBondContact O-N 2.95Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 3.27Å; R92-R96 VanDerWaalsContact O-N 3.16Å |
| 93 | I | 98 | Very high | 97.6 | Very high | 89 Ų | 89 | 98.8 Ų | 98.8 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 177.1 | -66.7 | 165.4 | 0 | 0 | 0 | 110.3 | V89 I90 I91 I95 R96 I97 | V89-I93 HydrophobicContact CG1-CD1 3.97Å; V89-I93 WeakPolarHBondContact O-CG1 3.31Å; V89-I93 PolarHBondContact O-N 3.29Å; I90-I93 PolarHBondContact O-N 2.94Å; I90-I93 VanDerWaalsContact O-N 3.14Å; I91-I93 VanDerWaalsContact C-N 3.32Å; I91-I93 PolarHBondContact O-N 3.4Å; I93-I95 PolarHBondContact O-N 3.47Å; I93-R96 PolarHBondContact O-N 3.02Å; I93-I97 HydrophobicContact CG2-CD1 3.85Å; I93-I97 WeakPolarHBondContact O-CG1 3.26Å; I93-I97 PolarHBondContact O-N 3.44Å |
| 94 | I | 97.7 | Very high | 97.5 | Very high | 87 Ų | 87 | 100.8 Ų | 100.8 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 178.6 | -68 | 169.3 | 0 | 0 | 0 | 111 | I90 I91 R96 I97 I98 | I90-I94 HydrophobicContact CG2-CD1 3.72Å; I90-I94 HydrophobicContact CG2-CG1 4.36Å; I90-I94 WeakPolarHBondContact O-CG1 3.37Å; I90-I94 PolarHBondContact O-N 3.14Å; I91-I94 PolarHBondContact O-N 3.07Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-R96 PolarHBondContact O-N 3.38Å; I94-I97 PolarHBondContact O-N 3.27Å; I94-I98 HydrophobicContact CG2-CD1 3.76Å; I94-I98 HydrophobicContact CG2-CG1 4.4Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.04Å |
| 95 | I | 97.7 | Very high | 97.3 | Very high | 86 Ų | 86 | 101.5 Ų | 101.5 | 44% | 0.441 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 178 | -70 | 167.7 | 0 | 0 | 0 | 111 | I91 I93 I97 I98 I99 | I91-I95 HydrophobicContact CG2-CD1 3.7Å; I91-I95 HydrophobicContact CG2-CG1 4.37Å; I91-I95 VanDerWaalsContact O-CG1 3.31Å; I91-I95 WeakPolarHBondContact O-CG1 3.32Å; I91-I95 PolarHBondContact O-N 3.49Å; I93-I95 PolarHBondContact O-N 3.47Å; I95-I97 VanDerWaalsContact C-N 3.34Å; I95-I97 PolarHBondContact O-N 3.02Å; I95-I98 PolarHBondContact O-N 3.16Å; I95-I99 HydrophobicContact CG2-CD1 3.71Å; I95-I99 HydrophobicContact CG2-CG1 4.39Å; I95-I99 WeakPolarHBondContact O-CG1 3.38Å; I95-I99 PolarHBondContact O-N 2.97Å |
| 96 | R | 97.2 | Very high | 97.2 | Very high | 177 Ų | 177 | 101.2 Ų | 101.2 | 67% | 0.668 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 177 | -73.6 | 176.9 | -179.4 | -176.8 | -0.1 | 111.8 | R92 I93 I94 I99 I100 | R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 3.27Å; R92-R96 VanDerWaalsContact O-N 3.16Å; I93-R96 PolarHBondContact O-N 3.02Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-R96 PolarHBondContact O-N 3.38Å; R96-I99 PolarHBondContact O-N 3.4Å; R96-I100 WeakPolarHBondContact O-CD1 3.42Å; R96-I100 VanDerWaalsContact O-CG1 3.26Å; R96-I100 WeakPolarHBondContact O-CG1 3.37Å; R96-I100 PolarHBondContact O-N 3.02Å |
| 97 | I | 96.9 | Very high | 97.1 | Very high | 92 Ų | 92 | 101.2 Ų | 101.2 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.6 | -66.9 | 167 | 0 | 0 | 0 | 110.8 | I93 I94 I95 I100 R101 | I93-I97 HydrophobicContact CG2-CD1 3.85Å; I93-I97 WeakPolarHBondContact O-CG1 3.26Å; I93-I97 PolarHBondContact O-N 3.44Å; I94-I97 PolarHBondContact O-N 3.27Å; I95-I97 VanDerWaalsContact C-N 3.34Å; I95-I97 PolarHBondContact O-N 3.02Å; I97-I100 PolarHBondContact O-N 3.41Å; I97-R101 WeakPolarHBondContact O-CG 3.49Å; I97-R101 PolarHBondContact O-N 3.23Å |
| 98 | I | 97.1 | Very high | 96.9 | Very high | 89 Ų | 89 | 99.3 Ų | 99.3 | 46% | 0.456 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 178.3 | -68.3 | 168.7 | 0 | 0 | 0 | 110.8 | I94 I95 I100 R101 I102 | I94-I98 HydrophobicContact CG2-CD1 3.76Å; I94-I98 HydrophobicContact CG2-CG1 4.4Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.04Å; I95-I98 PolarHBondContact O-N 3.16Å; I98-I100 VanDerWaalsContact C-N 3.34Å; I98-I100 PolarHBondContact O-N 3.43Å; I98-R101 PolarHBondContact O-N 3.04Å; I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.44Å; I98-I102 WeakPolarHBondContact O-CG1 3.32Å; I98-I102 PolarHBondContact O-N 2.96Å |
| 99 | I | 96.9 | Very high | 96.8 | Very high | 89 Ų | 89 | 99.8 Ų | 99.8 | 46% | 0.456 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 178.8 | -68.8 | 168.1 | 0 | 0 | 0 | 110.7 | I95 R96 R101 I102 I103 | I95-I99 HydrophobicContact CG2-CD1 3.71Å; I95-I99 HydrophobicContact CG2-CG1 4.39Å; I95-I99 WeakPolarHBondContact O-CG1 3.38Å; I95-I99 PolarHBondContact O-N 2.97Å; R96-I99 PolarHBondContact O-N 3.4Å; I99-R101 VanDerWaalsContact C-N 3.34Å; I99-R101 PolarHBondContact O-N 3.42Å; I99-I102 PolarHBondContact O-N 3.03Å; I99-I103 HydrophobicContact CG2-CD1 3.82Å; I99-I103 HydrophobicContact CG2-CG1 4.47Å; I99-I103 WeakPolarHBondContact O-CG1 3.33Å; I99-I103 PolarHBondContact O-N 3.26Å |
| 100 | I | 96.5 | Very high | 96.6 | Very high | 98 Ų | 98 | 100.4 Ų | 100.4 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 178.1 | -68.7 | 165 | 0 | 0 | 0 | 110.9 | R96 I97 I98 I102 I103 I104 | R96-I100 WeakPolarHBondContact O-CD1 3.42Å; R96-I100 VanDerWaalsContact O-CG1 3.26Å; R96-I100 WeakPolarHBondContact O-CG1 3.37Å; R96-I100 PolarHBondContact O-N 3.02Å; I97-I100 PolarHBondContact O-N 3.41Å; I98-I100 VanDerWaalsContact C-N 3.34Å; I98-I100 PolarHBondContact O-N 3.43Å; I100-I102 PolarHBondContact O-N 3.21Å; I100-I103 PolarHBondContact O-N 3.31Å; I100-I104 HydrophobicContact CG2-CD1 3.9Å; I100-I104 WeakPolarHBondContact O-CG1 3.36Å; I100-I104 PolarHBondContact O-N 3.46Å |
| 101 | R | 95.7 | Very high | 96.4 | Very high | 173 Ų | 173 | 99.6 Ų | 99.6 | 65% | 0.653 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -41.1 | 177.2 | -71.8 | -173.8 | 77.9 | -177.4 | 4.4 | 112.2 | I97 I98 I99 I104 I105 | I97-R101 WeakPolarHBondContact O-CG 3.49Å; I97-R101 PolarHBondContact O-N 3.23Å; I98-R101 PolarHBondContact O-N 3.04Å; I99-R101 VanDerWaalsContact C-N 3.34Å; I99-R101 PolarHBondContact O-N 3.42Å; R101-I104 PolarHBondContact O-N 2.95Å; R101-I105 WeakPolarHBondContact O-CD1 3.34Å; R101-I105 VanDerWaalsContact O-CG1 3.28Å; R101-I105 WeakPolarHBondContact O-CG1 3.37Å; R101-I105 PolarHBondContact O-N 3.19Å; R101-I105 VanDerWaalsContact O-N 3.09Å |
| 102 | I | 96.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 104.1 Ų | 104.1 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 176.5 | -67.7 | 168.2 | 0 | 0 | 0 | 110.5 | I98 I99 I100 I104 I105 V106 | I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.44Å; I98-I102 WeakPolarHBondContact O-CG1 3.32Å; I98-I102 PolarHBondContact O-N 2.96Å; I99-I102 PolarHBondContact O-N 3.03Å; I100-I102 PolarHBondContact O-N 3.21Å; I102-I104 VanDerWaalsContact C-N 3.34Å; I102-I104 PolarHBondContact O-N 3.28Å; I102-I105 PolarHBondContact O-N 3.09Å; I102-V106 HydrophobicContact CG2-CG2 4.35Å; I102-V106 WeakPolarHBondContact O-CG2 3.37Å; I102-V106 PolarHBondContact O-N 2.97Å |
| 103 | I | 96.3 | Very high | 95.6 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 178.2 | -69 | 167.1 | 0 | 0 | 0 | 111 | I99 I100 I105 V106 I107 | I99-I103 HydrophobicContact CG2-CD1 3.82Å; I99-I103 HydrophobicContact CG2-CG1 4.47Å; I99-I103 WeakPolarHBondContact O-CG1 3.33Å; I99-I103 PolarHBondContact O-N 3.26Å; I100-I103 PolarHBondContact O-N 3.31Å; I103-I105 VanDerWaalsContact C-N 3.32Å; I103-I105 PolarHBondContact O-N 3.42Å; I103-V106 PolarHBondContact O-N 3.24Å; I103-I107 HydrophobicContact CG2-CD1 3.7Å; I103-I107 HydrophobicContact CG2-CG1 4.4Å; I103-I107 WeakPolarHBondContact O-CG1 3.46Å; I103-I107 PolarHBondContact O-N 2.94Å |
| 104 | I | 95.8 | Very high | 95.2 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 55% | 0.549 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 178 | -67.5 | 166.1 | 0 | 0 | 0 | 111.1 | I100 R101 I102 I107 A108 | I100-I104 HydrophobicContact CG2-CD1 3.9Å; I100-I104 WeakPolarHBondContact O-CG1 3.36Å; I100-I104 PolarHBondContact O-N 3.46Å; R101-I104 PolarHBondContact O-N 2.95Å; I102-I104 VanDerWaalsContact C-N 3.34Å; I102-I104 PolarHBondContact O-N 3.28Å; I104-I107 PolarHBondContact O-N 2.67Å; I104-A108 WeakPolarHBondContact O-CB 3.48Å; I104-A108 PolarHBondContact O-N 3.12Å |
| 105 | I | 94.8 | Very high | 94.6 | Very high | 98 Ų | 98 | 97.1 Ų | 97.1 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 178.3 | -67.9 | 164.7 | 0 | 0 | 0 | 110.9 | R101 I102 I103 A108 I109 | R101-I105 WeakPolarHBondContact O-CD1 3.34Å; R101-I105 VanDerWaalsContact O-CG1 3.28Å; R101-I105 WeakPolarHBondContact O-CG1 3.37Å; R101-I105 PolarHBondContact O-N 3.19Å; R101-I105 VanDerWaalsContact O-N 3.09Å; I102-I105 PolarHBondContact O-N 3.09Å; I103-I105 VanDerWaalsContact C-N 3.32Å; I103-I105 PolarHBondContact O-N 3.42Å; I105-A108 PolarHBondContact O-N 3.41Å; I105-I109 HydrophobicContact CG2-CD1 3.96Å; I105-I109 WeakPolarHBondContact O-CG1 3.28Å; I105-I109 PolarHBondContact O-N 3.41Å |
| 106 | V | 96.3 | Very high | 94.1 | Very high | 72 Ų | 72 | 97.3 Ų | 97.3 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | I102 I103 A108 I109 I110 | I102-V106 HydrophobicContact CG2-CG2 4.35Å; I102-V106 WeakPolarHBondContact O-CG2 3.37Å; I102-V106 PolarHBondContact O-N 2.97Å; I103-V106 PolarHBondContact O-N 3.24Å; V106-A108 VanDerWaalsContact C-N 3.32Å; V106-A108 PolarHBondContact O-N 3.14Å; V106-I109 PolarHBondContact O-N 2.98Å; V106-I110 HydrophobicContact CG1-CD1 3.92Å; V106-I110 WeakPolarHBondContact O-CG1 3.44Å; V106-I110 PolarHBondContact O-N 3.42Å |
| 107 | I | 96.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 93.9 Ų | 93.9 | 46% | 0.456 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.4 | -69.2 | 168.9 | 0 | 0 | 0 | 110.7 | I103 I104 I109 I110 I111 | I103-I107 HydrophobicContact CG2-CD1 3.7Å; I103-I107 HydrophobicContact CG2-CG1 4.4Å; I103-I107 WeakPolarHBondContact O-CG1 3.46Å; I103-I107 PolarHBondContact O-N 2.94Å; I104-I107 PolarHBondContact O-N 2.67Å; I107-I109 VanDerWaalsContact C-N 3.34Å; I107-I109 PolarHBondContact O-N 2.95Å; I107-I110 PolarHBondContact O-N 3.48Å; I107-I111 HydrophobicContact CG2-CD1 3.65Å; I107-I111 HydrophobicContact CG2-CG1 4.35Å; I107-I111 WeakPolarHBondContact O-CB 3.39Å; I107-I111 VanDerWaalsContact O-CG1 3.28Å; I107-I111 WeakPolarHBondContact O-CG1 3.33Å; I107-I111 PolarHBondContact O-N 3.02Å |
| 108 | A | 93.5 | Very high | 92.8 | Very high | 56 Ų | 56 | 93 Ų | 93 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | I104 I105 V106 R112 | I104-A108 WeakPolarHBondContact O-CB 3.48Å; I104-A108 PolarHBondContact O-N 3.12Å; I105-A108 PolarHBondContact O-N 3.41Å; V106-A108 VanDerWaalsContact C-N 3.32Å; V106-A108 PolarHBondContact O-N 3.14Å; A108-R112 WeakPolarHBondContact O-CB 3.44Å; A108-R112 PolarHBondContact O-N 3.27Å |
| 109 | I | 95.6 | Very high | 91.8 | Very high | 91 Ų | 91 | 91.1 Ų | 91.1 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 175.9 | -67.3 | 165.4 | 0 | 0 | 0 | 110.7 | I105 V106 I107 I111 R112 I113 | I105-I109 HydrophobicContact CG2-CD1 3.96Å; I105-I109 WeakPolarHBondContact O-CG1 3.28Å; I105-I109 PolarHBondContact O-N 3.41Å; V106-I109 PolarHBondContact O-N 2.98Å; I107-I109 VanDerWaalsContact C-N 3.34Å; I107-I109 PolarHBondContact O-N 2.95Å; I109-I111 PolarHBondContact O-N 3.23Å; I109-R112 PolarHBondContact O-N 2.95Å; I109-I113 HydrophobicContact CG2-CD1 3.87Å; I109-I113 WeakPolarHBondContact O-CG1 3.44Å; I109-I113 PolarHBondContact O-N 2.74Å |
| 110 | I | 95.1 | Very high | 91 | Very high | 88 Ų | 88 | 90.9 Ų | 90.9 | 45% | 0.451 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 178.9 | -68.4 | 167.9 | 0 | 0 | 0 | 110.6 | V106 I107 R112 I113 I114 | V106-I110 HydrophobicContact CG1-CD1 3.92Å; V106-I110 WeakPolarHBondContact O-CG1 3.44Å; V106-I110 PolarHBondContact O-N 3.42Å; I107-I110 PolarHBondContact O-N 3.48Å; I110-R112 VanDerWaalsContact C-N 3.34Å; I110-R112 PolarHBondContact O-N 3.31Å; I110-I113 PolarHBondContact O-N 3.47Å; I110-I114 HydrophobicContact CG2-CD1 3.8Å; I110-I114 HydrophobicContact CG2-CG1 4.44Å; I110-I114 WeakPolarHBondContact O-CG1 3.45Å; I110-I114 PolarHBondContact O-N 2.96Å |
| 111 | I | 93.1 | Very high | 90.1 | Very high | 69 Ų | 69 | 89.3 Ų | 89.3 | 35% | 0.354 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -54.5 | -52.8 | 176.2 | -73.3 | 170.4 | 0 | 0 | 0 | 109.2 | I107 I109 I113 I114 I115 | I107-I111 HydrophobicContact CG2-CD1 3.65Å; I107-I111 HydrophobicContact CG2-CG1 4.35Å; I107-I111 WeakPolarHBondContact O-CB 3.39Å; I107-I111 VanDerWaalsContact O-CG1 3.28Å; I107-I111 WeakPolarHBondContact O-CG1 3.33Å; I107-I111 PolarHBondContact O-N 3.02Å; I109-I111 PolarHBondContact O-N 3.23Å; I111-I113 VanDerWaalsContact C-N 3.29Å; I111-I113 PolarHBondContact O-N 3.03Å; I111-I114 PolarHBondContact O-N 3.41Å; I111-I114 VanDerWaalsContact O-N 3.14Å; I111-I115 HydrophobicContact CG2-CD1 3.37Å; I111-I115 WeakPolarHBondContact O-CB 3.47Å; I111-I115 WeakPolarHBondContact O-CD1 3.38Å; I111-I115 WeakPolarHBondContact O-CG1 3.39Å; I111-I115 PolarHBondContact O-N 2.99Å |
| 112 | R | 89.6 | Confident | 88.7 | Confident | 182 Ų | 182 | 81.8 Ų | 81.8 | 69% | 0.687 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -57.6 | -37.5 | 179.6 | -169.4 | 175.7 | -178.1 | 173.4 | 1.5 | 113.3 | A108 I109 I110 I115 I116 | A108-R112 WeakPolarHBondContact O-CB 3.44Å; A108-R112 PolarHBondContact O-N 3.27Å; I109-R112 PolarHBondContact O-N 2.95Å; I110-R112 VanDerWaalsContact C-N 3.34Å; I110-R112 PolarHBondContact O-N 3.31Å; R112-I115 WeakPolarHBondContact O-CB 3.37Å; R112-I116 HydrophobicContact CG-CD1 4.27Å; R112-I116 WeakPolarHBondContact O-CD1 3.41Å; R112-I116 VanDerWaalsContact O-CG1 3.28Å; R112-I116 WeakPolarHBondContact O-CG1 3.28Å; R112-I116 PolarHBondContact O-N 2.97Å; R112-I116 VanDerWaalsContact O-N 3.11Å |
| 113 | I | 91.5 | Very high | 86.9 | Confident | 91 Ų | 91 | 87 Ų | 87 | 47% | 0.467 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.1 | -47.9 | 176.2 | -68.1 | 166.7 | 0 | 0 | 0 | 111 | I109 I110 I111 I115 I116 I117 | I109-I113 HydrophobicContact CG2-CD1 3.87Å; I109-I113 WeakPolarHBondContact O-CG1 3.44Å; I109-I113 PolarHBondContact O-N 2.74Å; I110-I113 PolarHBondContact O-N 3.47Å; I111-I113 VanDerWaalsContact C-N 3.29Å; I111-I113 PolarHBondContact O-N 3.03Å; I113-I115 PolarHBondContact O-N 3.01Å; I113-I116 PolarHBondContact O-N 3.03Å; I113-I116 VanDerWaalsContact O-N 3.15Å; I113-I117 HydrophobicContact CG2-CD1 3.92Å; I113-I117 WeakPolarHBondContact O-CG1 3.28Å; I113-I117 PolarHBondContact O-N 3.5Å |
| 114 | I | 89.5 | Confident | 85.4 | Confident | 87 Ų | 87 | 93.1 Ų | 93.1 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 177.6 | -68.5 | 167.3 | 0 | 0 | 0 | 110.4 | I110 I111 I117 I118 | I110-I114 HydrophobicContact CG2-CD1 3.8Å; I110-I114 HydrophobicContact CG2-CG1 4.44Å; I110-I114 WeakPolarHBondContact O-CG1 3.45Å; I110-I114 PolarHBondContact O-N 2.96Å; I111-I114 PolarHBondContact O-N 3.41Å; I111-I114 VanDerWaalsContact O-N 3.14Å; I114-I117 WeakPolarHBondContact O-CB 3.32Å; I114-I117 PolarHBondContact O-N 3.31Å; I114-I118 HydrophobicContact CG2-CD1 3.83Å; I114-I118 HydrophobicContact CG2-CG1 4.48Å; I114-I118 WeakPolarHBondContact O-CG1 3.33Å; I114-I118 PolarHBondContact O-N 3.31Å |
| 115 | I | 84.7 | Confident | 83.7 | Confident | 20 Ų | 20 | 93.6 Ų | 93.6 | 10% | 0.103 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 176.8 | -79.5 | 155.6 | 0 | 0 | 0 | 112.2 | I111 R112 I113 I117 I118 I119 F133 F137 | I111-I115 HydrophobicContact CG2-CD1 3.37Å; I111-I115 WeakPolarHBondContact O-CB 3.47Å; I111-I115 WeakPolarHBondContact O-CD1 3.38Å; I111-I115 WeakPolarHBondContact O-CG1 3.39Å; I111-I115 PolarHBondContact O-N 2.99Å; R112-I115 WeakPolarHBondContact O-CB 3.37Å; I113-I115 PolarHBondContact O-N 3.01Å; I115-I117 VanDerWaalsContact C-N 3.29Å; I115-I117 PolarHBondContact O-N 2.83Å; I115-I118 PolarHBondContact O-N 3.06Å; I115-I119 HydrophobicContact CG2-CD1 4.17Å; I115-I119 WeakPolarHBondContact O-CG1 3.2Å; I115-I119 PolarHBondContact O-N 3.26Å; I115-F133 HydrophobicContact CB-CE1 4.09Å; I115-F133 HydrophobicContact CB-CZ 4.11Å; I115-F133 HydrophobicContact CG1-CE1 4.28Å; I115-F133 HydrophobicContact CG1-CZ 3.88Å; I115-F133 HydrophobicContact CG2-CE1 3.59Å; I115-F133 HydrophobicContact CG2-CZ 4.09Å; I115-F133 WeakPolarHBondContact O-CE1 3.39Å; I115-F137 HydrophobicContact CB-CE1 4.39Å; I115-F137 HydrophobicContact CB-CE2 4.19Å; I115-F137 HydrophobicContact CB-CZ 3.83Å; I115-F137 HydrophobicContact CD1-CE1 3.22Å; I115-F137 HydrophobicContact CD1-CE2 4.09Å; I115-F137 HydrophobicContact CD1-CZ 2.98Å; I115-F137 HydrophobicContact CG1-CE1 3.96Å; I115-F137 HydrophobicContact CG1-CE2 3.9Å; I115-F137 HydrophobicContact CG1-CZ 3.23Å; I115-F137 HydrophobicContact CG2-CD1 4.28Å; I115-F137 HydrophobicContact CG2-CD2 3.9Å; I115-F137 HydrophobicContact CG2-CE1 3.71Å; I115-F137 HydrophobicContact CG2-CE2 3.31Å; I115-F137 HydrophobicContact CG2-CG 4.42Å; I115-F137 HydrophobicContact CG2-CZ 3.26Å |
| 116 | I | 86.2 | Confident | 82.3 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 46% | 0.456 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 178 | -69.5 | 164.3 | 0 | 0 | 0 | 110.7 | R112 I113 I119 T120 | R112-I116 HydrophobicContact CG-CD1 4.27Å; R112-I116 WeakPolarHBondContact O-CD1 3.41Å; R112-I116 VanDerWaalsContact O-CG1 3.28Å; R112-I116 WeakPolarHBondContact O-CG1 3.28Å; R112-I116 PolarHBondContact O-N 2.97Å; R112-I116 VanDerWaalsContact O-N 3.11Å; I113-I116 PolarHBondContact O-N 3.03Å; I113-I116 VanDerWaalsContact O-N 3.15Å; I116-I119 PolarHBondContact O-N 3.43Å; I116-T120 WeakPolarHBondContact O-CB 3.19Å; I116-T120 PolarHBondContact O-N 3.22Å; I116-T120 PolarHBondContact O-OG1 3.02Å |
| 117 | I | 85 | Confident | 80.8 | Confident | 105 Ų | 105 | 94.1 Ų | 94.1 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.4 | -66.5 | 167 | 0 | 0 | 0 | 110.5 | I113 I114 I115 I119 T120 S121 | I113-I117 HydrophobicContact CG2-CD1 3.92Å; I113-I117 WeakPolarHBondContact O-CG1 3.28Å; I113-I117 PolarHBondContact O-N 3.5Å; I114-I117 WeakPolarHBondContact O-CB 3.32Å; I114-I117 PolarHBondContact O-N 3.31Å; I115-I117 VanDerWaalsContact C-N 3.29Å; I115-I117 PolarHBondContact O-N 2.83Å; I117-I119 PolarHBondContact O-N 3.16Å; I117-T120 PolarHBondContact O-N 3.14Å; I117-S121 PolarHBondContact O-N 3.09Å; I117-S121 PolarHBondContact O-OG 2.7Å |
| 118 | I | 82.9 | Confident | 79.3 | Confident | 75 Ų | 75 | 93.8 Ų | 93.8 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 177.5 | -67.7 | 167 | 0 | 0 | 0 | 111.3 | I114 I115 T120 S121 S122 F133 | I114-I118 HydrophobicContact CG2-CD1 3.83Å; I114-I118 HydrophobicContact CG2-CG1 4.48Å; I114-I118 WeakPolarHBondContact O-CG1 3.33Å; I114-I118 PolarHBondContact O-N 3.31Å; I115-I118 PolarHBondContact O-N 3.06Å; I118-T120 VanDerWaalsContact C-N 3.35Å; I118-T120 PolarHBondContact O-N 3.25Å; I118-S121 PolarHBondContact O-OG 3.2Å; I118-S122 WeakPolarHBondContact O-CB 3.27Å; I118-S122 PolarHBondContact O-N 2.99Å; I118-F133 HydrophobicContact CB-CZ 4.1Å; I118-F133 HydrophobicContact CD1-CZ 4.4Å; I118-F133 HydrophobicContact CG2-CD2 4.46Å; I118-F133 HydrophobicContact CG2-CE2 3.95Å; I118-F133 HydrophobicContact CG2-CZ 3.95Å |
| 119 | I | 76.7 | Confident | 77.8 | Confident | 48 Ų | 48 | 95.4 Ų | 95.4 | 25% | 0.246 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 176.5 | -67.4 | 164.4 | 0 | 0 | 0 | 110.6 | I115 I116 I117 S121 S122 R123 V130 F133 | I115-I119 HydrophobicContact CG2-CD1 4.17Å; I115-I119 WeakPolarHBondContact O-CG1 3.2Å; I115-I119 PolarHBondContact O-N 3.26Å; I116-I119 PolarHBondContact O-N 3.43Å; I117-I119 PolarHBondContact O-N 3.16Å; I119-S121 PolarHBondContact O-N 3.43Å; I119-S122 PolarHBondContact O-N 3.23Å; I119-R123 PolarHBondContact O-N 2.98Å; I119-V130 HydrophobicContact CG2-CG1 4.34Å; I119-F133 HydrophobicContact CD1-CD1 3.56Å; I119-F133 HydrophobicContact CD1-CE1 3.62Å; I119-F133 HydrophobicContact CG1-CD1 3.2Å; I119-F133 HydrophobicContact CG1-CE1 3.35Å; I119-F133 HydrophobicContact CG1-CG 4.28Å |
| 120 | T | 79.2 | Confident | 76.3 | Confident | 84 Ų | 84 | 92.3 Ų | 92.3 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | -176.2 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | I116 I117 I118 | I116-T120 WeakPolarHBondContact O-CB 3.19Å; I116-T120 PolarHBondContact O-N 3.22Å; I116-T120 PolarHBondContact O-OG1 3.02Å; I117-T120 PolarHBondContact O-N 3.14Å; I118-T120 VanDerWaalsContact C-N 3.35Å; I118-T120 PolarHBondContact O-N 3.25Å |
| 121 | S | 77.3 | Confident | 74.9 | Confident | 66 Ų | 66 | 92.4 Ų | 92.4 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.7 | -40.9 | 174.2 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | I117 I118 I119 R123 R124 | I117-S121 PolarHBondContact O-N 3.09Å; I117-S121 PolarHBondContact O-OG 2.7Å; I118-S121 PolarHBondContact O-OG 3.2Å; I119-S121 PolarHBondContact O-N 3.43Å; S121-R123 VanDerWaalsContact C-N 3.34Å; S121-R123 PolarHBondContact O-N 3.41Å; S121-R124 WeakPolarHBondContact O-CB 3.42Å; S121-R124 PolarHBondContact O-N 3.23Å; S121-R124 VanDerWaalsContact O-N 3.12Å |
| 122 | S | 66 | Low | 73.6 | Confident | 15 Ų | 15 | 93.1 Ų | 93.1 | 11% | 0.105 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -67.2 | -29.9 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | I118 I119 R124 N125 N129 | I118-S122 WeakPolarHBondContact O-CB 3.27Å; I118-S122 PolarHBondContact O-N 2.99Å; I119-S122 PolarHBondContact O-N 3.23Å; S122-R124 PolarHBondContact O-N 3.47Å; S122-N125 CarbonylContact O-C 3.39Å; S122-N125 WeakPolarHBondContact O-CA 3.32Å; S122-N125 PolarHBondContact O-N 3.01Å; S122-N129 WeakPolarHBondContact OG-CB 3.44Å |
| 123 | R | 60.2 | Low | 72.4 | Confident | 206 Ų | 206 | 86.2 Ų | 86.2 | 78% | 0.777 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.8 | -25.7 | 174 | -167.4 | 177.8 | 179.3 | -177.6 | 0.4 | 112.1 | I119 S121 N125 V130 | I119-R123 PolarHBondContact O-N 2.98Å; S121-R123 VanDerWaalsContact C-N 3.34Å; S121-R123 PolarHBondContact O-N 3.41Å; R123-N125 VanDerWaalsContact C-N 3.34Å; R123-V130 HydrophobicContact CB-CG2 4.32Å |
| 124 | R | 63.4 | Low | 71.3 | Confident | 217 Ų | 217 | 86.5 Ų | 86.5 | 82% | 0.819 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -72.4 | -29.6 | 169.7 | -59.3 | -174.9 | -176.3 | 179 | 0.7 | 111.9 | S121 S122 | S121-R124 WeakPolarHBondContact O-CB 3.42Å; S121-R124 PolarHBondContact O-N 3.23Å; S121-R124 VanDerWaalsContact O-N 3.12Å; S122-R124 PolarHBondContact O-N 3.47Å |
| 125 | N | 61.2 | Low | 70.2 | Confident | 118 Ų | 118 | 88.6 Ų | 88.6 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -117.3 | 82.6 | -177.3 | -67.5 | -0 | 0 | 0 | 0 | 111.3 | S122 R123 | S122-N125 CarbonylContact O-C 3.39Å; S122-N125 WeakPolarHBondContact O-CA 3.32Å; S122-N125 PolarHBondContact O-N 3.01Å; R123-N125 VanDerWaalsContact C-N 3.34Å |
| 126 | S | 65.5 | Low | 69.5 | Low | 68 Ų | 68 | 90.2 Ų | 90.2 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | trans | 68.1 | 129.4 | 172.8 | 81 | 0 | 0 | 0 | 0 | 117.1 | S128 | S126-S128 PolarHBondContact O-N 3.41Å; S126-S128 VanDerWaalsContact O-N 3.15Å | ||
| 127 | V | 65.3 | Low | 68.4 | Low | 112 Ų | 112 | 88.2 Ų | 88.2 | 68% | 0.679 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60 | -23.4 | 177.8 | 177.1 | 0 | 0 | 0 | 0 | 112.7 | V130 I131 | V127-V130 PolarHBondContact O-N 2.95Å; V127-I131 HydrophobicContact CG1-CD1 4.38Å |
| 128 | S | 63.6 | Low | 67.6 | Low | 82 Ų | 82 | 91 Ų | 91 | 57% | 0.573 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | -177.3 | -168.5 | 0 | 0 | 0 | 0 | 113.2 | S126 V130 I131 T132 | S126-S128 PolarHBondContact O-N 3.41Å; S126-S128 VanDerWaalsContact O-N 3.15Å; S128-V130 VanDerWaalsContact C-N 3.29Å; S128-V130 PolarHBondContact O-N 2.75Å; S128-I131 PolarHBondContact O-N 3.15Å; S128-T132 PolarHBondContact O-OG1 3.31Å |
| 129 | N | 63.3 | Low | 66.7 | Low | 91 Ų | 91 | 89.6 Ų | 89.6 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.4 | -25.6 | -177.3 | -75 | -4.7 | 0 | 0 | 0 | 113.2 | S122 T132 F133 | S122-N129 WeakPolarHBondContact OG-CB 3.44Å; N129-T132 PolarHBondContact O-OG1 2.99Å; N129-F133 WeakPolarHBondContact O-CB 3.28Å; N129-F133 PolarHBondContact O-N 3.18Å |
| 130 | V | 62.9 | Low | 66.2 | Low | 25 Ų | 25 | 93 Ų | 93 | 15% | 0.152 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -70.4 | -35.7 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | I119 R123 V127 S128 F133 I134 | I119-V130 HydrophobicContact CG2-CG1 4.34Å; R123-V130 HydrophobicContact CB-CG2 4.32Å; V127-V130 PolarHBondContact O-N 2.95Å; S128-V130 VanDerWaalsContact C-N 3.29Å; S128-V130 PolarHBondContact O-N 2.75Å; V130-F133 PolarHBondContact O-N 3.33Å; V130-I134 HydrophobicContact CG1-CD1 3.94Å; V130-I134 HydrophobicContact CG1-CG1 4.44Å; V130-I134 WeakPolarHBondContact O-CG1 3.37Å; V130-I134 PolarHBondContact O-N 3.09Å |
| 131 | I | 65.4 | Low | 65.4 | Low | 91 Ų | 91 | 95.2 Ų | 95.2 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69 | -49.7 | -178 | -64.4 | 169.8 | 0 | 0 | 0 | 110.7 | V127 S128 F133 I134 F135 | V127-I131 HydrophobicContact CG1-CD1 4.38Å; S128-I131 PolarHBondContact O-N 3.15Å; I131-F133 PolarHBondContact O-N 3.39Å; I131-I134 PolarHBondContact O-N 3.33Å; I131-F135 HydrophobicContact CG2-CD2 3.96Å; I131-F135 HydrophobicContact CG2-CE2 3.88Å; I131-F135 VanDerWaalsContact O-CD2 3.29Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 3.25Å; I131-F135 VanDerWaalsContact O-N 3.09Å |
| 132 | T | 66.8 | Low | 64.7 | Low | 83 Ų | 83 | 98.8 Ų | 98.8 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.6 | -35.6 | 175.5 | 33.9 | 0 | 0 | 0 | 0 | 111.9 | S128 N129 F135 F136 | S128-T132 PolarHBondContact O-OG1 3.31Å; N129-T132 PolarHBondContact O-OG1 2.99Å; T132-F135 PolarHBondContact O-N 3.2Å; T132-F136 PolarHBondContact O-N 3.11Å |
| 133 | F | 64.3 | Low | 64.5 | Low | 38 Ų | 38 | 98.9 Ų | 98.9 | 17% | 0.167 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -75.2 | -36.7 | 178.3 | -155.7 | -101.1 | 0 | 0 | 0 | 113.8 | I115 I118 I119 N129 V130 I131 F135 F136 F137 | I115-F133 HydrophobicContact CB-CE1 4.09Å; I115-F133 HydrophobicContact CB-CZ 4.11Å; I115-F133 HydrophobicContact CG1-CE1 4.28Å; I115-F133 HydrophobicContact CG1-CZ 3.88Å; I115-F133 HydrophobicContact CG2-CE1 3.59Å; I115-F133 HydrophobicContact CG2-CZ 4.09Å; I115-F133 WeakPolarHBondContact O-CE1 3.39Å; I118-F133 HydrophobicContact CB-CZ 4.1Å; I118-F133 HydrophobicContact CD1-CZ 4.4Å; I118-F133 HydrophobicContact CG2-CD2 4.46Å; I118-F133 HydrophobicContact CG2-CE2 3.95Å; I118-F133 HydrophobicContact CG2-CZ 3.95Å; I119-F133 HydrophobicContact CD1-CD1 3.56Å; I119-F133 HydrophobicContact CD1-CE1 3.62Å; I119-F133 HydrophobicContact CG1-CD1 3.2Å; I119-F133 HydrophobicContact CG1-CE1 3.35Å; I119-F133 HydrophobicContact CG1-CG 4.28Å; N129-F133 WeakPolarHBondContact O-CB 3.28Å; N129-F133 PolarHBondContact O-N 3.18Å; V130-F133 PolarHBondContact O-N 3.33Å; I131-F133 PolarHBondContact O-N 3.39Å; F133-F135 VanDerWaalsContact C-N 3.26Å; F133-F135 PolarHBondContact O-N 3.3Å; F133-F136 VanDerWaalsContact O-CB 3.24Å; F133-F136 WeakPolarHBondContact O-CB 3.43Å; F133-F136 PolarHBondContact O-N 3.43Å; F133-F136 VanDerWaalsContact O-N 3.12Å; F133-F137 AromaticContact CD1-CD2 3.88Å; F133-F137 HydrophobicContact CD1-CD2 3.88Å; F133-F137 AromaticContact CD1-CE2 3.59Å; F133-F137 HydrophobicContact CD1-CE2 3.59Å; F133-F137 AromaticContact CE1-CD2 3.96Å; F133-F137 HydrophobicContact CE1-CD2 3.96Å; F133-F137 AromaticContact CE1-CE2 3.28Å; F133-F137 HydrophobicContact CE1-CE2 3.28Å; F133-F137 HydrophobicContact CE1-CZ 4.22Å; F133-F137 HydrophobicContact CE2-CE2 4.31Å; F133-F137 HydrophobicContact CG-CE2 4.3Å; F133-F137 AromaticContact CZ-CE2 3.67Å; F133-F137 HydrophobicContact CZ-CE2 3.67Å; F133-F137 HydrophobicContact CZ-CZ 4.31Å; F133-F137 VanDerWaalsContact O-CD2 3.27Å; F133-F137 WeakPolarHBondContact O-CD2 3.29Å; F133-F137 PolarHBondContact O-N 3.09Å; F133-F137 VanDerWaalsContact O-N 3.16Å |
| 134 | I | 68.8 | Low | 64.4 | Low | 97 Ų | 97 | 98.1 Ų | 98.1 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 170.5 | -69.8 | 166 | 0 | 0 | 0 | 110.6 | V130 I131 F136 F137 R138 | V130-I134 HydrophobicContact CG1-CD1 3.94Å; V130-I134 HydrophobicContact CG1-CG1 4.44Å; V130-I134 WeakPolarHBondContact O-CG1 3.37Å; V130-I134 PolarHBondContact O-N 3.09Å; I131-I134 PolarHBondContact O-N 3.33Å; I134-F136 VanDerWaalsContact C-N 3.35Å; I134-F137 PolarHBondContact O-N 3.2Å; I134-R138 PolarHBondContact O-N 3.25Å |
| 135 | F | 66.8 | Low | 64.4 | Low | 130 Ų | 130 | 90.7 Ų | 90.7 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.3 | -35.8 | 173.1 | -84.7 | -74.9 | 0 | 0 | 0 | 112.8 | I131 T132 F133 S139 | I131-F135 HydrophobicContact CG2-CD2 3.96Å; I131-F135 HydrophobicContact CG2-CE2 3.88Å; I131-F135 VanDerWaalsContact O-CD2 3.29Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 3.25Å; I131-F135 VanDerWaalsContact O-N 3.09Å; T132-F135 PolarHBondContact O-N 3.2Å; F133-F135 VanDerWaalsContact C-N 3.26Å; F133-F135 PolarHBondContact O-N 3.3Å; F135-S139 VanDerWaalsContact O-CB 3.28Å; F135-S139 WeakPolarHBondContact O-CB 3.24Å; F135-S139 PolarHBondContact O-N 3.4Å; F135-S139 PolarHBondContact O-OG 3.25Å |
| 136 | F | 68.5 | Low | 64.5 | Low | 55 Ų | 55 | 89.5 Ų | 89.5 | 24% | 0.241 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -54.8 | -50.4 | 170 | -177.5 | -68.2 | 0 | 0 | 0 | 110.5 | T132 F133 I134 S139 W140 F152 I156 | T132-F136 PolarHBondContact O-N 3.11Å; F133-F136 VanDerWaalsContact O-CB 3.24Å; F133-F136 WeakPolarHBondContact O-CB 3.43Å; F133-F136 PolarHBondContact O-N 3.43Å; F133-F136 VanDerWaalsContact O-N 3.12Å; I134-F136 VanDerWaalsContact C-N 3.35Å; F136-S139 PolarHBondContact O-N 3.23Å; F136-W140 HydrophobicContact CE1-CB 4.5Å; F136-W140 HydrophobicContact CE1-CD2 4.38Å; F136-W140 AromaticContact CE1-CE3 3.8Å; F136-W140 HydrophobicContact CE1-CE3 3.8Å; F136-W140 HydrophobicContact CE1-CZ3 4.47Å; F136-W140 AromaticContact CZ-CE3 4Å; F136-W140 HydrophobicContact CZ-CE3 4Å; F136-W140 HydrophobicContact CZ-CZ3 4.3Å; F136-W140 WeakPolarHBondContact O-CB 3.31Å; F136-W140 PolarHBondContact O-N 3.32Å; F136-F152 HydrophobicContact CB-CE2 4.42Å; F136-F152 HydrophobicContact CB-CZ 3.89Å; F136-F152 HydrophobicContact CD1-CZ 4.45Å; F136-F152 AromaticContact CD2-CE1 3.42Å; F136-F152 HydrophobicContact CD2-CE1 3.42Å; F136-F152 VanDerWaalsContact CD2-CE1 3.42Å; F136-F152 HydrophobicContact CD2-CE2 4.32Å; F136-F152 AromaticContact CD2-CZ 3.11Å; F136-F152 HydrophobicContact CD2-CZ 3.11Å; F136-F152 AromaticContact CE2-CE1 3.32Å; F136-F152 HydrophobicContact CE2-CE1 3.32Å; F136-F152 AromaticContact CE2-CZ 3.6Å; F136-F152 HydrophobicContact CE2-CZ 3.6Å; F136-F152 HydrophobicContact CG-CE1 4.12Å; F136-F152 HydrophobicContact CG-CE2 4.46Å; F136-F152 AromaticContact CG-CZ 3.55Å; F136-F152 HydrophobicContact CG-CZ 3.55Å; F136-F152 HydrophobicContact CZ-CE1 4.03Å; F136-F152 HydrophobicContact CZ-CZ 4.44Å; F136-I156 HydrophobicContact CD2-CD1 4.25Å; F136-I156 HydrophobicContact CE2-CD1 4.15Å |
| 137 | F | 64.3 | Low | 64.5 | Low | 46 Ų | 46 | 93.7 Ų | 93.7 | 20% | 0.202 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -68.7 | -45.3 | -177.5 | -81.7 | -69.7 | 0 | 0 | 0 | 114.2 | I115 F133 I134 S139 W140 D141 | I115-F137 HydrophobicContact CB-CE1 4.39Å; I115-F137 HydrophobicContact CB-CE2 4.19Å; I115-F137 HydrophobicContact CB-CZ 3.83Å; I115-F137 HydrophobicContact CD1-CE1 3.22Å; I115-F137 HydrophobicContact CD1-CE2 4.09Å; I115-F137 HydrophobicContact CD1-CZ 2.98Å; I115-F137 HydrophobicContact CG1-CE1 3.96Å; I115-F137 HydrophobicContact CG1-CE2 3.9Å; I115-F137 HydrophobicContact CG1-CZ 3.23Å; I115-F137 HydrophobicContact CG2-CD1 4.28Å; I115-F137 HydrophobicContact CG2-CD2 3.9Å; I115-F137 HydrophobicContact CG2-CE1 3.71Å; I115-F137 HydrophobicContact CG2-CE2 3.31Å; I115-F137 HydrophobicContact CG2-CG 4.42Å; I115-F137 HydrophobicContact CG2-CZ 3.26Å; F133-F137 AromaticContact CD1-CD2 3.88Å; F133-F137 HydrophobicContact CD1-CD2 3.88Å; F133-F137 AromaticContact CD1-CE2 3.59Å; F133-F137 HydrophobicContact CD1-CE2 3.59Å; F133-F137 AromaticContact CE1-CD2 3.96Å; F133-F137 HydrophobicContact CE1-CD2 3.96Å; F133-F137 AromaticContact CE1-CE2 3.28Å; F133-F137 HydrophobicContact CE1-CE2 3.28Å; F133-F137 HydrophobicContact CE1-CZ 4.22Å; F133-F137 HydrophobicContact CE2-CE2 4.31Å; F133-F137 HydrophobicContact CG-CE2 4.3Å; F133-F137 AromaticContact CZ-CE2 3.67Å; F133-F137 HydrophobicContact CZ-CE2 3.67Å; F133-F137 HydrophobicContact CZ-CZ 4.31Å; F133-F137 VanDerWaalsContact O-CD2 3.27Å; F133-F137 WeakPolarHBondContact O-CD2 3.29Å; F133-F137 PolarHBondContact O-N 3.09Å; F133-F137 VanDerWaalsContact O-N 3.16Å; I134-F137 PolarHBondContact O-N 3.2Å; F137-S139 PolarHBondContact O-N 2.94Å; F137-W140 PolarHBondContact O-N 3.41Å; F137-W140 VanDerWaalsContact O-N 3.09Å; F137-D141 PolarHBondContact O-N 3.05Å |
| 138 | R | 67.4 | Low | 64.1 | Low | 164 Ų | 164 | 91 Ų | 91 | 62% | 0.619 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.2 | -29.6 | 177.2 | -168.7 | 174.9 | -177.3 | 173 | -0.3 | 111.6 | I134 K142 | I134-R138 PolarHBondContact O-N 3.25Å; R138-K142 WeakPolarHBondContact O-CG 3.19Å |
| 139 | S | 64.8 | Low | 64 | Low | 45 Ų | 45 | 90.9 Ų | 90.9 | 32% | 0.315 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -79.2 | -38.7 | 174.5 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | F135 F136 F137 K142 A143 | F135-S139 VanDerWaalsContact O-CB 3.28Å; F135-S139 WeakPolarHBondContact O-CB 3.24Å; F135-S139 PolarHBondContact O-N 3.4Å; F135-S139 PolarHBondContact O-OG 3.25Å; F136-S139 PolarHBondContact O-N 3.23Å; F137-S139 PolarHBondContact O-N 2.94Å; S139-K142 CarbonylContact O-C 3.55Å; S139-K142 WeakPolarHBondContact O-CA 3.37Å; S139-K142 PolarHBondContact O-N 3.12Å; S139-K142 VanDerWaalsContact O-N 3.14Å; S139-A143 WeakPolarHBondContact O-CA 3.34Å; S139-A143 WeakPolarHBondContact O-CB 3.45Å; S139-A143 PolarHBondContact O-N 3.31Å |
| 140 | W | 65.2 | Low | 63.9 | Low | 120 Ų | 120 | 89.9 Ų | 89.9 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 177.1 | -174.4 | -82.6 | 0 | 0 | 0 | 112.6 | F136 F137 K142 A143 L149 | F136-W140 HydrophobicContact CE1-CB 4.5Å; F136-W140 HydrophobicContact CE1-CD2 4.38Å; F136-W140 AromaticContact CE1-CE3 3.8Å; F136-W140 HydrophobicContact CE1-CE3 3.8Å; F136-W140 HydrophobicContact CE1-CZ3 4.47Å; F136-W140 AromaticContact CZ-CE3 4Å; F136-W140 HydrophobicContact CZ-CE3 4Å; F136-W140 HydrophobicContact CZ-CZ3 4.3Å; F136-W140 WeakPolarHBondContact O-CB 3.31Å; F136-W140 PolarHBondContact O-N 3.32Å; F137-W140 PolarHBondContact O-N 3.41Å; F137-W140 VanDerWaalsContact O-N 3.09Å; W140-K142 PolarHBondContact O-N 2.91Å; W140-A143 WeakPolarHBondContact O-CB 3.37Å; W140-A143 PolarHBondContact O-N 3.49Å; W140-L149 HydrophobicContact CZ3-CD1 4.4Å |
| 141 | D | 62.1 | Low | 63.8 | Low | 131 Ų | 131 | 95.9 Ų | 95.9 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -30.6 | 175 | -77.9 | -15.1 | 0 | 0 | 0 | 112 | F137 | F137-D141 PolarHBondContact O-N 3.05Å |
| 142 | K | 64 | Low | 63.5 | Low | 141 Ų | 141 | 93 Ų | 93 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -84.5 | -18.1 | 173.3 | -68.2 | -178.4 | 177 | -169.9 | 0 | 113.1 | R138 S139 W140 H144 T148 | R138-K142 WeakPolarHBondContact O-CG 3.19Å; S139-K142 CarbonylContact O-C 3.55Å; S139-K142 WeakPolarHBondContact O-CA 3.37Å; S139-K142 PolarHBondContact O-N 3.12Å; S139-K142 VanDerWaalsContact O-N 3.14Å; W140-K142 PolarHBondContact O-N 2.91Å; K142-H144 PolarHBondContact O-N 3.49Å; K142-H144 VanDerWaalsContact O-N 3.12Å; K142-T148 PolarHBondContact O-OG1 2.93Å |
| 143 | A | 59.9 | Low | 63.3 | Low | 17 Ų | 17 | 92.8 Ų | 92.8 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 11 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S139 W140 S145 T148 | S139-A143 WeakPolarHBondContact O-CA 3.34Å; S139-A143 WeakPolarHBondContact O-CB 3.45Å; S139-A143 PolarHBondContact O-N 3.31Å; W140-A143 WeakPolarHBondContact O-CB 3.37Å; W140-A143 PolarHBondContact O-N 3.49Å; A143-S145 CarbonylContact O-C 2.98Å; A143-S145 PolarHBondContact O-N 3.26Å; A143-S145 VanDerWaalsContact O-O 3.12Å; A143-T148 WeakPolarHBondContact CA-OG1 3.04Å |
| 144 | H | 58.7 | Low | 63.4 | Low | 189 Ų | 189 | 95.4 Ų | 95.4 | 88% | 0.875 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.3 | 172.5 | -113.6 | -5.9 | 0 | 0 | 0 | 113.8 | K142 | K142-H144 PolarHBondContact O-N 3.49Å; K142-H144 VanDerWaalsContact O-N 3.12Å |
| 145 | S | 64.2 | Low | 63.3 | Low | 62 Ų | 62 | 95.8 Ų | 95.8 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -95.5 | 132.3 | 165 | 83.4 | 0 | 0 | 0 | 0 | 111.2 | A143 Q147 T148 | A143-S145 CarbonylContact O-C 2.98Å; A143-S145 PolarHBondContact O-N 3.26Å; A143-S145 VanDerWaalsContact O-O 3.12Å; S145-Q147 PolarHBondContact O-N 2.99Å; S145-T148 PolarHBondContact O-N 3.27Å; S145-T148 PolarHBondContact O-OG1 3.15Å; S145-T148 PolarHBondContact OG-OG1 3.48Å |
| 146 | A | 62.1 | Low | 63.2 | Low | 92 Ų | 92 | 93.2 Ų | 93.2 | 76% | 0.76 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -55.2 | -26 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T148 L149 | A146-T148 VanDerWaalsContact C-N 3.31Å; A146-T148 PolarHBondContact O-N 2.95Å; A146-L149 PolarHBondContact O-N 2.98Å |
| 147 | Q | 65.5 | Low | 62.8 | Low | 157 Ų | 157 | 96.2 Ų | 96.2 | 73% | 0.734 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.2 | -26.1 | 178.8 | -75.5 | -175.4 | -15 | 0 | 0 | 114 | S145 S150 | S145-Q147 PolarHBondContact O-N 2.99Å; Q147-S150 PolarHBondContact O-OG 2.86Å |
| 148 | T | 58.6 | Low | 63 | Low | 54 Ų | 54 | 101 Ų | 101 | 33% | 0.331 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -82.3 | -27.6 | 179.9 | 21.3 | 0 | 0 | 0 | 0 | 112.7 | K142 A143 S145 A146 F152 | K142-T148 PolarHBondContact O-OG1 2.93Å; A143-T148 WeakPolarHBondContact CA-OG1 3.04Å; S145-T148 PolarHBondContact O-N 3.27Å; S145-T148 PolarHBondContact O-OG1 3.15Å; S145-T148 PolarHBondContact OG-OG1 3.48Å; A146-T148 VanDerWaalsContact C-N 3.31Å; A146-T148 PolarHBondContact O-N 2.95Å; T148-F152 WeakPolarHBondContact O-CB 3.47Å; T148-F152 PolarHBondContact O-N 3.24Å |
| 149 | L | 59.7 | Low | 62.5 | Low | 81 Ų | 81 | 99.1 Ų | 99.1 | 42% | 0.424 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 176.9 | -163.6 | 88.6 | 0 | 0 | 0 | 112.3 | W140 A146 F152 V153 | W140-L149 HydrophobicContact CZ3-CD1 4.4Å; A146-L149 PolarHBondContact O-N 2.98Å; L149-F152 VanDerWaalsContact O-CB 3.31Å; L149-F152 WeakPolarHBondContact O-CB 3.35Å; L149-F152 PolarHBondContact O-N 3.32Å; L149-V153 PolarHBondContact O-N 3.34Å; L149-V153 VanDerWaalsContact O-N 3.09Å |
| 150 | S | 61 | Low | 61.7 | Low | 69 Ų | 69 | 102.2 Ų | 102.2 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | -179 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | Q147 F152 V153 L154 | Q147-S150 PolarHBondContact O-OG 2.86Å; S150-F152 PolarHBondContact O-N 3.02Å; S150-V153 PolarHBondContact O-N 3.24Å; S150-L154 PolarHBondContact O-N 3Å |
| 151 | K | 60.7 | Low | 60.8 | Low | 151 Ų | 151 | 103.4 Ų | 103.4 | 66% | 0.657 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.7 | -29.9 | 172.2 | -70.7 | -176 | 179.2 | -179.4 | 0 | 111.8 | I155 | K151-I155 WeakPolarHBondContact O-CG1 3.37Å; K151-I155 PolarHBondContact O-N 3.45Å |
| 152 | F | 59.8 | Low | 60.7 | Low | 32 Ų | 32 | 102.1 Ų | 102.1 | 14% | 0.14 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -74.8 | -44.2 | -179.4 | -172.6 | -99.8 | 0 | 0 | 0 | 113.3 | F136 T148 L149 S150 L154 I155 I156 | F136-F152 HydrophobicContact CB-CE2 4.42Å; F136-F152 HydrophobicContact CB-CZ 3.89Å; F136-F152 HydrophobicContact CD1-CZ 4.45Å; F136-F152 AromaticContact CD2-CE1 3.42Å; F136-F152 HydrophobicContact CD2-CE1 3.42Å; F136-F152 VanDerWaalsContact CD2-CE1 3.42Å; F136-F152 HydrophobicContact CD2-CE2 4.32Å; F136-F152 AromaticContact CD2-CZ 3.11Å; F136-F152 HydrophobicContact CD2-CZ 3.11Å; F136-F152 AromaticContact CE2-CE1 3.32Å; F136-F152 HydrophobicContact CE2-CE1 3.32Å; F136-F152 AromaticContact CE2-CZ 3.6Å; F136-F152 HydrophobicContact CE2-CZ 3.6Å; F136-F152 HydrophobicContact CG-CE1 4.12Å; F136-F152 HydrophobicContact CG-CE2 4.46Å; F136-F152 AromaticContact CG-CZ 3.55Å; F136-F152 HydrophobicContact CG-CZ 3.55Å; F136-F152 HydrophobicContact CZ-CE1 4.03Å; F136-F152 HydrophobicContact CZ-CZ 4.44Å; T148-F152 WeakPolarHBondContact O-CB 3.47Å; T148-F152 PolarHBondContact O-N 3.24Å; L149-F152 VanDerWaalsContact O-CB 3.31Å; L149-F152 WeakPolarHBondContact O-CB 3.35Å; L149-F152 PolarHBondContact O-N 3.32Å; S150-F152 PolarHBondContact O-N 3.02Å; F152-L154 PolarHBondContact O-N 3.43Å; F152-I155 PolarHBondContact O-N 3.41Å; F152-I156 HydrophobicContact CD1-CD1 4.11Å; F152-I156 HydrophobicContact CE1-CD1 3.35Å; F152-I156 HydrophobicContact CE1-CG1 4.2Å; F152-I156 HydrophobicContact CZ-CD1 3.71Å; F152-I156 HydrophobicContact CZ-CG1 4.24Å; F152-I156 PolarHBondContact O-N 3.15Å |
| 153 | V | 62.9 | Low | 60.6 | Low | 78 Ų | 78 | 100 Ų | 100 | 47% | 0.473 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.9 | -37.8 | 173.6 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L149 S150 I156 L157 | L149-V153 PolarHBondContact O-N 3.34Å; L149-V153 VanDerWaalsContact O-N 3.09Å; S150-V153 PolarHBondContact O-N 3.24Å; V153-I156 PolarHBondContact O-N 3.15Å; V153-L157 HydrophobicContact CG1-CD1 3.92Å; V153-L157 PolarHBondContact O-N 3.43Å |
| 154 | L | 66 | Low | 60.6 | Low | 93 Ų | 93 | 104.6 Ų | 104.6 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.5 | -44.3 | 175.8 | -86.8 | 158.2 | 0 | 0 | 0 | 112.9 | S150 F152 I156 L157 F158 | S150-L154 PolarHBondContact O-N 3Å; F152-L154 PolarHBondContact O-N 3.43Å; L154-I156 VanDerWaalsContact C-N 3.34Å; L154-I156 PolarHBondContact O-N 2.84Å; L154-L157 PolarHBondContact O-N 3.41Å; L154-F158 HydrophobicContact CD2-CD2 4.41Å; L154-F158 HydrophobicContact CD2-CE2 4.03Å; L154-F158 VanDerWaalsContact O-CD2 3.31Å; L154-F158 WeakPolarHBondContact O-CD2 3.31Å; L154-F158 PolarHBondContact O-N 3.21Å |
| 155 | I | 67.3 | Low | 60.7 | Low | 104 Ų | 104 | 99.6 Ų | 99.6 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.2 | -37.2 | -179.4 | -66.6 | 166.2 | 0 | 0 | 0 | 111.3 | K151 F152 N159 | K151-I155 WeakPolarHBondContact O-CG1 3.37Å; K151-I155 PolarHBondContact O-N 3.45Å; F152-I155 PolarHBondContact O-N 3.41Å; I155-N159 PolarHBondContact O-N 3.12Å; I155-N159 VanDerWaalsContact O-N 3.15Å |
| 156 | I | 63.4 | Low | 60.5 | Low | 77 Ų | 77 | 102 Ų | 102 | 40% | 0.395 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.3 | -45.8 | 174.9 | -65.7 | 178.3 | 0 | 0 | 0 | 110.7 | F136 F152 V153 L154 F158 N159 C160 | F136-I156 HydrophobicContact CD2-CD1 4.25Å; F136-I156 HydrophobicContact CE2-CD1 4.15Å; F152-I156 HydrophobicContact CD1-CD1 4.11Å; F152-I156 HydrophobicContact CE1-CD1 3.35Å; F152-I156 HydrophobicContact CE1-CG1 4.2Å; F152-I156 HydrophobicContact CZ-CD1 3.71Å; F152-I156 HydrophobicContact CZ-CG1 4.24Å; F152-I156 PolarHBondContact O-N 3.15Å; V153-I156 PolarHBondContact O-N 3.15Å; L154-I156 VanDerWaalsContact C-N 3.34Å; L154-I156 PolarHBondContact O-N 2.84Å; I156-F158 VanDerWaalsContact C-N 3.28Å; I156-F158 PolarHBondContact O-N 3.16Å; I156-N159 PolarHBondContact O-N 3.18Å; I156-C160 PolarHBondContact O-N 3.3Å |
| 157 | L | 61.2 | Low | 60.4 | Low | 117 Ų | 117 | 102.7 Ų | 102.7 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.6 | -39.8 | 177.7 | -82.3 | 164.2 | 0 | 0 | 0 | 112.1 | V153 L154 | V153-L157 HydrophobicContact CG1-CD1 3.92Å; V153-L157 PolarHBondContact O-N 3.43Å; L154-L157 PolarHBondContact O-N 3.41Å |
| 158 | F | 67.4 | Low | 60 | Low | 147 Ų | 147 | 98.8 Ų | 98.8 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.5 | -26.5 | -179.8 | -89.2 | -70.6 | 0 | 0 | 0 | 114.7 | L154 I156 S161 | L154-F158 HydrophobicContact CD2-CD2 4.41Å; L154-F158 HydrophobicContact CD2-CE2 4.03Å; L154-F158 VanDerWaalsContact O-CD2 3.31Å; L154-F158 WeakPolarHBondContact O-CD2 3.31Å; L154-F158 PolarHBondContact O-N 3.21Å; I156-F158 VanDerWaalsContact C-N 3.28Å; I156-F158 PolarHBondContact O-N 3.16Å; F158-S161 PolarHBondContact O-OG 3.36Å |
| 159 | N | 57.2 | Low | 60.1 | Low | 124 Ų | 124 | 102.2 Ų | 102.2 | 66% | 0.663 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -90.4 | -7.4 | 177.5 | -86.3 | -9.4 | 0 | 0 | 0 | 113.7 | I155 I156 | I155-N159 PolarHBondContact O-N 3.12Å; I155-N159 VanDerWaalsContact O-N 3.15Å; I156-N159 PolarHBondContact O-N 3.18Å |
| 160 | C | 48.7 | Very low | 60.2 | Low | 111 Ų | 111 | 104 Ų | 104 | 75% | 0.75 | 57% | 0.571 | S | S | * | * | trans | -95.5 | -4.2 | 174.8 | -78.8 | 0 | 0 | 0 | 0 | 113.9 | I156 | I156-C160 PolarHBondContact O-N 3.3Š| ||
| 161 | S | 46.5 | Very low | 60.1 | Low | 145 Ų | 145 | 107.2 Ų | 107.2 | 100% | 1.014 | 58% | 0.579 | S | S | * | * | trans | -91.5 | 0 | 164.5 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | F158 | F158-S161 PolarHBondContact O-OG 3.36Š|
Retrieved 161 of 161 residues in 152.2 ms
(Link to these results)