| 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 | 66.6 | Low | 91.6 | Very high | 168 Ų | 168 | 98.7 Ų | 98.7 | 83% | 0.828 | 56% | 0.556 | S | S | * | * | 0 | 133.3 | 0 | -71.6 | 165.4 | 69.7 | 0 | 0 | 107.9 | I6 | M1-I6 HydrophobicContact CB-CD1 3.91Å; M1-I6 HydrophobicContact CB-CG1 3.51Å; M1-I6 HydrophobicContact CE-CG1 3.98Å; M1-I6 HydrophobicContact SD-CG1 4.34Å | |||
| 2 | N | 91.6 | Very high | 91.9 | Very high | 132 Ų | 132 | 96.8 Ų | 96.8 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | trans | -56.5 | 143.5 | 174.5 | -80.8 | -5.8 | 0 | 0 | 0 | 110.2 | H4 A5 I6 | N2-H4 PolarHBondContact O-N 3.15Å; N2-A5 HydrophobicContact CB-CB 4.29Å; N2-A5 WeakPolarHBondContact O-CA 3.48Å; N2-A5 WeakPolarHBondContact O-CB 3.32Å; N2-A5 PolarHBondContact O-N 3.31Å; N2-I6 PolarHBondContact O-N 2.84Å | ||
| 3 | G | 93.8 | Very high | 92.2 | Very high | 59 Ų | 59 | 98.8 Ų | 98.8 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -53.4 | -39.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I6 L7 | G3-I6 PolarHBondContact O-N 3.47Å; G3-L7 PolarHBondContact O-N 3.19Å; G3-L7 VanDerWaalsContact O-N 3.11Å |
| 4 | H | 92.1 | Very high | 92.5 | Very high | 134 Ų | 134 | 95.4 Ų | 95.4 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 173.7 | -64.7 | -63.7 | 0 | 0 | 0 | 113.4 | N2 I6 L7 Y8 | N2-H4 PolarHBondContact O-N 3.15Å; H4-I6 VanDerWaalsContact C-N 3.31Å; H4-I6 PolarHBondContact O-N 3.11Å; H4-L7 WeakPolarHBondContact O-CB 3.46Å; H4-L7 PolarHBondContact O-N 3.4Å; H4-Y8 HydrophobicContact CB-CD2 4.47Å; H4-Y8 HydrophobicContact CB-CE2 3.92Å; H4-Y8 WeakPolarHBondContact O-CD2 3.48Å; H4-Y8 PolarHBondContact O-N 3.4Å |
| 5 | A | 93.9 | Very high | 92.8 | Very high | 40 Ų | 40 | 96.9 Ų | 96.9 | 33% | 0.331 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | N2 L7 Y8 T9 | N2-A5 HydrophobicContact CB-CB 4.29Å; N2-A5 WeakPolarHBondContact O-CA 3.48Å; N2-A5 WeakPolarHBondContact O-CB 3.32Å; N2-A5 PolarHBondContact O-N 3.31Å; A5-L7 VanDerWaalsContact C-N 3.33Å; A5-L7 PolarHBondContact O-N 3.44Å; A5-Y8 PolarHBondContact O-N 3.05Å; A5-T9 WeakPolarHBondContact O-CB 3.48Å; A5-T9 PolarHBondContact O-N 3.19Å; A5-T9 PolarHBondContact O-OG1 3.35Å |
| 6 | I | 94.8 | Very high | 93 | Very high | 91 Ų | 91 | 100.8 Ų | 100.8 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.5 | -62 | 172.4 | 0 | 0 | 0 | 110.6 | M1 N2 G3 H4 G10 | M1-I6 HydrophobicContact CB-CD1 3.91Å; M1-I6 HydrophobicContact CB-CG1 3.51Å; M1-I6 HydrophobicContact CE-CG1 3.98Å; M1-I6 HydrophobicContact SD-CG1 4.34Å; N2-I6 PolarHBondContact O-N 2.84Å; G3-I6 PolarHBondContact O-N 3.47Å; H4-I6 VanDerWaalsContact C-N 3.31Å; H4-I6 PolarHBondContact O-N 3.11Å; I6-G10 PolarHBondContact O-N 3.47Å |
| 7 | L | 95 | Very high | 93.2 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 177.6 | -179.8 | 65.5 | 0 | 0 | 0 | 111.8 | G3 H4 A5 G10 V11 | G3-L7 PolarHBondContact O-N 3.19Å; G3-L7 VanDerWaalsContact O-N 3.11Å; H4-L7 WeakPolarHBondContact O-CB 3.46Å; H4-L7 PolarHBondContact O-N 3.4Å; A5-L7 VanDerWaalsContact C-N 3.33Å; A5-L7 PolarHBondContact O-N 3.44Å; L7-G10 PolarHBondContact O-N 2.93Å; L7-V11 HydrophobicContact CD1-CG2 4.19Å; L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 3.09Å |
| 8 | Y | 94.8 | Very high | 93.3 | Very high | 151 Ų | 151 | 96.9 Ų | 96.9 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | -179.9 | -60.7 | -52.8 | 0 | 0 | 0 | 111.7 | H4 A5 G10 V11 T12 | H4-Y8 HydrophobicContact CB-CD2 4.47Å; H4-Y8 HydrophobicContact CB-CE2 3.92Å; H4-Y8 WeakPolarHBondContact O-CD2 3.48Å; H4-Y8 PolarHBondContact O-N 3.4Å; A5-Y8 PolarHBondContact O-N 3.05Å; Y8-G10 VanDerWaalsContact C-N 3.32Å; Y8-G10 PolarHBondContact O-N 2.98Å; Y8-V11 PolarHBondContact O-N 3.33Å; Y8-T12 WeakPolarHBondContact O-CB 3.4Å; Y8-T12 PolarHBondContact O-N 2.92Å; Y8-T12 PolarHBondContact O-OG1 2.98Å |
| 9 | T | 94 | Very high | 93.4 | Very high | 81 Ų | 81 | 95.7 Ų | 95.7 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 176.6 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | A5 L13 | A5-T9 WeakPolarHBondContact O-CB 3.48Å; A5-T9 PolarHBondContact O-N 3.19Å; A5-T9 PolarHBondContact O-OG1 3.35Å; T9-L13 WeakPolarHBondContact O-CB 2.98Å; T9-L13 PolarHBondContact O-N 3.13Å |
| 10 | G | 95.4 | Very high | 93.6 | Very high | 38 Ų | 38 | 96.6 Ų | 96.6 | 39% | 0.392 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I6 L7 Y8 L13 A14 | I6-G10 PolarHBondContact O-N 3.47Å; L7-G10 PolarHBondContact O-N 2.93Å; Y8-G10 VanDerWaalsContact C-N 3.32Å; Y8-G10 PolarHBondContact O-N 2.98Å; G10-L13 PolarHBondContact O-N 2.96Å; G10-A14 WeakPolarHBondContact O-CB 3.44Å; G10-A14 PolarHBondContact O-N 3.46Å |
| 11 | V | 96.1 | Very high | 93.6 | Very high | 88 Ų | 88 | 97 Ų | 97 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L7 Y8 L13 A14 F15 | L7-V11 HydrophobicContact CD1-CG2 4.19Å; L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 3.09Å; Y8-V11 PolarHBondContact O-N 3.33Å; V11-L13 PolarHBondContact O-N 2.98Å; V11-A14 PolarHBondContact O-N 3.37Å; V11-F15 WeakPolarHBondContact O-CB 3.49Å; V11-F15 PolarHBondContact O-N 2.93Å |
| 12 | T | 94.6 | Very high | 95 | Very high | 75 Ų | 75 | 92.2 Ų | 92.2 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | Y8 F15 W16 | Y8-T12 WeakPolarHBondContact O-CB 3.4Å; Y8-T12 PolarHBondContact O-N 2.92Å; Y8-T12 PolarHBondContact O-OG1 2.98Å; T12-F15 PolarHBondContact O-N 2.88Å; T12-W16 PolarHBondContact O-N 3.37Å; T12-W16 VanDerWaalsContact O-N 3.09Å |
| 13 | L | 95.9 | Very high | 95.1 | Very high | 123 Ų | 123 | 87.7 Ų | 87.7 | 64% | 0.644 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 178.2 | -174.2 | 69.4 | 0 | 0 | 0 | 111.9 | T9 G10 V11 F15 W16 S17 | T9-L13 WeakPolarHBondContact O-CB 2.98Å; T9-L13 PolarHBondContact O-N 3.13Å; G10-L13 PolarHBondContact O-N 2.96Å; V11-L13 PolarHBondContact O-N 2.98Å; L13-F15 PolarHBondContact O-N 2.85Å; L13-W16 PolarHBondContact O-N 2.99Å; L13-S17 WeakPolarHBondContact O-CB 3.46Å; L13-S17 PolarHBondContact O-N 3.49Å; L13-S17 PolarHBondContact O-OG 3.3Å |
| 14 | A | 96.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 88.7 Ų | 88.7 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G10 V11 S17 T18 | G10-A14 WeakPolarHBondContact O-CB 3.44Å; G10-A14 PolarHBondContact O-N 3.46Å; V11-A14 PolarHBondContact O-N 3.37Å; A14-S17 WeakPolarHBondContact CA-OG 3.34Å; A14-S17 PolarHBondContact O-OG 2.97Å; A14-T18 WeakPolarHBondContact O-CB 3.34Å; A14-T18 PolarHBondContact O-N 3.26Å; A14-T18 PolarHBondContact O-OG1 2.94Å |
| 15 | F | 96.9 | Very high | 95.2 | Very high | 119 Ų | 119 | 84.6 Ų | 84.6 | 52% | 0.522 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -51.9 | 177.1 | 176.4 | -104.6 | 0 | 0 | 0 | 112 | V11 T12 L13 T18 I19 | V11-F15 WeakPolarHBondContact O-CB 3.49Å; V11-F15 PolarHBondContact O-N 2.93Å; T12-F15 PolarHBondContact O-N 2.88Å; L13-F15 PolarHBondContact O-N 2.85Å; F15-T18 PolarHBondContact O-N 2.94Å; F15-I19 HydrophobicContact CD1-CD1 3.96Å; F15-I19 HydrophobicContact CD2-CD1 4.16Å; F15-I19 HydrophobicContact CE1-CD1 3.38Å; F15-I19 HydrophobicContact CE2-CD1 3.6Å; F15-I19 HydrophobicContact CE2-CG1 4.42Å; F15-I19 HydrophobicContact CG-CD1 4.33Å; F15-I19 HydrophobicContact CZ-CD1 3.19Å; F15-I19 HydrophobicContact CZ-CG1 4.41Å; F15-I19 WeakPolarHBondContact O-CG1 3.31Å; F15-I19 PolarHBondContact O-N 2.99Å |
| 16 | W | 96.3 | Very high | 95.2 | Very high | 159 Ų | 159 | 86.4 Ų | 86.4 | 60% | 0.602 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.6 | -38.9 | -177.8 | -75.3 | 115.4 | 0 | 0 | 0 | 113.5 | T12 L13 T18 I19 L20 | T12-W16 PolarHBondContact O-N 3.37Å; T12-W16 VanDerWaalsContact O-N 3.09Å; L13-W16 PolarHBondContact O-N 2.99Å; W16-T18 VanDerWaalsContact C-N 3.34Å; W16-I19 PolarHBondContact O-N 2.94Å; W16-L20 WeakPolarHBondContact O-CB 3.33Å; W16-L20 PolarHBondContact O-N 3.4Å |
| 17 | S | 96 | Very high | 95.1 | Very high | 52 Ų | 52 | 87 Ų | 87 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | L13 A14 L20 I21 | L13-S17 WeakPolarHBondContact O-CB 3.46Å; L13-S17 PolarHBondContact O-N 3.49Å; L13-S17 PolarHBondContact O-OG 3.3Å; A14-S17 WeakPolarHBondContact CA-OG 3.34Å; A14-S17 PolarHBondContact O-OG 2.97Å; S17-L20 PolarHBondContact O-N 3.42Å; S17-I21 VanDerWaalsContact O-CG1 3.3Å; S17-I21 WeakPolarHBondContact O-CG1 3.37Å; S17-I21 PolarHBondContact O-N 3.13Å; S17-I21 VanDerWaalsContact O-N 3.09Å |
| 18 | T | 96 | Very high | 95.1 | Very high | 79 Ų | 79 | 87.9 Ų | 87.9 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | A14 F15 W16 L20 I21 V22 | A14-T18 WeakPolarHBondContact O-CB 3.34Å; A14-T18 PolarHBondContact O-N 3.26Å; A14-T18 PolarHBondContact O-OG1 2.94Å; F15-T18 PolarHBondContact O-N 2.94Å; W16-T18 VanDerWaalsContact C-N 3.34Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.4Å; T18-I21 PolarHBondContact O-N 3.21Å; T18-V22 HydrophobicContact CG2-CG2 4.28Å; T18-V22 WeakPolarHBondContact O-CB 3.19Å; T18-V22 VanDerWaalsContact O-CG2 3.27Å; T18-V22 WeakPolarHBondContact O-CG2 3.34Å; T18-V22 PolarHBondContact O-N 2.92Å |
| 19 | I | 95.5 | Very high | 95.1 | Very high | 75 Ų | 75 | 87.4 Ų | 87.4 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 176.7 | -78 | 178.9 | 0 | 0 | 0 | 111.8 | F15 W16 I21 V22 G23 | F15-I19 HydrophobicContact CD1-CD1 3.96Å; F15-I19 HydrophobicContact CD2-CD1 4.16Å; F15-I19 HydrophobicContact CE1-CD1 3.38Å; F15-I19 HydrophobicContact CE2-CD1 3.6Å; F15-I19 HydrophobicContact CE2-CG1 4.42Å; F15-I19 HydrophobicContact CG-CD1 4.33Å; F15-I19 HydrophobicContact CZ-CD1 3.19Å; F15-I19 HydrophobicContact CZ-CG1 4.41Å; F15-I19 WeakPolarHBondContact O-CG1 3.31Å; F15-I19 PolarHBondContact O-N 2.99Å; W16-I19 PolarHBondContact O-N 2.94Å; I19-I21 PolarHBondContact O-N 2.66Å; I19-V22 PolarHBondContact O-N 3.35Å; I19-G23 PolarHBondContact O-N 2.96Å |
| 20 | L | 95.8 | Very high | 95 | Very high | 113 Ų | 113 | 90.1 Ų | 90.1 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 178.2 | -175.2 | 77.6 | 0 | 0 | 0 | 110.9 | W16 S17 T18 G23 I24 | W16-L20 WeakPolarHBondContact O-CB 3.33Å; W16-L20 PolarHBondContact O-N 3.4Å; S17-L20 PolarHBondContact O-N 3.42Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.4Å; L20-G23 PolarHBondContact O-N 3.42Å; L20-I24 HydrophobicContact CD1-CD1 4.43Å; L20-I24 HydrophobicContact CG-CD1 3.98Å; L20-I24 VanDerWaalsContact O-CG1 3.25Å; L20-I24 WeakPolarHBondContact O-CG1 3.41Å; L20-I24 PolarHBondContact O-N 3.47Å |
| 21 | I | 95.4 | Very high | 94.9 | Very high | 105 Ų | 105 | 91.2 Ų | 91.2 | 54% | 0.538 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 178.9 | -66.4 | 165 | 0 | 0 | 0 | 110.2 | S17 T18 I19 G23 I24 C25 | S17-I21 VanDerWaalsContact O-CG1 3.3Å; S17-I21 WeakPolarHBondContact O-CG1 3.37Å; S17-I21 PolarHBondContact O-N 3.13Å; S17-I21 VanDerWaalsContact O-N 3.09Å; T18-I21 PolarHBondContact O-N 3.21Å; I19-I21 PolarHBondContact O-N 2.66Å; I21-G23 PolarHBondContact O-N 3.47Å; I21-I24 PolarHBondContact O-N 3.43Å; I21-C25 PolarHBondContact O-N 2.89Å; I21-C25 PolarHBondContact O-SG 3.34Å |
| 22 | V | 95.3 | Very high | 94.5 | Very high | 67 Ų | 67 | 88.7 Ų | 88.7 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 179 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | T18 I19 I24 C25 Y26 | T18-V22 HydrophobicContact CG2-CG2 4.28Å; T18-V22 WeakPolarHBondContact O-CB 3.19Å; T18-V22 VanDerWaalsContact O-CG2 3.27Å; T18-V22 WeakPolarHBondContact O-CG2 3.34Å; T18-V22 PolarHBondContact O-N 2.92Å; I19-V22 PolarHBondContact O-N 3.35Å; V22-I24 PolarHBondContact O-N 3.49Å; V22-C25 PolarHBondContact O-N 2.68Å; V22-Y26 HydrophobicContact CG1-CD2 3.58Å; V22-Y26 HydrophobicContact CG1-CE2 3.55Å; V22-Y26 VanDerWaalsContact O-CD2 3.29Å; V22-Y26 WeakPolarHBondContact O-CD2 3.33Å; V22-Y26 PolarHBondContact O-N 3.13Å |
| 23 | G | 93.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 92.7 Ų | 92.7 | 38% | 0.381 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I19 L20 I21 T27 | I19-G23 PolarHBondContact O-N 2.96Å; L20-G23 PolarHBondContact O-N 3.42Å; I21-G23 PolarHBondContact O-N 3.47Å; G23-T27 WeakPolarHBondContact O-CG2 3.34Å; G23-T27 PolarHBondContact O-N 3.06Å; G23-T27 PolarHBondContact O-OG1 3.08Å; G23-T27 VanDerWaalsContact O-OG1 3.13Å |
| 24 | I | 94.2 | Very high | 94.1 | Very high | 80 Ų | 80 | 94.4 Ų | 94.4 | 41% | 0.41 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174 | -66.9 | 166.3 | 0 | 0 | 0 | 110.5 | L20 I21 V22 Y26 T27 I28 | L20-I24 HydrophobicContact CD1-CD1 4.43Å; L20-I24 HydrophobicContact CG-CD1 3.98Å; L20-I24 VanDerWaalsContact O-CG1 3.25Å; L20-I24 WeakPolarHBondContact O-CG1 3.41Å; L20-I24 PolarHBondContact O-N 3.47Å; I21-I24 PolarHBondContact O-N 3.43Å; V22-I24 PolarHBondContact O-N 3.49Å; I24-Y26 PolarHBondContact O-N 2.94Å; I24-T27 PolarHBondContact O-N 3.41Å; I24-T27 PolarHBondContact O-OG1 3.09Å; I24-I28 HydrophobicContact CG2-CD1 3.46Å; I24-I28 VanDerWaalsContact CG2-CD1 3.46Å; I24-I28 HydrophobicContact CG2-CG1 4.15Å; I24-I28 WeakPolarHBondContact O-CB 3.34Å; I24-I28 WeakPolarHBondContact O-CG1 3.5Å; I24-I28 PolarHBondContact O-N 3.05Å |
| 25 | C | 94.3 | Very high | 93.9 | Very high | 48 Ų | 48 | 99 Ų | 99 | 32% | 0.324 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 177.4 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | I21 V22 T27 I28 F29 | I21-C25 PolarHBondContact O-N 2.89Å; I21-C25 PolarHBondContact O-SG 3.34Å; V22-C25 PolarHBondContact O-N 2.68Å; C25-T27 PolarHBondContact O-N 3.02Å; C25-I28 PolarHBondContact O-N 2.9Å; C25-F29 HydrophobicContact CB-CD2 3.99Å; C25-F29 HydrophobicContact CB-CE2 4.08Å; C25-F29 WeakPolarHBondContact O-CB 3.47Å; C25-F29 WeakPolarHBondContact O-CD2 3.4Å; C25-F29 PolarHBondContact O-N 3.45Å |
| 26 | Y | 93.4 | Very high | 93.8 | Very high | 78 Ų | 78 | 97.3 Ų | 97.3 | 31% | 0.306 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -34.3 | 177.8 | -90.8 | -73.1 | 0 | 0 | 0 | 112.8 | V22 I24 L31 G32 R34 | V22-Y26 HydrophobicContact CG1-CD2 3.58Å; V22-Y26 HydrophobicContact CG1-CE2 3.55Å; V22-Y26 VanDerWaalsContact O-CD2 3.29Å; V22-Y26 WeakPolarHBondContact O-CD2 3.33Å; V22-Y26 PolarHBondContact O-N 3.13Å; I24-Y26 PolarHBondContact O-N 2.94Å; Y26-L31 HydrophobicContact CD1-CB 3.79Å; Y26-L31 WeakPolarHBondContact CD1-O 3.5Å; Y26-L31 HydrophobicContact CE1-CB 4.24Å; Y26-L31 CarbonylContact O-C 3.6Å; Y26-L31 PolarHBondContact O-N 3.15Å; Y26-G32 PolarHBondContact O-N 3.07Å; Y26-G32 VanDerWaalsContact O-N 3.1Å; Y26-R34 HydrophobicContact CE1-CB 4.04Å |
| 27 | T | 93 | Very high | 93.7 | Very high | 104 Ų | 104 | 93.4 Ų | 93.4 | 64% | 0.638 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -80 | -39.3 | 178.3 | 51.7 | 0 | 0 | 0 | 0 | 113 | G23 I24 C25 | G23-T27 WeakPolarHBondContact O-CG2 3.34Å; G23-T27 PolarHBondContact O-N 3.06Å; G23-T27 PolarHBondContact O-OG1 3.08Å; G23-T27 VanDerWaalsContact O-OG1 3.13Å; I24-T27 PolarHBondContact O-N 3.41Å; I24-T27 PolarHBondContact O-OG1 3.09Å; C25-T27 PolarHBondContact O-N 3.02Å |
| 28 | I | 95.4 | Very high | 93.5 | Very high | 123 Ų | 123 | 93.8 Ų | 93.8 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.3 | -38.5 | -179.5 | -68.8 | 177.4 | 0 | 0 | 0 | 112.5 | I24 C25 D30 | I24-I28 HydrophobicContact CG2-CD1 3.46Å; I24-I28 VanDerWaalsContact CG2-CD1 3.46Å; I24-I28 HydrophobicContact CG2-CG1 4.15Å; I24-I28 WeakPolarHBondContact O-CB 3.34Å; I24-I28 WeakPolarHBondContact O-CG1 3.5Å; I24-I28 PolarHBondContact O-N 3.05Å; C25-I28 PolarHBondContact O-N 2.9Å; I28-D30 PolarHBondContact O-N 3.32Å |
| 29 | F | 94.9 | Very high | 93.3 | Very high | 140 Ų | 140 | 97.3 Ų | 97.3 | 61% | 0.614 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 12.2 | -176.8 | -68.1 | -62.2 | 0 | 0 | 0 | 114 | C25 L31 | C25-F29 HydrophobicContact CB-CD2 3.99Å; C25-F29 HydrophobicContact CB-CE2 4.08Å; C25-F29 WeakPolarHBondContact O-CB 3.47Å; C25-F29 WeakPolarHBondContact O-CD2 3.4Å; C25-F29 PolarHBondContact O-N 3.45Å; F29-L31 HydrophobicContact CB-CD1 3.84Å; F29-L31 HydrophobicContact CB-CG 4.31Å; F29-L31 PolarHBondContact O-N 3.12Å; F29-L31 VanDerWaalsContact O-N 3.07Å |
| 30 | D | 90.9 | Very high | 93.2 | Very high | 138 Ų | 138 | 98.9 Ų | 98.9 | 74% | 0.738 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 25.4 | -177.6 | -155.3 | 30.3 | 0 | 0 | 0 | 113.5 | I28 G32 F33 | I28-D30 PolarHBondContact O-N 3.32Å; D30-G32 VanDerWaalsContact C-N 3.29Å; D30-F33 WeakPolarHBondContact O-CD1 3.42Å; D30-F33 WeakPolarHBondContact O-CE1 3.42Å |
| 31 | L | 93.2 | Very high | 93.1 | Very high | 61 Ų | 61 | 96.4 Ų | 96.4 | 32% | 0.319 | 50% | 0.495 | S | S | . | . | trans | -92.5 | 10.6 | 177.5 | -75.7 | 160.6 | 0 | 0 | 0 | 112 | Y26 F29 F33 R34 | Y26-L31 HydrophobicContact CD1-CB 3.79Å; Y26-L31 WeakPolarHBondContact CD1-O 3.5Å; Y26-L31 HydrophobicContact CE1-CB 4.24Å; Y26-L31 CarbonylContact O-C 3.6Å; Y26-L31 PolarHBondContact O-N 3.15Å; F29-L31 HydrophobicContact CB-CD1 3.84Å; F29-L31 HydrophobicContact CB-CG 4.31Å; F29-L31 PolarHBondContact O-N 3.12Å; F29-L31 VanDerWaalsContact O-N 3.07Å; L31-F33 HydrophobicContact CD2-CE1 4.15Å; L31-F33 HydrophobicContact CD2-CZ 4.21Å; L31-F33 PolarHBondContact O-N 2.92Å; L31-F33 VanDerWaalsContact O-N 3.14Å; L31-R34 HydrophobicContact CD2-CG 4.39Å; L31-R34 WeakPolarHBondContact O-CB 3.44Å; L31-R34 PolarHBondContact O-N 3.41Å | ||
| 32 | G | 88.1 | Confident | 92.9 | Very high | 36 Ų | 36 | 93.8 Ų | 93.8 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -57 | -30.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y26 D30 R34 F35 | Y26-G32 PolarHBondContact O-N 3.07Å; Y26-G32 VanDerWaalsContact O-N 3.1Å; D30-G32 VanDerWaalsContact C-N 3.29Å; G32-R34 PolarHBondContact O-N 2.78Å; G32-R34 VanDerWaalsContact O-N 3.11Å; G32-F35 PolarHBondContact O-N 3Å |
| 33 | F | 90.6 | Very high | 92.6 | Very high | 158 Ų | 158 | 96.2 Ų | 96.2 | 69% | 0.693 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -60.7 | -19.7 | 175.7 | 71.2 | -91.1 | 0 | 0 | 0 | 113.9 | D30 L31 | D30-F33 WeakPolarHBondContact O-CD1 3.42Å; D30-F33 WeakPolarHBondContact O-CE1 3.42Å; L31-F33 HydrophobicContact CD2-CE1 4.15Å; L31-F33 HydrophobicContact CD2-CZ 4.21Å; L31-F33 PolarHBondContact O-N 2.92Å; L31-F33 VanDerWaalsContact O-N 3.14Å |
| 34 | R | 91.8 | Very high | 92.6 | Very high | 160 Ų | 160 | 95.7 Ų | 95.7 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -81.7 | -19.1 | 176.2 | -61.2 | -174.4 | 67.5 | -175.4 | -0.2 | 112.9 | Y26 L31 G32 D36 | Y26-R34 HydrophobicContact CE1-CB 4.04Å; L31-R34 HydrophobicContact CD2-CG 4.39Å; L31-R34 WeakPolarHBondContact O-CB 3.44Å; L31-R34 PolarHBondContact O-N 3.41Å; G32-R34 PolarHBondContact O-N 2.78Å; G32-R34 VanDerWaalsContact O-N 3.11Å; R34-D36 VanDerWaalsContact C-N 3.29Å; R34-D36 PolarHBondContact O-N 3.2Å; R34-D36 VanDerWaalsContact O-N 3.14Å |
| 35 | F | 92.8 | Very high | 92.5 | Very high | 148 Ų | 148 | 94.7 Ų | 94.7 | 65% | 0.649 | 48% | 0.481 | S | S | * | . | trans | -86.5 | 75.1 | 175.9 | -167.5 | -93.3 | 0 | 0 | 0 | 109.2 | G32 V37 | G32-F35 PolarHBondContact O-N 3Å; F35-V37 HydrophobicContact CD1-CG2 4.18Å; F35-V37 HydrophobicContact CE1-CG2 3.71Å | ||
| 36 | D | 93.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 92.4 Ų | 92.4 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | trans | -98.9 | 101.6 | -176.6 | -169.6 | -8 | 0 | 0 | 0 | 111.7 | R34 A38 W39 F40 | R34-D36 VanDerWaalsContact C-N 3.29Å; R34-D36 PolarHBondContact O-N 3.2Å; R34-D36 VanDerWaalsContact O-N 3.14Å; D36-A38 VanDerWaalsContact C-N 3.31Å; D36-A38 WeakPolarHBondContact OD1-CA 3.36Å; D36-A38 VanDerWaalsContact OD1-CB 3.23Å; D36-A38 WeakPolarHBondContact OD1-CB 3.43Å; D36-A38 PolarHBondContact OD1-N 3.21Å; D36-W39 HydrophobicContact CB-CB 3.92Å; D36-W39 PolarHBondContact OD1-N 3.17Å; D36-F40 PolarHBondContact O-N 2.77Å | ||
| 37 | V | 93.8 | Very high | 92.5 | Very high | 77 Ų | 77 | 91.9 Ų | 91.9 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71 | -29.8 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | F35 F40 L41 | F35-V37 HydrophobicContact CD1-CG2 4.18Å; F35-V37 HydrophobicContact CE1-CG2 3.71Å; V37-F40 PolarHBondContact O-N 3.38Å; V37-L41 HydrophobicContact CG1-CD1 4.06Å; V37-L41 HydrophobicContact CG1-CG 4.34Å; V37-L41 WeakPolarHBondContact O-CB 3.44Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 3.05Å |
| 38 | A | 92.1 | Very high | 92.6 | Very high | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.8 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | D36 F40 L41 T42 | D36-A38 VanDerWaalsContact C-N 3.31Å; D36-A38 WeakPolarHBondContact OD1-CA 3.36Å; D36-A38 VanDerWaalsContact OD1-CB 3.23Å; D36-A38 WeakPolarHBondContact OD1-CB 3.43Å; D36-A38 PolarHBondContact OD1-N 3.21Å; A38-F40 VanDerWaalsContact C-N 3.33Å; A38-F40 PolarHBondContact O-N 2.98Å; A38-L41 PolarHBondContact O-N 3.09Å; A38-L41 VanDerWaalsContact O-N 3.15Å; A38-T42 WeakPolarHBondContact O-CG2 3.2Å; A38-T42 PolarHBondContact O-N 2.72Å; A38-T42 PolarHBondContact O-OG1 2.93Å |
| 39 | W | 92.3 | Very high | 92.6 | Very high | 153 Ų | 153 | 86.9 Ų | 86.9 | 58% | 0.58 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56.2 | -45.8 | 174.3 | 179.1 | 75.2 | 0 | 0 | 0 | 112.2 | D36 L41 T42 E43 | D36-W39 HydrophobicContact CB-CB 3.92Å; D36-W39 PolarHBondContact OD1-N 3.17Å; W39-L41 VanDerWaalsContact C-N 3.32Å; W39-L41 PolarHBondContact O-N 3.03Å; W39-T42 PolarHBondContact O-N 2.75Å; W39-T42 PolarHBondContact O-OG1 3.06Å; W39-E43 HydrophobicContact CD2-CB 4.4Å; W39-E43 HydrophobicContact CZ2-CB 4.26Å; W39-E43 HydrophobicContact CZ2-CG 3.88Å; W39-E43 WeakPolarHBondContact O-CB 3.2Å; W39-E43 PolarHBondContact O-N 3.38Å |
| 40 | F | 94.3 | Very high | 92.6 | Very high | 107 Ų | 107 | 80.2 Ų | 80.2 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 177.2 | 174.3 | -101.3 | 0 | 0 | 0 | 112.6 | D36 V37 A38 T44 W49 | D36-F40 PolarHBondContact O-N 2.77Å; V37-F40 PolarHBondContact O-N 3.38Å; A38-F40 VanDerWaalsContact C-N 3.33Å; A38-F40 PolarHBondContact O-N 2.98Å; F40-T44 WeakPolarHBondContact O-CB 3.47Å; F40-T44 PolarHBondContact O-N 3.5Å; F40-T44 PolarHBondContact O-OG1 3.5Å; F40-W49 HydrophobicContact CE1-CZ2 4.29Å |
| 41 | L | 93.7 | Very high | 92.9 | Very high | 61 Ų | 61 | 78.3 Ų | 78.3 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.7 | -35.9 | -178.9 | -72 | 178.6 | 0 | 0 | 0 | 112.6 | V37 A38 W39 W49 Y135 | V37-L41 HydrophobicContact CG1-CD1 4.06Å; V37-L41 HydrophobicContact CG1-CG 4.34Å; V37-L41 WeakPolarHBondContact O-CB 3.44Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 3.05Å; A38-L41 PolarHBondContact O-N 3.09Å; A38-L41 VanDerWaalsContact O-N 3.15Å; W39-L41 VanDerWaalsContact C-N 3.32Å; W39-L41 PolarHBondContact O-N 3.03Å; L41-W49 HydrophobicContact CD2-CZ2 4.45Å; L41-Y135 WeakPolarHBondContact CB-OH 3.39Å; L41-Y135 HydrophobicContact CD2-CE1 4.25Å; L41-Y135 PolarHBondContact O-OH 3.44Å |
| 42 | T | 90.3 | Very high | 93.1 | Very high | 51 Ų | 51 | 79.1 Ų | 79.1 | 31% | 0.313 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -83.8 | -33.9 | -179.5 | 56 | 0 | 0 | 0 | 0 | 113.1 | A38 W39 T44 Y131 | A38-T42 WeakPolarHBondContact O-CG2 3.2Å; A38-T42 PolarHBondContact O-N 2.72Å; A38-T42 PolarHBondContact O-OG1 2.93Å; W39-T42 PolarHBondContact O-N 2.75Å; W39-T42 PolarHBondContact O-OG1 3.06Å; T42-T44 VanDerWaalsContact C-N 3.34Å; T42-Y131 WeakPolarHBondContact O-CE1 3.35Å; T42-Y131 PolarHBondContact O-OH 3.47Å |
| 43 | E | 89.9 | Confident | 93.6 | Very high | 118 Ų | 118 | 77.4 Ų | 77.4 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -74.7 | -31.2 | 179.3 | -165.7 | 65.7 | -153.7 | 0 | 0 | 111.3 | W39 S45 | W39-E43 HydrophobicContact CD2-CB 4.4Å; W39-E43 HydrophobicContact CZ2-CB 4.26Å; W39-E43 HydrophobicContact CZ2-CG 3.88Å; W39-E43 WeakPolarHBondContact O-CB 3.2Å; W39-E43 PolarHBondContact O-N 3.38Å; E43-S45 PolarHBondContact O-N 2.97Å |
| 44 | T | 92.9 | Very high | 93.9 | Very high | 25 Ų | 25 | 71 Ų | 71 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -72.1 | 124.9 | 178.4 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | F40 T42 M48 W49 | F40-T44 WeakPolarHBondContact O-CB 3.47Å; F40-T44 PolarHBondContact O-N 3.5Å; F40-T44 PolarHBondContact O-OG1 3.5Å; T42-T44 VanDerWaalsContact C-N 3.34Å; T44-M48 HydrophobicContact CG2-CB 4.45Å; T44-M48 HydrophobicContact CG2-CE 3.2Å; T44-M48 HydrophobicContact CG2-SD 3.74Å; T44-W49 HydrophobicContact CG2-CZ2 4.45Å |
| 45 | S | 91.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | trans | -60.3 | 136.1 | -176.1 | 70.8 | 0 | 0 | 0 | 0 | 113.1 | E43 F47 M48 | E43-S45 PolarHBondContact O-N 2.97Å; S45-F47 PolarHBondContact O-N 3.26Å; S45-M48 WeakPolarHBondContact O-CB 3.44Å; S45-M48 PolarHBondContact O-N 3.49Å; S45-M48 PolarHBondContact OG-N 2.83Å | ||
| 46 | P | 93.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57 | -29.4 | 172.4 | -27.6 | 34.7 | 0 | 0 | 0 | 113.8 | M48 W49 A50 F118 I126 Y131 M203 | P46-M48 VanDerWaalsContact C-N 3.3Å; P46-M48 PolarHBondContact O-N 3.38Å; P46-W49 PolarHBondContact O-N 3.44Å; P46-A50 PolarHBondContact O-N 3.15Å; P46-F118 HydrophobicContact CB-CE1 4.37Å; P46-F118 HydrophobicContact CB-CZ 4.31Å; P46-F118 HydrophobicContact CG-CE1 4.48Å; P46-F118 HydrophobicContact CG-CZ 4.02Å; P46-I126 HydrophobicContact CG-CG2 4.04Å; P46-Y131 HydrophobicContact CG-CD1 3.73Å; P46-Y131 HydrophobicContact CG-CE1 3.79Å; P46-Y131 HydrophobicContact CG-CG 4.33Å; P46-M203 HydrophobicContact CB-CE 4.06Å |
| 47 | F | 93.9 | Very high | 94.6 | Very high | 66 Ų | 66 | 56 Ų | 56 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 175.4 | -67 | -66.1 | 0 | 0 | 0 | 112.8 | S45 W49 A50 N51 F118 M203 | S45-F47 PolarHBondContact O-N 3.26Å; F47-W49 VanDerWaalsContact C-N 3.34Å; F47-W49 PolarHBondContact O-N 3.31Å; F47-A50 PolarHBondContact O-N 3.06Å; F47-N51 VanDerWaalsContact O-CB 3.26Å; F47-N51 WeakPolarHBondContact O-CB 3.25Å; F47-N51 VanDerWaalsContact O-CG 3.29Å; F47-N51 PolarHBondContact O-N 3.3Å; F47-N51 PolarHBondContact O-ND2 3.46Å; F47-N51 VanDerWaalsContact O-ND2 3.09Å; F47-F118 HydrophobicContact CD2-CE1 4.25Å; F47-F118 HydrophobicContact CD2-CZ 4.01Å; F47-F118 HydrophobicContact CE1-CD1 4.38Å; F47-F118 HydrophobicContact CE1-CE1 4.12Å; F47-F118 HydrophobicContact CE2-CD1 4.07Å; F47-F118 HydrophobicContact CE2-CD2 4.39Å; F47-F118 AromaticContact CE2-CE1 3.54Å; F47-F118 HydrophobicContact CE2-CE1 3.54Å; F47-F118 AromaticContact CE2-CE2 3.87Å; F47-F118 HydrophobicContact CE2-CE2 3.87Å; F47-F118 HydrophobicContact CE2-CG 4.47Å; F47-F118 AromaticContact CE2-CZ 3.42Å; F47-F118 HydrophobicContact CE2-CZ 3.42Å; F47-F118 VanDerWaalsContact CE2-CZ 3.42Å; F47-F118 AromaticContact CZ-CD1 3.63Å; F47-F118 HydrophobicContact CZ-CD1 3.63Å; F47-F118 AromaticContact CZ-CE1 3.45Å; F47-F118 HydrophobicContact CZ-CE1 3.45Å; F47-F118 VanDerWaalsContact CZ-CE1 3.45Å; F47-F118 HydrophobicContact CZ-CE2 4.39Å; F47-F118 HydrophobicContact CZ-CG 4.21Å; F47-F118 AromaticContact CZ-CZ 3.86Å; F47-F118 HydrophobicContact CZ-CZ 3.86Å; F47-M203 HydrophobicContact CD1-CE 3.41Å; F47-M203 VanDerWaalsContact CD1-CE 3.41Å; F47-M203 HydrophobicContact CE1-CE 3.43Å; F47-M203 VanDerWaalsContact CE1-CE 3.43Å; F47-M203 HydrophobicContact CG-CE 4.05Å; F47-M203 HydrophobicContact CZ-CE 4.08Å |
| 48 | M | 95.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 55.2 Ų | 55.2 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.7 | -172.2 | -169.2 | 79.7 | 0 | 0 | 110.5 | T44 S45 P46 L52 | T44-M48 HydrophobicContact CG2-CB 4.45Å; T44-M48 HydrophobicContact CG2-CE 3.2Å; T44-M48 HydrophobicContact CG2-SD 3.74Å; S45-M48 WeakPolarHBondContact O-CB 3.44Å; S45-M48 PolarHBondContact O-N 3.49Å; S45-M48 PolarHBondContact OG-N 2.83Å; P46-M48 VanDerWaalsContact C-N 3.3Å; P46-M48 PolarHBondContact O-N 3.38Å; M48-L52 WeakPolarHBondContact O-CB 3.34Å; M48-L52 PolarHBondContact O-N 3.09Å |
| 49 | W | 96 | Very high | 95.1 | Very high | 37 Ų | 37 | 54.9 Ų | 54.9 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 179.2 | -64 | 108.8 | 0 | 0 | 0 | 112 | F40 L41 T44 P46 F47 G53 Y135 F138 | F40-W49 HydrophobicContact CE1-CZ2 4.29Å; L41-W49 HydrophobicContact CD2-CZ2 4.45Å; T44-W49 HydrophobicContact CG2-CZ2 4.45Å; P46-W49 PolarHBondContact O-N 3.44Å; F47-W49 VanDerWaalsContact C-N 3.34Å; F47-W49 PolarHBondContact O-N 3.31Å; W49-G53 PolarHBondContact O-N 2.98Å; W49-Y135 HydrophobicContact CB-CD1 4.49Å; W49-Y135 AromaticContact CD1-CE1 3.62Å; W49-Y135 HydrophobicContact CD2-CD1 4.24Å; W49-Y135 HydrophobicContact CD2-CE1 4.16Å; W49-Y135 AromaticContact CE2-CE1 3.88Å; W49-Y135 HydrophobicContact CG-CD1 4.02Å; W49-Y135 HydrophobicContact CG-CE1 4Å; W49-Y135 AromaticContact NE1-CE1 3.53Å; W49-F138 HydrophobicContact CB-CB 4.01Å; W49-F138 HydrophobicContact CE3-CB 4.32Å; W49-F138 AromaticContact CE3-CD1 3.58Å; W49-F138 HydrophobicContact CE3-CD1 3.58Å; W49-F138 AromaticContact CE3-CD2 3.92Å; W49-F138 HydrophobicContact CE3-CD2 3.92Å; W49-F138 AromaticContact CE3-CE1 3.73Å; W49-F138 HydrophobicContact CE3-CE1 3.73Å; W49-F138 HydrophobicContact CE3-CE2 4.08Å; W49-F138 AromaticContact CE3-CG 3.67Å; W49-F138 HydrophobicContact CE3-CG 3.67Å; W49-F138 AromaticContact CE3-CZ 3.97Å; W49-F138 HydrophobicContact CE3-CZ 3.97Å; W49-F138 AromaticContact CZ3-CD1 3.89Å; W49-F138 HydrophobicContact CZ3-CD1 3.89Å; W49-F138 AromaticContact CZ3-CE1 3.56Å; W49-F138 HydrophobicContact CZ3-CE1 3.56Å; W49-F138 HydrophobicContact CZ3-CE2 4.28Å; W49-F138 HydrophobicContact CZ3-CG 4.36Å; W49-F138 AromaticContact CZ3-CZ 3.77Å; W49-F138 HydrophobicContact CZ3-CZ 3.77Å; W49-F138 WeakPolarHBondContact O-CB 3.32Å |
| 50 | A | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -52.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P46 F47 L52 G53 I54 M137 M203 | P46-A50 PolarHBondContact O-N 3.15Å; F47-A50 PolarHBondContact O-N 3.06Å; A50-L52 PolarHBondContact O-N 3.21Å; A50-G53 PolarHBondContact O-N 3.09Å; A50-G53 VanDerWaalsContact O-N 3.17Å; A50-I54 WeakPolarHBondContact O-CG1 3.34Å; A50-I54 PolarHBondContact O-N 3.28Å; A50-M137 HydrophobicContact CB-CB 4.13Å; A50-M137 HydrophobicContact CB-SD 3.62Å; A50-M203 HydrophobicContact CB-SD 4.33Å |
| 51 | N | 96.5 | Very high | 95.5 | Very high | 97 Ų | 97 | 44 Ų | 44 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -37.6 | -176.9 | -69.2 | -35.4 | 0 | 0 | 0 | 112.2 | F47 G53 I54 G55 | F47-N51 VanDerWaalsContact O-CB 3.26Å; F47-N51 WeakPolarHBondContact O-CB 3.25Å; F47-N51 VanDerWaalsContact O-CG 3.29Å; F47-N51 PolarHBondContact O-N 3.3Å; F47-N51 PolarHBondContact O-ND2 3.46Å; F47-N51 VanDerWaalsContact O-ND2 3.09Å; N51-G53 VanDerWaalsContact C-N 3.32Å; N51-I54 PolarHBondContact O-N 2.96Å; N51-G55 PolarHBondContact O-N 2.81Å |
| 52 | L | 97.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 44.5 Ų | 44.5 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -41 | 173.3 | -175.9 | 61.5 | 0 | 0 | 0 | 110.8 | M48 A50 G55 L56 F138 | M48-L52 WeakPolarHBondContact O-CB 3.34Å; M48-L52 PolarHBondContact O-N 3.09Å; A50-L52 PolarHBondContact O-N 3.21Å; L52-G55 PolarHBondContact O-N 3.48Å; L52-L56 HydrophobicContact CD1-CD1 3.99Å; L52-L56 HydrophobicContact CD1-CG 4.04Å; L52-L56 HydrophobicContact CD2-CD1 4.49Å; L52-L56 HydrophobicContact CG-CD1 3.83Å; L52-L56 HydrophobicContact CG-CG 4.27Å; L52-L56 VanDerWaalsContact O-CB 3.31Å; L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.35Å; L52-L56 PolarHBondContact O-N 3.35Å; L52-F138 HydrophobicContact CB-CD2 4.36Å; L52-F138 HydrophobicContact CB-CE2 4.39Å; L52-F138 HydrophobicContact CD2-CD2 4.33Å; L52-F138 HydrophobicContact CD2-CE2 3.62Å; L52-F138 HydrophobicContact CD2-CZ 4.41Å; L52-F138 HydrophobicContact CG-CD2 4.33Å; L52-F138 HydrophobicContact CG-CE2 3.89Å |
| 53 | G | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.6 | -51 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | W49 A50 N51 G55 L56 A57 G141 | W49-G53 PolarHBondContact O-N 2.98Å; A50-G53 PolarHBondContact O-N 3.09Å; A50-G53 VanDerWaalsContact O-N 3.17Å; N51-G53 VanDerWaalsContact C-N 3.32Å; G53-G55 PolarHBondContact O-N 2.97Å; G53-L56 PolarHBondContact O-N 2.95Å; G53-A57 WeakPolarHBondContact O-CB 3.47Å; G53-A57 PolarHBondContact O-N 2.73Å; G53-G141 WeakPolarHBondContact O-CA 3.42Å |
| 54 | I | 97.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 40 Ų | 40 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 178.3 | -64.2 | 159.2 | 0 | 0 | 0 | 110.7 | A50 N51 A57 I58 A108 I111 | A50-I54 WeakPolarHBondContact O-CG1 3.34Å; A50-I54 PolarHBondContact O-N 3.28Å; N51-I54 PolarHBondContact O-N 2.96Å; I54-A57 WeakPolarHBondContact O-CB 3.33Å; I54-A57 PolarHBondContact O-N 3.36Å; I54-I58 PolarHBondContact O-N 3.47Å; I54-A108 HydrophobicContact CG2-CB 4.29Å; I54-I111 HydrophobicContact CD1-CG2 4.24Å; I54-I111 HydrophobicContact CG1-CB 4.05Å; I54-I111 HydrophobicContact CG1-CG2 3.54Å |
| 55 | G | 97.7 | Very high | 96.7 | Very high | 34 Ų | 34 | 39 Ų | 39 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | N51 L52 G53 I58 S59 | N51-G55 PolarHBondContact O-N 2.81Å; L52-G55 PolarHBondContact O-N 3.48Å; G53-G55 PolarHBondContact O-N 2.97Å; G55-I58 WeakPolarHBondContact O-CG2 3.49Å; G55-S59 VanDerWaalsContact O-CB 3.27Å; G55-S59 WeakPolarHBondContact O-CB 3.42Å; G55-S59 PolarHBondContact O-N 2.95Å; G55-S59 PolarHBondContact O-OG 3.47Å |
| 56 | L | 97.6 | Very high | 97 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 22% | 0.22 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69 | -34.2 | 177.9 | -70.6 | 177 | 0 | 0 | 0 | 112.4 | L52 G53 I58 S59 L60 F138 L142 | L52-L56 HydrophobicContact CD1-CD1 3.99Å; L52-L56 HydrophobicContact CD1-CG 4.04Å; L52-L56 HydrophobicContact CD2-CD1 4.49Å; L52-L56 HydrophobicContact CG-CD1 3.83Å; L52-L56 HydrophobicContact CG-CG 4.27Å; L52-L56 VanDerWaalsContact O-CB 3.31Å; L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.35Å; L52-L56 PolarHBondContact O-N 3.35Å; G53-L56 PolarHBondContact O-N 2.95Å; L56-I58 PolarHBondContact O-N 2.79Å; L56-S59 WeakPolarHBondContact CA-OG 3.37Å; L56-L60 HydrophobicContact CB-CD1 4.27Å; L56-L60 HydrophobicContact CD2-CD1 4.32Å; L56-L60 HydrophobicContact CD2-CG 4.39Å; L56-L60 VanDerWaalsContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CB 3.35Å; L56-L60 WeakPolarHBondContact O-CG 3.34Å; L56-L60 PolarHBondContact O-N 3.48Å; L56-L60 VanDerWaalsContact O-N 3.09Å; L56-F138 HydrophobicContact CD1-CE2 4.18Å; L56-L142 HydrophobicContact CD1-CD2 3.6Å |
| 57 | A | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.4 | -51 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G53 I54 S61 A108 V144 | G53-A57 WeakPolarHBondContact O-CB 3.47Å; G53-A57 PolarHBondContact O-N 2.73Å; I54-A57 WeakPolarHBondContact O-CB 3.33Å; I54-A57 PolarHBondContact O-N 3.36Å; A57-S61 VanDerWaalsContact O-CB 3.3Å; A57-S61 WeakPolarHBondContact O-CB 3.39Å; A57-S61 PolarHBondContact O-OG 3.4Å; A57-A108 HydrophobicContact CB-CB 4.38Å; A57-V144 HydrophobicContact CB-CG1 3.59Å |
| 58 | I | 98 | Very high | 97.4 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -76.8 | -47 | -179.2 | -171.9 | 166 | 0 | 0 | 0 | 112.1 | I54 G55 L56 S61 V62 I105 A108 | I54-I58 PolarHBondContact O-N 3.47Å; G55-I58 WeakPolarHBondContact O-CG2 3.49Å; L56-I58 PolarHBondContact O-N 2.79Å; I58-S61 PolarHBondContact O-N 2.91Å; I58-V62 HydrophobicContact CG1-CG2 4.26Å; I58-V62 VanDerWaalsContact O-CG2 3.3Å; I58-V62 WeakPolarHBondContact O-CG2 3.42Å; I58-V62 PolarHBondContact O-N 3.29Å; I58-I105 HydrophobicContact CD1-CB 4.19Å; I58-I105 HydrophobicContact CD1-CD1 4.34Å; I58-I105 HydrophobicContact CD1-CG1 4.01Å; I58-A108 HydrophobicContact CB-CB 3.94Å; I58-A108 HydrophobicContact CG2-CB 4.46Å |
| 59 | S | 98.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 38% | 0.378 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64 | -48.4 | -173.6 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | G55 L56 S61 V62 V63 | G55-S59 VanDerWaalsContact O-CB 3.27Å; G55-S59 WeakPolarHBondContact O-CB 3.42Å; G55-S59 PolarHBondContact O-N 2.95Å; G55-S59 PolarHBondContact O-OG 3.47Å; L56-S59 WeakPolarHBondContact CA-OG 3.37Å; S59-S61 PolarHBondContact O-N 2.98Å; S59-V62 PolarHBondContact O-N 3.24Å; S59-V63 VanDerWaalsContact O-CG2 3.29Å; S59-V63 WeakPolarHBondContact O-CG2 3.29Å; S59-V63 PolarHBondContact O-N 3.23Å |
| 60 | L | 98 | Very high | 97.6 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 179.8 | -64.5 | 176.9 | 0 | 0 | 0 | 112.1 | L56 V63 G64 G145 F146 | L56-L60 HydrophobicContact CB-CD1 4.27Å; L56-L60 HydrophobicContact CD2-CD1 4.32Å; L56-L60 HydrophobicContact CD2-CG 4.39Å; L56-L60 VanDerWaalsContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CB 3.35Å; L56-L60 WeakPolarHBondContact O-CG 3.34Å; L56-L60 PolarHBondContact O-N 3.48Å; L56-L60 VanDerWaalsContact O-N 3.09Å; L60-V63 PolarHBondContact O-N 3.08Å; L60-G64 PolarHBondContact O-N 2.87Å; L60-G145 WeakPolarHBondContact CB-O 3.26Å; L60-F146 HydrophobicContact CD1-CD1 4.42Å; L60-F146 HydrophobicContact CD1-CD2 4.15Å; L60-F146 HydrophobicContact CD1-CE1 4.31Å; L60-F146 HydrophobicContact CD1-CE2 4.05Å; L60-F146 HydrophobicContact CD1-CG 4.34Å; L60-F146 HydrophobicContact CD1-CZ 4.12Å |
| 61 | S | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.6 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | A57 I58 S59 G64 A65 G104 N148 | A57-S61 VanDerWaalsContact O-CB 3.3Å; A57-S61 WeakPolarHBondContact O-CB 3.39Å; A57-S61 PolarHBondContact O-OG 3.4Å; I58-S61 PolarHBondContact O-N 2.91Å; S59-S61 PolarHBondContact O-N 2.98Å; S61-G64 PolarHBondContact O-N 3.4Å; S61-A65 PolarHBondContact O-N 3.5Å; S61-G104 WeakPolarHBondContact OG-CA 3.32Å; S61-N148 VanDerWaalsContact OG-CB 3.31Å; S61-N148 WeakPolarHBondContact OG-CB 3.32Å; S61-N148 PolarHBondContact OG-ND2 3.07Å |
| 62 | V | 98.2 | Very high | 97.7 | Very high | 72 Ų | 72 | 44.4 Ų | 44.4 | 44% | 0.436 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.7 | -37 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | I58 S59 G64 A65 A66 A101 | I58-V62 HydrophobicContact CG1-CG2 4.26Å; I58-V62 VanDerWaalsContact O-CG2 3.3Å; I58-V62 WeakPolarHBondContact O-CG2 3.42Å; I58-V62 PolarHBondContact O-N 3.29Å; S59-V62 PolarHBondContact O-N 3.24Å; V62-G64 VanDerWaalsContact C-N 3.33Å; V62-G64 PolarHBondContact O-N 3.3Å; V62-A65 PolarHBondContact O-N 2.96Å; V62-A66 WeakPolarHBondContact O-CB 3.44Å; V62-A66 PolarHBondContact O-N 3.42Å; V62-A101 HydrophobicContact CG2-CB 4.31Å |
| 63 | V | 98.4 | Very high | 97.7 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | S59 L60 A66 W67 L149 | S59-V63 VanDerWaalsContact O-CG2 3.29Å; S59-V63 WeakPolarHBondContact O-CG2 3.29Å; S59-V63 PolarHBondContact O-N 3.23Å; L60-V63 PolarHBondContact O-N 3.08Å; V63-A66 PolarHBondContact O-N 2.9Å; V63-W67 WeakPolarHBondContact O-CB 3.46Å; V63-W67 PolarHBondContact O-N 3.4Å; V63-L149 HydrophobicContact CB-CD1 4.26Å; V63-L149 HydrophobicContact CG1-CD1 3.83Å |
| 64 | G | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | L60 S61 V62 W67 G68 | L60-G64 PolarHBondContact O-N 2.87Å; S61-G64 PolarHBondContact O-N 3.4Å; V62-G64 VanDerWaalsContact C-N 3.33Å; V62-G64 PolarHBondContact O-N 3.3Å; G64-W67 PolarHBondContact O-N 3.09Å; G64-G68 PolarHBondContact O-N 3.38Å |
| 65 | A | 97.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S61 V62 W67 G68 I69 C97 A101 | S61-A65 PolarHBondContact O-N 3.5Å; V62-A65 PolarHBondContact O-N 2.96Å; A65-W67 VanDerWaalsContact C-N 3.3Å; A65-W67 PolarHBondContact O-N 2.94Å; A65-G68 PolarHBondContact O-N 3.25Å; A65-I69 WeakPolarHBondContact O-CB 3.19Å; A65-I69 WeakPolarHBondContact O-CG1 3.49Å; A65-I69 PolarHBondContact O-N 3.41Å; A65-C97 WeakPolarHBondContact CB-O 3.33Å; A65-A101 HydrophobicContact CB-CB 3.78Å |
| 66 | A | 98.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V62 V63 I69 Y70 | V62-A66 WeakPolarHBondContact O-CB 3.44Å; V62-A66 PolarHBondContact O-N 3.42Å; V63-A66 PolarHBondContact O-N 2.9Å; A66-I69 PolarHBondContact O-N 3.37Å; A66-Y70 WeakPolarHBondContact O-CB 3.49Å; A66-Y70 PolarHBondContact O-N 2.9Å |
| 67 | W | 98.3 | Very high | 97.6 | Very high | 139 Ų | 139 | 46.9 Ų | 46.9 | 53% | 0.527 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 176.7 | -155.4 | -47.8 | 0 | 0 | 0 | 111.4 | V63 G64 A65 I69 Y70 I71 I153 | V63-W67 WeakPolarHBondContact O-CB 3.46Å; V63-W67 PolarHBondContact O-N 3.4Å; G64-W67 PolarHBondContact O-N 3.09Å; A65-W67 VanDerWaalsContact C-N 3.3Å; A65-W67 PolarHBondContact O-N 2.94Å; W67-I69 PolarHBondContact O-N 3.48Å; W67-Y70 PolarHBondContact O-N 2.92Å; W67-I71 WeakPolarHBondContact O-CG1 3.25Å; W67-I71 PolarHBondContact O-N 2.86Å; W67-I71 VanDerWaalsContact O-N 3.09Å; W67-I153 HydrophobicContact CB-CG1 4.14Å; W67-I153 HydrophobicContact CD2-CG1 4.5Å; W67-I153 HydrophobicContact CG-CG1 4.08Å |
| 68 | G | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G64 A65 T72 G152 | G64-G68 PolarHBondContact O-N 3.38Å; A65-G68 PolarHBondContact O-N 3.25Å; G68-T72 WeakPolarHBondContact O-CB 3.27Å; G68-T72 PolarHBondContact O-N 3.21Å; G68-T72 PolarHBondContact O-OG1 3.48Å; G68-T72 VanDerWaalsContact O-OG1 3.09Å; G68-G152 WeakPolarHBondContact CA-O 3.3Å |
| 69 | I | 98 | Very high | 97.3 | Very high | 62 Ų | 62 | 47 Ų | 47 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176 | -67.8 | 166.2 | 0 | 0 | 0 | 110.6 | A65 A66 W67 G73 I94 C97 | A65-I69 WeakPolarHBondContact O-CB 3.19Å; A65-I69 WeakPolarHBondContact O-CG1 3.49Å; A65-I69 PolarHBondContact O-N 3.41Å; A66-I69 PolarHBondContact O-N 3.37Å; W67-I69 PolarHBondContact O-N 3.48Å; I69-G73 WeakPolarHBondContact O-CA 3.43Å; I69-G73 PolarHBondContact O-N 3.13Å; I69-I94 HydrophobicContact CG1-CG2 4.24Å; I69-I94 HydrophobicContact CG2-CG2 4.47Å; I69-C97 HydrophobicContact CG1-CB 3.82Å |
| 70 | Y | 97.9 | Very high | 97.1 | Very high | 167 Ų | 167 | 45.2 Ų | 45.2 | 66% | 0.655 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 179.7 | 165.1 | -108.4 | 0 | 0 | 0 | 112.5 | A66 W67 S74 | A66-Y70 WeakPolarHBondContact O-CB 3.49Å; A66-Y70 PolarHBondContact O-N 2.9Å; W67-Y70 PolarHBondContact O-N 2.92Å; Y70-S74 WeakPolarHBondContact O-CB 3.33Å; Y70-S74 PolarHBondContact O-N 3.11Å; Y70-S74 PolarHBondContact O-OG 3.46Å |
| 71 | I | 97.7 | Very high | 97 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 18% | 0.179 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -49.3 | 178.6 | -69.8 | 175.1 | 0 | 0 | 0 | 110.8 | W67 S74 S75 G156 I157 | W67-I71 WeakPolarHBondContact O-CG1 3.25Å; W67-I71 PolarHBondContact O-N 2.86Å; W67-I71 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-OG 2.87Å; I71-S75 PolarHBondContact O-OG 3.11Å; I71-S75 VanDerWaalsContact O-OG 3.08Å; I71-G156 WeakPolarHBondContact CG2-O 3.42Å; I71-I157 HydrophobicContact CD1-CG1 4.12Å |
| 72 | T | 96.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.2 | -44.4 | -179 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | G68 S74 S75 I76 G156 | G68-T72 WeakPolarHBondContact O-CB 3.27Å; G68-T72 PolarHBondContact O-N 3.21Å; G68-T72 PolarHBondContact O-OG1 3.48Å; G68-T72 VanDerWaalsContact O-OG1 3.09Å; T72-S74 PolarHBondContact O-N 3.23Å; T72-S75 WeakPolarHBondContact O-CB 3.49Å; T72-S75 PolarHBondContact O-N 3.43Å; T72-S75 VanDerWaalsContact O-N 3.09Å; T72-I76 HydrophobicContact CG2-CD1 3.76Å; T72-I76 HydrophobicContact CG2-CG1 4.21Å; T72-I76 WeakPolarHBondContact O-CG1 3.48Å; T72-I76 PolarHBondContact O-N 3.4Å; T72-G156 WeakPolarHBondContact OG1-CA 3.39Å; T72-G156 PolarHBondContact OG1-O 3.47Å |
| 73 | G | 96.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I69 S75 I76 I77 | I69-G73 WeakPolarHBondContact O-CA 3.43Å; I69-G73 PolarHBondContact O-N 3.13Å; G73-S75 PolarHBondContact O-N 3.02Å; G73-I76 PolarHBondContact O-N 2.92Å; G73-I77 WeakPolarHBondContact O-CG1 3.32Å; G73-I77 PolarHBondContact O-N 3.07Å |
| 74 | S | 97.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -36.9 | 174 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | Y70 I71 T72 G78 | Y70-S74 WeakPolarHBondContact O-CB 3.33Å; Y70-S74 PolarHBondContact O-N 3.11Å; Y70-S74 PolarHBondContact O-OG 3.46Å; I71-S74 PolarHBondContact O-OG 2.87Å; T72-S74 PolarHBondContact O-N 3.23Å; S74-G78 PolarHBondContact O-N 3.39Å |
| 75 | S | 96.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.8 | -39 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | I71 T72 G73 G78 G79 S160 | I71-S75 PolarHBondContact O-OG 3.11Å; I71-S75 VanDerWaalsContact O-OG 3.08Å; T72-S75 WeakPolarHBondContact O-CB 3.49Å; T72-S75 PolarHBondContact O-N 3.43Å; T72-S75 VanDerWaalsContact O-N 3.09Å; G73-S75 PolarHBondContact O-N 3.02Å; S75-G78 PolarHBondContact O-N 2.96Å; S75-G79 PolarHBondContact O-N 3Å; S75-S160 WeakPolarHBondContact OG-CB 3.45Å; S75-S160 PolarHBondContact OG-OG 3.4Å |
| 76 | I | 96.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 174 | -69.7 | 172.2 | 0 | 0 | 0 | 110.3 | T72 G73 G80 N90 I94 A163 | T72-I76 HydrophobicContact CG2-CD1 3.76Å; T72-I76 HydrophobicContact CG2-CG1 4.21Å; T72-I76 WeakPolarHBondContact O-CG1 3.48Å; T72-I76 PolarHBondContact O-N 3.4Å; G73-I76 PolarHBondContact O-N 2.92Å; I76-G80 VanDerWaalsContact O-CA 3.31Å; I76-G80 WeakPolarHBondContact O-CA 3.38Å; I76-G80 PolarHBondContact O-N 3.09Å; I76-N90 HydrophobicContact CD1-CB 3.88Å; I76-N90 HydrophobicContact CG1-CB 4.04Å; I76-I94 HydrophobicContact CD1-CD1 4.08Å; I76-I94 HydrophobicContact CD1-CG1 4.25Å; I76-A163 HydrophobicContact CG1-CB 3.77Å |
| 77 | I | 96.6 | Very high | 95.6 | Very high | 128 Ų | 128 | 66.9 Ų | 66.9 | 66% | 0.656 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.2 | -45.5 | 179.3 | -64.2 | 169.1 | 0 | 0 | 0 | 109.9 | G73 G80 V81 | G73-I77 WeakPolarHBondContact O-CG1 3.32Å; G73-I77 PolarHBondContact O-N 3.07Å; I77-G80 PolarHBondContact O-N 2.68Å; I77-V81 WeakPolarHBondContact O-CG2 3.45Å; I77-V81 PolarHBondContact O-N 3.47Å |
| 78 | G | 96.2 | Very high | 95.3 | Very high | 50 Ų | 50 | 64.9 Ų | 64.9 | 52% | 0.515 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S74 S75 G80 | S74-G78 PolarHBondContact O-N 3.39Å; S75-G78 PolarHBondContact O-N 2.96Å; G78-G80 VanDerWaalsContact C-N 3.3Å; G78-G80 PolarHBondContact O-N 3.33Å |
| 79 | G | 93.5 | Very high | 95 | Very high | 13 Ų | 13 | 68.2 Ų | 68.2 | 13% | 0.134 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.9 | -27.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S75 V81 A83 I86 | S75-G79 PolarHBondContact O-N 3Å; G79-V81 VanDerWaalsContact C-N 3.29Å; G79-V81 PolarHBondContact O-N 3.04Å; G79-A83 PolarHBondContact O-N 3.34Å; G79-A83 VanDerWaalsContact O-N 3.15Å; G79-I86 VanDerWaalsContact C-CD1 3.44Å |
| 80 | G | 94.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.9 | -18.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I76 I77 G78 A83 P84 | I76-G80 VanDerWaalsContact O-CA 3.31Å; I76-G80 WeakPolarHBondContact O-CA 3.38Å; I76-G80 PolarHBondContact O-N 3.09Å; I77-G80 PolarHBondContact O-N 2.68Å; G78-G80 VanDerWaalsContact C-N 3.3Å; G78-G80 PolarHBondContact O-N 3.33Å; G80-A83 CarbonylContact O-C 3.53Å; G80-P84 VanDerWaalsContact O-CA 3.32Å; G80-P84 WeakPolarHBondContact O-CA 3.45Å |
| 81 | V | 96.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 61.1 Ų | 61.1 | 78% | 0.782 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -46.6 | 175.7 | 178.6 | 0 | 0 | 0 | 0 | 111 | I77 G79 | I77-V81 WeakPolarHBondContact O-CG2 3.45Å; I77-V81 PolarHBondContact O-N 3.47Å; G79-V81 VanDerWaalsContact C-N 3.29Å; G79-V81 PolarHBondContact O-N 3.04Å |
| 82 | K | 92.8 | Very high | 94.4 | Very high | 202 Ų | 202 | 62.1 Ų | 62.1 | 88% | 0.878 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -33.8 | 179.8 | -169.1 | 175.3 | -178.3 | -179.4 | 0 | 112.3 | P84 | K82-P84 WeakPolarHBondContact O-CD 3.45Š|
| 83 | A | 93.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | trans | -123.3 | 77.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | G79 G80 R85 I86 A167 | G79-A83 PolarHBondContact O-N 3.34Å; G79-A83 VanDerWaalsContact O-N 3.15Å; G80-A83 CarbonylContact O-C 3.53Å; A83-R85 PolarHBondContact O-N 3.21Å; A83-I86 HydrophobicContact CB-CG2 4.42Å; A83-I86 WeakPolarHBondContact O-CG1 3.27Å; A83-I86 PolarHBondContact O-N 3.01Å; A83-A167 HydrophobicContact CB-CB 4.22Å | ||
| 84 | P | 93.6 | Very high | 94.3 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 51% | 0.506 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.9 | -171.6 | 26.4 | -35.9 | 0 | 0 | 0 | 114.6 | G80 K82 I86 K87 | G80-P84 VanDerWaalsContact O-CA 3.32Å; G80-P84 WeakPolarHBondContact O-CA 3.45Å; K82-P84 WeakPolarHBondContact O-CD 3.45Å; P84-I86 PolarHBondContact O-N 3.47Å; P84-K87 WeakPolarHBondContact O-CD 3.43Å; P84-K87 WeakPolarHBondContact O-CG 3.43Å; P84-K87 PolarHBondContact O-N 3.33Å |
| 85 | R | 92.1 | Very high | 94.3 | Very high | 137 Ų | 137 | 65.2 Ų | 65.2 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.7 | 175.3 | 67.6 | 178.3 | -174.9 | -176.6 | -5.4 | 113.7 | A83 K87 D166 | A83-R85 PolarHBondContact O-N 3.21Å; R85-K87 VanDerWaalsContact C-N 3.25Å; R85-K87 PolarHBondContact O-N 3.46Å; R85-D166 PolarHBondContact NH2-O 2.94Å |
| 86 | I | 93 | Very high | 94.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73.4 | -19.5 | -176 | 74.8 | -179.6 | 0 | 0 | 0 | 112.4 | G79 A83 P84 T88 N90 D166 A167 | G79-I86 VanDerWaalsContact C-CD1 3.44Å; A83-I86 HydrophobicContact CB-CG2 4.42Å; A83-I86 WeakPolarHBondContact O-CG1 3.27Å; A83-I86 PolarHBondContact O-N 3.01Å; P84-I86 PolarHBondContact O-N 3.47Å; I86-T88 VanDerWaalsContact C-N 3.27Å; I86-T88 PolarHBondContact O-N 2.92Å; I86-N90 WeakPolarHBondContact O-CB 3.47Å; I86-N90 PolarHBondContact O-N 3.28Å; I86-N90 PolarHBondContact O-OD1 3.1Å; I86-D166 HydrophobicContact CG2-CB 4.3Å; I86-D166 WeakPolarHBondContact CG2-OD2 3.23Å; I86-A167 HydrophobicContact CD1-CB 4.13Å; I86-A167 HydrophobicContact CG2-CB 4.32Å |
| 87 | K | 91.5 | Very high | 94.1 | Very high | 129 Ų | 129 | 66.1 Ų | 66.1 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.7 | -28.2 | -173.6 | 78.2 | -171.2 | 175.5 | 173.3 | 0 | 114.4 | P84 R85 L91 | P84-K87 WeakPolarHBondContact O-CD 3.43Å; P84-K87 WeakPolarHBondContact O-CG 3.43Å; P84-K87 PolarHBondContact O-N 3.33Å; R85-K87 VanDerWaalsContact C-N 3.25Å; R85-K87 PolarHBondContact O-N 3.46Å; K87-L91 VanDerWaalsContact O-CG 3.25Å; K87-L91 WeakPolarHBondContact O-CG 3.19Å |
| 88 | T | 92.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 64.9 Ų | 64.9 | 60% | 0.595 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -98.8 | -40.8 | -179.5 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | I86 | I86-T88 VanDerWaalsContact C-N 3.27Å; I86-T88 PolarHBondContact O-N 2.92Å |
| 89 | K | 91.6 | Very high | 94.1 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | -176.6 | -170.4 | -178.8 | 174.6 | -162.9 | 0 | 112.6 | L91 D166 G170 F173 | K89-L91 VanDerWaalsContact C-N 3.28Å; K89-L91 PolarHBondContact O-N 3.28Å; K89-D166 IonicContact NZ-OD1 2.78Å; K89-D166 PolarHBondContact NZ-OD1 2.74Å; K89-D166 IonicContact NZ-OD2 3.79Å; K89-G170 PolarHBondContact NZ-O 3.4Å; K89-F173 HydrophobicContact CD-CD1 4.16Å; K89-F173 HydrophobicContact CD-CG 4.37Å; K89-F173 HydrophobicContact CG-CD1 4.01Å; K89-F173 HydrophobicContact CG-CE1 3.97Å; K89-F173 HydrophobicContact CG-CG 4.46Å; K89-F173 HydrophobicContact CG-CZ 4.42Å; K89-F173 WeakPolarHBondContact O-CZ 3.13Å |
| 90 | N | 92.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 3.3 | -176.9 | -65.2 | 73.6 | 0 | 0 | 0 | 113.9 | I76 I86 V92 S93 A163 D166 F173 | I76-N90 HydrophobicContact CD1-CB 3.88Å; I76-N90 HydrophobicContact CG1-CB 4.04Å; I86-N90 WeakPolarHBondContact O-CB 3.47Å; I86-N90 PolarHBondContact O-N 3.28Å; I86-N90 PolarHBondContact O-OD1 3.1Å; N90-V92 PolarHBondContact O-N 3.01Å; N90-S93 PolarHBondContact O-N 3.18Å; N90-A163 VanDerWaalsContact ND2-CA 3.31Å; N90-A163 WeakPolarHBondContact ND2-CA 3.37Å; N90-D166 PolarHBondContact OD1-OD2 3.49Å; N90-F173 HydrophobicContact CB-CE2 4.38Å; N90-F173 VanDerWaalsContact ND2-CD2 3.32Å; N90-F173 WeakPolarHBondContact ND2-CD2 3.44Å; N90-F173 VanDerWaalsContact ND2-CE2 3.32Å; N90-F173 WeakPolarHBondContact ND2-CE2 3.5Å |
| 91 | L | 94.4 | Very high | 94.4 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -22.9 | 172 | -69.4 | 177 | 0 | 0 | 0 | 112.5 | K87 K89 S93 I94 I95 | K87-L91 VanDerWaalsContact O-CG 3.25Å; K87-L91 WeakPolarHBondContact O-CG 3.19Å; K89-L91 VanDerWaalsContact C-N 3.28Å; K89-L91 PolarHBondContact O-N 3.28Å; L91-S93 PolarHBondContact O-N 2.86Å; L91-I94 HydrophobicContact CD2-CD1 3.97Å; L91-I94 WeakPolarHBondContact O-CB 3.49Å; L91-I94 PolarHBondContact O-N 3.22Å; L91-I94 VanDerWaalsContact O-N 3.07Å; L91-I95 WeakPolarHBondContact O-CG1 3.3Å; L91-I95 PolarHBondContact O-N 3.39Å; L91-I95 VanDerWaalsContact O-N 3.08Å |
| 92 | V | 94.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.4 | -39.1 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | N90 I94 I95 F96 F173 L177 | N90-V92 PolarHBondContact O-N 3.01Å; V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 PolarHBondContact O-N 2.9Å; V92-I95 WeakPolarHBondContact O-CB 3.38Å; V92-I95 PolarHBondContact O-N 2.98Å; V92-F96 HydrophobicContact CG1-CD2 4.09Å; V92-F96 HydrophobicContact CG1-CE2 3.63Å; V92-F96 HydrophobicContact CG1-CZ 4.1Å; V92-F96 PolarHBondContact O-N 3.47Å; V92-F173 HydrophobicContact CB-CZ 4.41Å; V92-L177 HydrophobicContact CG1-CD1 4.02Å |
| 93 | S | 93.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -32.4 | 178.5 | -50.8 | 0 | 0 | 0 | 0 | 112.6 | N90 L91 C97 E180 | N90-S93 PolarHBondContact O-N 3.18Å; L91-S93 PolarHBondContact O-N 2.86Å; S93-C97 PolarHBondContact O-N 3.25Å; S93-C97 PolarHBondContact O-SG 3.39Å; S93-E180 WeakPolarHBondContact CA-OE2 3.26Å; S93-E180 WeakPolarHBondContact CB-OE2 3.48Å; S93-E180 VanDerWaalsContact OG-CD 3.24Å; S93-E180 PolarHBondContact OG-OE1 3.38Å; S93-E180 PolarHBondContact OG-OE2 3.16Å |
| 94 | I | 96.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 173 | -62.8 | -178.5 | 0 | 0 | 0 | 110 | I69 I76 L91 V92 F96 C97 E98 | I69-I94 HydrophobicContact CG1-CG2 4.24Å; I69-I94 HydrophobicContact CG2-CG2 4.47Å; I76-I94 HydrophobicContact CD1-CD1 4.08Å; I76-I94 HydrophobicContact CD1-CG1 4.25Å; L91-I94 HydrophobicContact CD2-CD1 3.97Å; L91-I94 WeakPolarHBondContact O-CB 3.49Å; L91-I94 PolarHBondContact O-N 3.22Å; L91-I94 VanDerWaalsContact O-N 3.07Å; V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 PolarHBondContact O-N 2.9Å; I94-F96 VanDerWaalsContact C-N 3.3Å; I94-F96 PolarHBondContact O-N 3.27Å; I94-C97 WeakPolarHBondContact O-CB 3.25Å; I94-C97 PolarHBondContact O-N 2.91Å; I94-C97 VanDerWaalsContact O-N 3.1Å; I94-E98 PolarHBondContact O-N 3.44Å |
| 95 | I | 96.9 | Very high | 94.9 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 178.8 | -64.5 | 167.7 | 0 | 0 | 0 | 111 | L91 V92 E98 A99 | L91-I95 WeakPolarHBondContact O-CG1 3.3Å; L91-I95 PolarHBondContact O-N 3.39Å; L91-I95 VanDerWaalsContact O-N 3.08Å; V92-I95 WeakPolarHBondContact O-CB 3.38Å; V92-I95 PolarHBondContact O-N 2.98Å; I95-E98 WeakPolarHBondContact O-CB 3.15Å; I95-E98 PolarHBondContact O-N 2.82Å; I95-A99 PolarHBondContact O-N 3.43Å |
| 96 | F | 95.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 51 Ų | 51 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 174.1 | -72.6 | -46.5 | 0 | 0 | 0 | 113 | V92 I94 E98 A99 V155 L177 E180 I181 | V92-F96 HydrophobicContact CG1-CD2 4.09Å; V92-F96 HydrophobicContact CG1-CE2 3.63Å; V92-F96 HydrophobicContact CG1-CZ 4.1Å; V92-F96 PolarHBondContact O-N 3.47Å; I94-F96 VanDerWaalsContact C-N 3.3Å; I94-F96 PolarHBondContact O-N 3.27Å; F96-E98 VanDerWaalsContact C-N 3.3Å; F96-A99 PolarHBondContact O-N 3.38Å; F96-V155 HydrophobicContact CB-CG1 3.77Å; F96-L177 HydrophobicContact CE2-CD1 3.82Å; F96-E180 HydrophobicContact CD2-CB 4.21Å; F96-E180 HydrophobicContact CE2-CB 4.37Å; F96-I181 HydrophobicContact CZ-CG1 4.19Å |
| 97 | C | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 172.8 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | A65 I69 S93 I94 V100 | A65-C97 WeakPolarHBondContact CB-O 3.33Å; I69-C97 HydrophobicContact CG1-CB 3.82Å; S93-C97 PolarHBondContact O-N 3.25Å; S93-C97 PolarHBondContact O-SG 3.39Å; I94-C97 WeakPolarHBondContact O-CB 3.25Å; I94-C97 PolarHBondContact O-N 2.91Å; I94-C97 VanDerWaalsContact O-N 3.1Å; C97-V100 WeakPolarHBondContact O-CB 3.42Å |
| 98 | E | 97.2 | Very high | 95.7 | Very high | 103 Ų | 103 | 45.2 Ų | 45.2 | 48% | 0.481 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.6 | -39.8 | 176.1 | -170.7 | -176.2 | 174.6 | 0 | 0 | 112.3 | I94 I95 F96 V100 A101 I102 | I94-E98 PolarHBondContact O-N 3.44Å; I95-E98 WeakPolarHBondContact O-CB 3.15Å; I95-E98 PolarHBondContact O-N 2.82Å; F96-E98 VanDerWaalsContact C-N 3.3Å; E98-V100 PolarHBondContact O-N 3.26Å; E98-V100 VanDerWaalsContact O-N 3.13Å; E98-A101 WeakPolarHBondContact O-CA 3.29Å; E98-A101 WeakPolarHBondContact O-CB 3.14Å; E98-A101 PolarHBondContact O-N 3.19Å; E98-I102 PolarHBondContact O-N 2.92Å; E98-I102 VanDerWaalsContact O-N 3.16Å |
| 99 | A | 95.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 45 Ų | 45 | 17% | 0.174 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.8 | -32.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I95 F96 A101 I102 Y103 | I95-A99 PolarHBondContact O-N 3.43Å; F96-A99 PolarHBondContact O-N 3.38Å; A99-A101 VanDerWaalsContact C-N 3.34Å; A99-A101 PolarHBondContact O-N 3.46Å; A99-I102 WeakPolarHBondContact O-CB 3.41Å; A99-I102 PolarHBondContact O-N 3.3Å; A99-I102 VanDerWaalsContact O-N 3.16Å; A99-Y103 WeakPolarHBondContact O-CD1 3.48Å; A99-Y103 WeakPolarHBondContact O-CD2 3.17Å; A99-Y103 VanDerWaalsContact O-CG 3.27Å; A99-Y103 PolarHBondContact O-N 3.37Å |
| 100 | V | 95.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | C97 E98 Y103 G104 N148 C151 | C97-V100 WeakPolarHBondContact O-CB 3.42Å; E98-V100 PolarHBondContact O-N 3.26Å; E98-V100 VanDerWaalsContact O-N 3.13Å; V100-Y103 PolarHBondContact O-N 3.39Å; V100-G104 PolarHBondContact O-N 3.32Å; V100-N148 HydrophobicContact CG1-CB 3.46Å; V100-N148 VanDerWaalsContact CG1-CB 3.46Å; V100-N148 WeakPolarHBondContact CG1-O 3.41Å; V100-N148 PolarHBondContact O-ND2 3.17Å; V100-C151 HydrophobicContact CG2-CB 4.44Å |
| 101 | A | 97.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.4 | -37 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V62 A65 E98 A99 Y103 G104 I105 | V62-A101 HydrophobicContact CG2-CB 4.31Å; A65-A101 HydrophobicContact CB-CB 3.78Å; E98-A101 WeakPolarHBondContact O-CA 3.29Å; E98-A101 WeakPolarHBondContact O-CB 3.14Å; E98-A101 PolarHBondContact O-N 3.19Å; A99-A101 VanDerWaalsContact C-N 3.34Å; A99-A101 PolarHBondContact O-N 3.46Å; A101-Y103 VanDerWaalsContact C-N 3.31Å; A101-Y103 PolarHBondContact O-N 3.45Å; A101-G104 PolarHBondContact O-N 3.07Å; A101-G104 VanDerWaalsContact O-N 3.12Å; A101-I105 PolarHBondContact O-N 2.98Å |
| 102 | I | 97.8 | Very high | 96.2 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 41% | 0.41 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 175.8 | -62.4 | 176.5 | 0 | 0 | 0 | 110.5 | E98 A99 G104 I105 I106 | E98-I102 PolarHBondContact O-N 2.92Å; E98-I102 VanDerWaalsContact O-N 3.16Å; A99-I102 WeakPolarHBondContact O-CB 3.41Å; A99-I102 PolarHBondContact O-N 3.3Å; A99-I102 VanDerWaalsContact O-N 3.16Å; I102-G104 VanDerWaalsContact C-N 3.3Å; I102-G104 PolarHBondContact O-N 3.27Å; I102-I105 VanDerWaalsContact O-CG2 3.29Å; I102-I105 WeakPolarHBondContact O-CG2 3.35Å; I102-I105 PolarHBondContact O-N 2.92Å; I102-I106 HydrophobicContact CG2-CD1 3.64Å; I102-I106 HydrophobicContact CG2-CG1 4.28Å; I102-I106 WeakPolarHBondContact O-CB 3.48Å; I102-I106 VanDerWaalsContact O-CG1 3.24Å; I102-I106 WeakPolarHBondContact O-CG1 3.39Å; I102-I106 PolarHBondContact O-N 3.48Å |
| 103 | Y | 96.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 173.8 | -59.1 | -24.8 | 0 | 0 | 0 | 112.2 | A99 V100 A101 M107 L188 V191 | A99-Y103 WeakPolarHBondContact O-CD1 3.48Å; A99-Y103 WeakPolarHBondContact O-CD2 3.17Å; A99-Y103 VanDerWaalsContact O-CG 3.27Å; A99-Y103 PolarHBondContact O-N 3.37Å; V100-Y103 PolarHBondContact O-N 3.39Å; A101-Y103 VanDerWaalsContact C-N 3.31Å; A101-Y103 PolarHBondContact O-N 3.45Å; Y103-M107 WeakPolarHBondContact O-CB 3.2Å; Y103-M107 WeakPolarHBondContact O-CG 3.48Å; Y103-M107 PolarHBondContact O-N 2.92Å; Y103-M107 VanDerWaalsContact O-N 3.09Å; Y103-L188 HydrophobicContact CE1-CD2 3.89Å; Y103-L188 HydrophobicContact CE2-CD2 4Å; Y103-L188 HydrophobicContact CE2-CG 4.13Å; Y103-V191 HydrophobicContact CG-CG2 4.22Å |
| 104 | G | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S61 V100 A101 I102 M107 A108 N148 | S61-G104 WeakPolarHBondContact OG-CA 3.32Å; V100-G104 PolarHBondContact O-N 3.32Å; A101-G104 PolarHBondContact O-N 3.07Å; A101-G104 VanDerWaalsContact O-N 3.12Å; I102-G104 VanDerWaalsContact C-N 3.3Å; I102-G104 PolarHBondContact O-N 3.27Å; G104-M107 PolarHBondContact O-N 3.42Å; G104-A108 WeakPolarHBondContact O-CB 3.21Å; G104-A108 PolarHBondContact O-N 3.29Å; G104-N148 PolarHBondContact N-ND2 2.94Å |
| 105 | I | 97.7 | Very high | 95.8 | Very high | 79 Ų | 79 | 48.6 Ų | 48.6 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | -179.8 | -171.2 | 167.9 | 0 | 0 | 0 | 112.1 | I58 A101 I102 M107 A108 I109 | I58-I105 HydrophobicContact CD1-CB 4.19Å; I58-I105 HydrophobicContact CD1-CD1 4.34Å; I58-I105 HydrophobicContact CD1-CG1 4.01Å; A101-I105 PolarHBondContact O-N 2.98Å; I102-I105 VanDerWaalsContact O-CG2 3.29Å; I102-I105 WeakPolarHBondContact O-CG2 3.35Å; I102-I105 PolarHBondContact O-N 2.92Å; I105-M107 VanDerWaalsContact C-N 3.35Å; I105-M107 PolarHBondContact O-N 3.22Å; I105-A108 PolarHBondContact O-N 3.44Å; I105-I109 HydrophobicContact CG1-CD1 4.07Å; I105-I109 WeakPolarHBondContact O-CG1 3.39Å; I105-I109 PolarHBondContact O-N 2.87Å |
| 106 | I | 97.5 | Very high | 95.6 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 46% | 0.456 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 175.2 | -70.2 | 171.4 | 0 | 0 | 0 | 109.7 | I102 A108 I109 V110 | I102-I106 HydrophobicContact CG2-CD1 3.64Å; I102-I106 HydrophobicContact CG2-CG1 4.28Å; I102-I106 WeakPolarHBondContact O-CB 3.48Å; I102-I106 VanDerWaalsContact O-CG1 3.24Å; I102-I106 WeakPolarHBondContact O-CG1 3.39Å; I102-I106 PolarHBondContact O-N 3.48Å; I106-A108 PolarHBondContact O-N 2.72Å; I106-I109 PolarHBondContact O-N 2.93Å; I106-V110 HydrophobicContact CG2-CG2 4.39Å; I106-V110 VanDerWaalsContact O-CG2 3.31Å; I106-V110 WeakPolarHBondContact O-CG2 3.48Å; I106-V110 PolarHBondContact O-N 3.37Å |
| 107 | M | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -36.5 | -179.7 | -73.9 | -52.3 | -54.1 | 0 | 0 | 113 | Y103 G104 I105 I109 V110 I111 V144 V191 A194 I195 | Y103-M107 WeakPolarHBondContact O-CB 3.2Å; Y103-M107 WeakPolarHBondContact O-CG 3.48Å; Y103-M107 PolarHBondContact O-N 2.92Å; Y103-M107 VanDerWaalsContact O-N 3.09Å; G104-M107 PolarHBondContact O-N 3.42Å; I105-M107 VanDerWaalsContact C-N 3.35Å; I105-M107 PolarHBondContact O-N 3.22Å; M107-I109 VanDerWaalsContact C-N 3.34Å; M107-I109 PolarHBondContact O-N 3.24Å; M107-V110 HydrophobicContact CE-CG1 4.46Å; M107-V110 PolarHBondContact O-N 3.25Å; M107-I111 HydrophobicContact CE-CD1 4.39Å; M107-I111 HydrophobicContact CE-CG1 4.34Å; M107-I111 WeakPolarHBondContact O-CB 3.18Å; M107-I111 VanDerWaalsContact O-CG1 3.23Å; M107-I111 WeakPolarHBondContact O-CG1 3.13Å; M107-I111 PolarHBondContact O-N 3.24Å; M107-V144 HydrophobicContact CB-CG1 4.21Å; M107-V144 HydrophobicContact CB-CG2 4.09Å; M107-V144 HydrophobicContact CG-CG2 3.95Å; M107-V191 HydrophobicContact CG-CG1 4.09Å; M107-V191 HydrophobicContact CG-CG2 4.14Å; M107-V191 HydrophobicContact SD-CG1 3.86Å; M107-A194 HydrophobicContact CE-CB 3.82Å; M107-I195 HydrophobicContact CE-CG1 3.77Å; M107-I195 HydrophobicContact SD-CD1 4.08Å; M107-I195 HydrophobicContact SD-CG1 3.69Å |
| 108 | A | 97.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 52 Ų | 52 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I54 A57 I58 G104 I105 I106 S112 | I54-A108 HydrophobicContact CG2-CB 4.29Å; A57-A108 HydrophobicContact CB-CB 4.38Å; I58-A108 HydrophobicContact CB-CB 3.94Å; I58-A108 HydrophobicContact CG2-CB 4.46Å; G104-A108 WeakPolarHBondContact O-CB 3.21Å; G104-A108 PolarHBondContact O-N 3.29Å; I105-A108 PolarHBondContact O-N 3.44Å; I106-A108 PolarHBondContact O-N 2.72Å; A108-S112 VanDerWaalsContact O-CB 3.23Å; A108-S112 WeakPolarHBondContact O-CB 3.31Å; A108-S112 PolarHBondContact O-N 3.22Å |
| 109 | I | 97 | Very high | 94.2 | Very high | 94 Ų | 94 | 52 Ų | 52 | 48% | 0.482 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.1 | -66.4 | 166.5 | 0 | 0 | 0 | 110.8 | I105 I106 M107 I111 S112 N113 | I105-I109 HydrophobicContact CG1-CD1 4.07Å; I105-I109 WeakPolarHBondContact O-CG1 3.39Å; I105-I109 PolarHBondContact O-N 2.87Å; I106-I109 PolarHBondContact O-N 2.93Å; M107-I109 VanDerWaalsContact C-N 3.34Å; M107-I109 PolarHBondContact O-N 3.24Å; I109-I111 PolarHBondContact O-N 3.14Å; I109-S112 PolarHBondContact O-N 2.91Å; I109-N113 VanDerWaalsContact O-CG 3.28Å; I109-N113 PolarHBondContact O-N 3.46Å; I109-N113 PolarHBondContact O-ND2 2.65Å |
| 110 | V | 95.6 | Very high | 93.4 | Very high | 53 Ų | 53 | 51.9 Ų | 51.9 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 179.2 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | I106 M107 N113 M114 | I106-V110 HydrophobicContact CG2-CG2 4.39Å; I106-V110 VanDerWaalsContact O-CG2 3.31Å; I106-V110 WeakPolarHBondContact O-CG2 3.48Å; I106-V110 PolarHBondContact O-N 3.37Å; M107-V110 HydrophobicContact CE-CG1 4.46Å; M107-V110 PolarHBondContact O-N 3.25Å; V110-N113 PolarHBondContact O-N 3.34Å; V110-M114 HydrophobicContact CG1-CE 3.96Å; V110-M114 WeakPolarHBondContact O-CG 3.36Å |
| 111 | I | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.4 | -39.8 | 179.1 | -61.9 | 167.3 | 0 | 0 | 0 | 110.5 | I54 M107 I109 N113 M114 M137 A140 T198 | I54-I111 HydrophobicContact CD1-CG2 4.24Å; I54-I111 HydrophobicContact CG1-CB 4.05Å; I54-I111 HydrophobicContact CG1-CG2 3.54Å; M107-I111 HydrophobicContact CE-CD1 4.39Å; M107-I111 HydrophobicContact CE-CG1 4.34Å; M107-I111 WeakPolarHBondContact O-CB 3.18Å; M107-I111 VanDerWaalsContact O-CG1 3.23Å; M107-I111 WeakPolarHBondContact O-CG1 3.13Å; M107-I111 PolarHBondContact O-N 3.24Å; I109-I111 PolarHBondContact O-N 3.14Å; I111-N113 VanDerWaalsContact C-N 3.3Å; I111-N113 PolarHBondContact O-N 3.4Å; I111-M114 WeakPolarHBondContact O-CB 3.3Å; I111-M114 PolarHBondContact O-N 2.86Å; I111-M114 VanDerWaalsContact O-N 3.1Å; I111-M137 HydrophobicContact CG2-CB 3.79Å; I111-M137 HydrophobicContact CG2-CG 3.83Å; I111-M137 HydrophobicContact CG2-SD 4.4Å; I111-A140 HydrophobicContact CD1-CB 3.98Å; I111-T198 HydrophobicContact CG1-CG2 4.48Å |
| 112 | S | 95.3 | Very high | 91.9 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 177.9 | -172.7 | 0 | 0 | 0 | 0 | 112.9 | A108 I109 M114 A115 | A108-S112 VanDerWaalsContact O-CB 3.23Å; A108-S112 WeakPolarHBondContact O-CB 3.31Å; A108-S112 PolarHBondContact O-N 3.22Å; I109-S112 PolarHBondContact O-N 2.91Å; S112-M114 PolarHBondContact O-N 3.39Å; S112-A115 PolarHBondContact O-N 3.01Å |
| 113 | N | 94.3 | Very high | 91.1 | Very high | 124 Ų | 124 | 58 Ų | 58 | 66% | 0.663 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -14 | 178.2 | -72.6 | -23.1 | 0 | 0 | 0 | 113.3 | I109 V110 I111 | I109-N113 VanDerWaalsContact O-CG 3.28Å; I109-N113 PolarHBondContact O-N 3.46Å; I109-N113 PolarHBondContact O-ND2 2.65Å; V110-N113 PolarHBondContact O-N 3.34Å; I111-N113 VanDerWaalsContact C-N 3.3Å; I111-N113 PolarHBondContact O-N 3.4Å |
| 114 | M | 91.3 | Very high | 90.3 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -11.6 | 177 | -62.5 | 172.2 | 173.4 | 0 | 0 | 112.7 | V110 I111 S112 E116 M137 T198 M203 | V110-M114 HydrophobicContact CG1-CE 3.96Å; V110-M114 WeakPolarHBondContact O-CG 3.36Å; I111-M114 WeakPolarHBondContact O-CB 3.3Å; I111-M114 PolarHBondContact O-N 2.86Å; I111-M114 VanDerWaalsContact O-N 3.1Å; S112-M114 PolarHBondContact O-N 3.39Å; M114-E116 PolarHBondContact O-N 3.39Å; M114-M137 HydrophobicContact CB-CE 3.61Å; M114-M137 VanDerWaalsContact O-CE 3.3Å; M114-M137 WeakPolarHBondContact O-CE 3.38Å; M114-T198 HydrophobicContact SD-CG2 4.44Å; M114-M203 WeakPolarHBondContact O-CB 3.36Å |
| 115 | A | 91.1 | Very high | 89.7 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 28% | 0.281 | 39% | 0.389 | S | S | . | . | trans | -86.5 | 98.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S112 M137 M203 | S112-A115 PolarHBondContact O-N 3.01Å; A115-M137 HydrophobicContact CB-SD 4.31Å; A115-M203 HydrophobicContact CB-SD 4.31Å | ||
| 116 | E | 92.2 | Very high | 89 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | trans | -101.3 | 151.7 | 172.3 | -52.3 | 176.1 | 175.5 | 0 | 0 | 110.7 | M114 M203 | M114-E116 PolarHBondContact O-N 3.39Å; E116-M203 VanDerWaalsContact CB-O 3.29Å; E116-M203 WeakPolarHBondContact CB-O 3.11Å; E116-M203 WeakPolarHBondContact CG-O 3.45Å | ||
| 117 | S | 88.5 | Confident | 88.5 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | trans | -73.7 | 142.5 | 174.9 | 56 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 118 | F | 87.4 | Confident | 88.1 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 10% | 0.101 | 40% | 0.396 | C | S | . | . | trans | -126 | 155 | 170.7 | 57.5 | -101.7 | 0 | 0 | 0 | 110.1 | P46 F47 G120 I126 N130 M203 D205 | P46-F118 HydrophobicContact CB-CE1 4.37Å; P46-F118 HydrophobicContact CB-CZ 4.31Å; P46-F118 HydrophobicContact CG-CE1 4.48Å; P46-F118 HydrophobicContact CG-CZ 4.02Å; F47-F118 HydrophobicContact CD2-CE1 4.25Å; F47-F118 HydrophobicContact CD2-CZ 4.01Å; F47-F118 HydrophobicContact CE1-CD1 4.38Å; F47-F118 HydrophobicContact CE1-CE1 4.12Å; F47-F118 HydrophobicContact CE2-CD1 4.07Å; F47-F118 HydrophobicContact CE2-CD2 4.39Å; F47-F118 AromaticContact CE2-CE1 3.54Å; F47-F118 HydrophobicContact CE2-CE1 3.54Å; F47-F118 AromaticContact CE2-CE2 3.87Å; F47-F118 HydrophobicContact CE2-CE2 3.87Å; F47-F118 HydrophobicContact CE2-CG 4.47Å; F47-F118 AromaticContact CE2-CZ 3.42Å; F47-F118 HydrophobicContact CE2-CZ 3.42Å; F47-F118 VanDerWaalsContact CE2-CZ 3.42Å; F47-F118 AromaticContact CZ-CD1 3.63Å; F47-F118 HydrophobicContact CZ-CD1 3.63Å; F47-F118 AromaticContact CZ-CE1 3.45Å; F47-F118 HydrophobicContact CZ-CE1 3.45Å; F47-F118 VanDerWaalsContact CZ-CE1 3.45Å; F47-F118 HydrophobicContact CZ-CE2 4.39Å; F47-F118 HydrophobicContact CZ-CG 4.21Å; F47-F118 AromaticContact CZ-CZ 3.86Å; F47-F118 HydrophobicContact CZ-CZ 3.86Å; F118-G120 WeakPolarHBondContact CE2-O 3.3Å; F118-I126 HydrophobicContact CD2-CG1 4.27Å; F118-I126 HydrophobicContact CE2-CB 4.45Å; F118-I126 HydrophobicContact CE2-CD1 3.98Å; F118-I126 HydrophobicContact CE2-CG1 3.69Å; F118-I126 HydrophobicContact CE2-CG2 4.1Å; F118-I126 HydrophobicContact CZ-CD1 4.5Å; F118-I126 HydrophobicContact CZ-CG1 4.42Å; F118-I126 HydrophobicContact CZ-CG2 4.09Å; F118-N130 HydrophobicContact CD1-CB 4.29Å; F118-N130 HydrophobicContact CE1-CB 4.13Å; F118-M203 HydrophobicContact CD1-CE 4.23Å; F118-M203 HydrophobicContact CD1-CG 4.41Å; F118-M203 HydrophobicContact CE1-CE 3.57Å; F118-M203 HydrophobicContact CE1-CG 4.5Å; F118-D205 VanDerWaalsContact CB-OD1 3.31Å; F118-D205 WeakPolarHBondContact CB-OD1 3.31Å | ||
| 119 | S | 82.1 | Confident | 87.8 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | trans | -96 | -10.9 | -172.9 | -52 | 0 | 0 | 0 | 0 | 114.6 | D205 | S119-D205 PolarHBondContact N-OD2 3.42Å; S119-D205 PolarHBondContact OG-OD2 3.47Å | ||
| 120 | G | 78.7 | Confident | 87.6 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 19% | 0.186 | 39% | 0.393 | C | S | . | . | trans | -68.9 | 133 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | F118 T125 I126 | F118-G120 WeakPolarHBondContact CE2-O 3.3Å; G120-T125 WeakPolarHBondContact CA-OG1 3.41Å; G120-I126 WeakPolarHBondContact O-CG1 3.5Å | ||
| 121 | T | 80.1 | Confident | 87.4 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 79% | 0.785 | 38% | 0.382 | S | S | * | . | trans | -110.8 | -19.4 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | T125 | T121-T125 PolarHBondContact N-OG1 3.02Š| ||
| 122 | T | 80.7 | Confident | 87.4 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 36% | 0.362 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -99.3 | 148.2 | 178 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | E124 T125 I126 | T122-E124 PolarHBondContact O-N 3.49Å; T122-E124 VanDerWaalsContact O-N 3.14Å; T122-T125 PolarHBondContact N-OG1 3.47Å; T122-T125 VanDerWaalsContact N-OG1 3.08Å; T122-T125 PolarHBondContact O-N 3.13Å; T122-T125 PolarHBondContact O-OG1 2.95Å; T122-T125 WeakPolarHBondContact OG1-CB 3.4Å; T122-T125 WeakPolarHBondContact OG1-CG2 3.39Å; T122-T125 PolarHBondContact OG1-OG1 3.46Å; T122-I126 WeakPolarHBondContact O-CG1 3.36Å; T122-I126 PolarHBondContact O-N 2.9Å |
| 123 | P | 81.6 | Confident | 87.3 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 28% | 0.279 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -53.8 | -35.2 | 179.8 | -27.5 | 35.8 | 0 | 0 | 0 | 114 | G127 | P123-G127 PolarHBondContact O-N 3.26Å |
| 124 | E | 79.9 | Confident | 87.3 | Confident | 157 Ų | 157 | 61.8 Ų | 61.8 | 73% | 0.734 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68 | -37.8 | 176.7 | -57.1 | 82.8 | -174.4 | 0 | 0 | 112.2 | T122 | T122-E124 PolarHBondContact O-N 3.49Å; T122-E124 VanDerWaalsContact O-N 3.14Å |
| 125 | T | 83.3 | Confident | 87.5 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -76.9 | -33.8 | 179.4 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | G120 T121 T122 G127 | G120-T125 WeakPolarHBondContact CA-OG1 3.41Å; T121-T125 PolarHBondContact N-OG1 3.02Å; T122-T125 PolarHBondContact N-OG1 3.47Å; T122-T125 VanDerWaalsContact N-OG1 3.08Å; T122-T125 PolarHBondContact O-N 3.13Å; T122-T125 PolarHBondContact O-OG1 2.95Å; T122-T125 WeakPolarHBondContact OG1-CB 3.4Å; T122-T125 WeakPolarHBondContact OG1-CG2 3.39Å; T122-T125 PolarHBondContact OG1-OG1 3.46Å; T125-G127 VanDerWaalsContact C-N 3.32Å |
| 126 | I | 84.2 | Confident | 87.8 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.077 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 176.2 | -66.3 | 171.9 | 0 | 0 | 0 | 109.7 | P46 F118 G120 T122 N130 Y131 | P46-I126 HydrophobicContact CG-CG2 4.04Å; F118-I126 HydrophobicContact CD2-CG1 4.27Å; F118-I126 HydrophobicContact CE2-CB 4.45Å; F118-I126 HydrophobicContact CE2-CD1 3.98Å; F118-I126 HydrophobicContact CE2-CG1 3.69Å; F118-I126 HydrophobicContact CE2-CG2 4.1Å; F118-I126 HydrophobicContact CZ-CD1 4.5Å; F118-I126 HydrophobicContact CZ-CG1 4.42Å; F118-I126 HydrophobicContact CZ-CG2 4.09Å; G120-I126 WeakPolarHBondContact O-CG1 3.5Å; T122-I126 WeakPolarHBondContact O-CG1 3.36Å; T122-I126 PolarHBondContact O-N 2.9Å; I126-N130 HydrophobicContact CG2-CB 3.58Å; I126-N130 WeakPolarHBondContact O-CB 3.4Å; I126-N130 PolarHBondContact O-ND2 2.97Å; I126-Y131 HydrophobicContact CB-CE2 3.81Å; I126-Y131 WeakPolarHBondContact CD1-OH 3.35Å; I126-Y131 HydrophobicContact CG2-CD2 3.9Å; I126-Y131 HydrophobicContact CG2-CE2 3.54Å |
| 127 | G | 86.6 | Confident | 88 | Confident | 26 Ų | 26 | 58 Ų | 58 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | 71.6 | 160.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | P123 T125 R129 N130 Y131 | P123-G127 PolarHBondContact O-N 3.26Å; T125-G127 VanDerWaalsContact C-N 3.32Å; G127-R129 PolarHBondContact O-N 3.45Å; G127-R129 VanDerWaalsContact O-N 3.12Å; G127-N130 PolarHBondContact O-N 3.12Å; G127-Y131 VanDerWaalsContact O-CD2 3.28Å; G127-Y131 WeakPolarHBondContact O-CD2 3.1Å; G127-Y131 PolarHBondContact O-N 2.94Å |
| 128 | A | 88.7 | Confident | 88.4 | Confident | 82 Ų | 82 | 55 Ų | 55 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59 | -28.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q132 | A128-Q132 VanDerWaalsContact O-CB 3.27Å; A128-Q132 WeakPolarHBondContact O-CB 3.49Å; A128-Q132 PolarHBondContact O-N 3.13Å |
| 129 | R | 90.7 | Very high | 88.9 | Confident | 117 Ų | 117 | 55 Ų | 55 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 179 | -173.3 | -177 | 72.1 | -169 | -2.4 | 111.9 | G127 Q132 A133 G204 D205 | G127-R129 PolarHBondContact O-N 3.45Å; G127-R129 VanDerWaalsContact O-N 3.12Å; R129-Q132 PolarHBondContact O-N 3.29Å; R129-A133 WeakPolarHBondContact O-CB 3.42Å; R129-A133 PolarHBondContact O-N 3.49Å; R129-G204 PolarHBondContact NH2-O 2.69Å; R129-D205 PolarHBondContact NH2-OXT 3.4Å |
| 130 | N | 91.6 | Very high | 89.6 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.4 | -34.5 | -176.2 | -74.5 | -43.4 | 0 | 0 | 0 | 112.2 | F118 I126 G127 A133 G134 G204 | F118-N130 HydrophobicContact CD1-CB 4.29Å; F118-N130 HydrophobicContact CE1-CB 4.13Å; I126-N130 HydrophobicContact CG2-CB 3.58Å; I126-N130 WeakPolarHBondContact O-CB 3.4Å; I126-N130 PolarHBondContact O-ND2 2.97Å; G127-N130 PolarHBondContact O-N 3.12Å; N130-A133 PolarHBondContact O-N 3.46Å; N130-G134 PolarHBondContact O-N 3Å; N130-G204 PolarHBondContact ND2-O 3.16Å; N130-G204 PolarHBondContact OD1-N 3.01Å; N130-G204 VanDerWaalsContact OD1-N 3.08Å; N130-G204 PolarHBondContact OD1-O 3.33Å; N130-G204 VanDerWaalsContact OD1-O 3.05Å |
| 131 | Y | 92.9 | Very high | 90.5 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 170.8 | -74.8 | -71.7 | 0 | 0 | 0 | 112 | T42 P46 I126 G127 A133 G134 Y135 | T42-Y131 WeakPolarHBondContact O-CE1 3.35Å; T42-Y131 PolarHBondContact O-OH 3.47Å; P46-Y131 HydrophobicContact CG-CD1 3.73Å; P46-Y131 HydrophobicContact CG-CE1 3.79Å; P46-Y131 HydrophobicContact CG-CG 4.33Å; I126-Y131 HydrophobicContact CB-CE2 3.81Å; I126-Y131 WeakPolarHBondContact CD1-OH 3.35Å; I126-Y131 HydrophobicContact CG2-CD2 3.9Å; I126-Y131 HydrophobicContact CG2-CE2 3.54Å; G127-Y131 VanDerWaalsContact O-CD2 3.28Å; G127-Y131 WeakPolarHBondContact O-CD2 3.1Å; G127-Y131 PolarHBondContact O-N 2.94Å; Y131-A133 PolarHBondContact O-N 3.38Å; Y131-G134 PolarHBondContact O-N 2.88Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.37Å; Y131-Y135 PolarHBondContact O-N 3.07Å |
| 132 | Q | 93.6 | Very high | 91.4 | Very high | 132 Ų | 132 | 45.4 Ų | 45.4 | 62% | 0.617 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -57.7 | -39.2 | 175.6 | -177.8 | -179.7 | -2.3 | 0 | 0 | 111.1 | A128 R129 S136 | A128-Q132 VanDerWaalsContact O-CB 3.27Å; A128-Q132 WeakPolarHBondContact O-CB 3.49Å; A128-Q132 PolarHBondContact O-N 3.13Å; R129-Q132 PolarHBondContact O-N 3.29Å; Q132-S136 VanDerWaalsContact O-CB 3.27Å; Q132-S136 WeakPolarHBondContact O-CB 3.36Å; Q132-S136 PolarHBondContact O-N 3.19Å |
| 133 | A | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -50.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R129 N130 Y131 Y135 S136 M137 V201 M203 | R129-A133 WeakPolarHBondContact O-CB 3.42Å; R129-A133 PolarHBondContact O-N 3.49Å; N130-A133 PolarHBondContact O-N 3.46Å; Y131-A133 PolarHBondContact O-N 3.38Å; A133-Y135 PolarHBondContact O-N 3.29Å; A133-S136 PolarHBondContact O-N 2.92Å; A133-M137 HydrophobicContact CB-CE 4.5Å; A133-M137 VanDerWaalsContact O-CG 3.26Å; A133-M137 WeakPolarHBondContact O-CG 3.1Å; A133-M137 PolarHBondContact O-N 3.34Å; A133-V201 VanDerWaalsContact CA-CG1 3.43Å; A133-V201 HydrophobicContact CB-CG1 3.47Å; A133-V201 VanDerWaalsContact CB-CG1 3.47Å; A133-M203 HydrophobicContact CB-CB 3.86Å; A133-M203 HydrophobicContact CB-CG 4.23Å |
| 134 | G | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -46.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N130 Y131 M137 F138 | N130-G134 PolarHBondContact O-N 3Å; Y131-G134 PolarHBondContact O-N 2.88Å; G134-M137 PolarHBondContact O-N 2.95Å; G134-F138 WeakPolarHBondContact O-CB 3.4Å; G134-F138 PolarHBondContact O-N 3.44Å |
| 135 | Y | 96.1 | Very high | 93.8 | Very high | 73 Ų | 73 | 35.2 Ų | 35.2 | 29% | 0.286 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.2 | -39.1 | 178.8 | -60.7 | -40.2 | 0 | 0 | 0 | 113.2 | L41 W49 Y131 A133 F138 G139 | L41-Y135 WeakPolarHBondContact CB-OH 3.39Å; L41-Y135 HydrophobicContact CD2-CE1 4.25Å; L41-Y135 PolarHBondContact O-OH 3.44Å; W49-Y135 HydrophobicContact CB-CD1 4.49Å; W49-Y135 AromaticContact CD1-CE1 3.62Å; W49-Y135 HydrophobicContact CD2-CD1 4.24Å; W49-Y135 HydrophobicContact CD2-CE1 4.16Å; W49-Y135 AromaticContact CE2-CE1 3.88Å; W49-Y135 HydrophobicContact CG-CD1 4.02Å; W49-Y135 HydrophobicContact CG-CE1 4Å; W49-Y135 AromaticContact NE1-CE1 3.53Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.37Å; Y131-Y135 PolarHBondContact O-N 3.07Å; A133-Y135 PolarHBondContact O-N 3.29Å; Y135-F138 PolarHBondContact O-N 3.25Å; Y135-G139 PolarHBondContact O-N 3.1Å |
| 136 | S | 96.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.9 | -37.1 | 178.7 | -167.8 | 0 | 0 | 0 | 0 | 112 | Q132 A133 A140 Q197 V201 | Q132-S136 VanDerWaalsContact O-CB 3.27Å; Q132-S136 WeakPolarHBondContact O-CB 3.36Å; Q132-S136 PolarHBondContact O-N 3.19Å; A133-S136 PolarHBondContact O-N 2.92Å; S136-A140 VanDerWaalsContact O-CB 3.24Å; S136-A140 WeakPolarHBondContact O-CB 3.34Å; S136-A140 PolarHBondContact O-N 3.44Å; S136-Q197 PolarHBondContact OG-O 2.88Å; S136-V201 WeakPolarHBondContact OG-CG2 3.27Å |
| 137 | M | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 174.3 | -69 | 178.7 | -172 | 0 | 0 | 111.4 | A50 I111 M114 A115 A133 G134 G141 V201 M203 | A50-M137 HydrophobicContact CB-CB 4.13Å; A50-M137 HydrophobicContact CB-SD 3.62Å; I111-M137 HydrophobicContact CG2-CB 3.79Å; I111-M137 HydrophobicContact CG2-CG 3.83Å; I111-M137 HydrophobicContact CG2-SD 4.4Å; M114-M137 HydrophobicContact CB-CE 3.61Å; M114-M137 VanDerWaalsContact O-CE 3.3Å; M114-M137 WeakPolarHBondContact O-CE 3.38Å; A115-M137 HydrophobicContact CB-SD 4.31Å; A133-M137 HydrophobicContact CB-CE 4.5Å; A133-M137 VanDerWaalsContact O-CG 3.26Å; A133-M137 WeakPolarHBondContact O-CG 3.1Å; A133-M137 PolarHBondContact O-N 3.34Å; G134-M137 PolarHBondContact O-N 2.95Å; M137-G141 PolarHBondContact O-N 3.13Å; M137-V201 HydrophobicContact CE-CG1 4.15Å; M137-M203 HydrophobicContact CE-CB 3.76Å; M137-M203 HydrophobicContact CE-SD 4.04Å; M137-M203 HydrophobicContact SD-SD 4.06Å |
| 138 | F | 97.7 | Very high | 95.7 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 18% | 0.184 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -49.9 | 173.9 | -178.8 | -114.4 | 0 | 0 | 0 | 112.5 | W49 L52 L56 G134 Y135 A140 G141 L142 | W49-F138 HydrophobicContact CB-CB 4.01Å; W49-F138 HydrophobicContact CE3-CB 4.32Å; W49-F138 AromaticContact CE3-CD1 3.58Å; W49-F138 HydrophobicContact CE3-CD1 3.58Å; W49-F138 AromaticContact CE3-CD2 3.92Å; W49-F138 HydrophobicContact CE3-CD2 3.92Å; W49-F138 AromaticContact CE3-CE1 3.73Å; W49-F138 HydrophobicContact CE3-CE1 3.73Å; W49-F138 HydrophobicContact CE3-CE2 4.08Å; W49-F138 AromaticContact CE3-CG 3.67Å; W49-F138 HydrophobicContact CE3-CG 3.67Å; W49-F138 AromaticContact CE3-CZ 3.97Å; W49-F138 HydrophobicContact CE3-CZ 3.97Å; W49-F138 AromaticContact CZ3-CD1 3.89Å; W49-F138 HydrophobicContact CZ3-CD1 3.89Å; W49-F138 AromaticContact CZ3-CE1 3.56Å; W49-F138 HydrophobicContact CZ3-CE1 3.56Å; W49-F138 HydrophobicContact CZ3-CE2 4.28Å; W49-F138 HydrophobicContact CZ3-CG 4.36Å; W49-F138 AromaticContact CZ3-CZ 3.77Å; W49-F138 HydrophobicContact CZ3-CZ 3.77Å; W49-F138 WeakPolarHBondContact O-CB 3.32Å; L52-F138 HydrophobicContact CB-CD2 4.36Å; L52-F138 HydrophobicContact CB-CE2 4.39Å; L52-F138 HydrophobicContact CD2-CD2 4.33Å; L52-F138 HydrophobicContact CD2-CE2 3.62Å; L52-F138 HydrophobicContact CD2-CZ 4.41Å; L52-F138 HydrophobicContact CG-CD2 4.33Å; L52-F138 HydrophobicContact CG-CE2 3.89Å; L56-F138 HydrophobicContact CD1-CE2 4.18Å; G134-F138 WeakPolarHBondContact O-CB 3.4Å; G134-F138 PolarHBondContact O-N 3.44Å; Y135-F138 PolarHBondContact O-N 3.25Å; F138-A140 PolarHBondContact O-N 3.46Å; F138-G141 PolarHBondContact O-N 3.29Å; F138-L142 HydrophobicContact CD1-CD1 3.96Å; F138-L142 HydrophobicContact CE1-CD1 3.37Å; F138-L142 HydrophobicContact CE1-CG 4.28Å; F138-L142 HydrophobicContact CE2-CD1 4.05Å; F138-L142 HydrophobicContact CE2-CD2 4.47Å; F138-L142 HydrophobicContact CE2-CG 4.13Å; F138-L142 HydrophobicContact CZ-CD1 3.43Å; F138-L142 VanDerWaalsContact CZ-CD1 3.43Å; F138-L142 HydrophobicContact CZ-CD2 4.41Å; F138-L142 HydrophobicContact CZ-CG 4.02Å; F138-L142 PolarHBondContact O-N 3.25Å |
| 139 | G | 97.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 24% | 0.237 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y135 L142 T143 Q197 | Y135-G139 PolarHBondContact O-N 3.1Å; G139-L142 PolarHBondContact O-N 3.17Å; G139-T143 WeakPolarHBondContact O-CB 3.45Å; G139-T143 PolarHBondContact O-N 3.2Å; G139-T143 PolarHBondContact O-OG1 3.02Å; G139-Q197 VanDerWaalsContact C-OE1 3.26Å; G139-Q197 PolarHBondContact O-OE1 3.32Å |
| 140 | A | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I111 S136 F138 T143 V144 A194 Q197 T198 | I111-A140 HydrophobicContact CD1-CB 3.98Å; S136-A140 VanDerWaalsContact O-CB 3.24Å; S136-A140 WeakPolarHBondContact O-CB 3.34Å; S136-A140 PolarHBondContact O-N 3.44Å; F138-A140 PolarHBondContact O-N 3.46Å; A140-T143 PolarHBondContact O-N 3.43Å; A140-V144 WeakPolarHBondContact O-CG1 3.46Å; A140-V144 PolarHBondContact O-N 3Å; A140-A194 HydrophobicContact CB-CB 4.13Å; A140-Q197 HydrophobicContact CB-CB 4.38Å; A140-T198 HydrophobicContact CB-CG2 3.5Å; A140-T198 VanDerWaalsContact CB-CG2 3.5Å |
| 141 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G53 M137 F138 V144 G145 | G53-G141 WeakPolarHBondContact O-CA 3.42Å; M137-G141 PolarHBondContact O-N 3.13Å; F138-G141 PolarHBondContact O-N 3.29Å; G141-V144 WeakPolarHBondContact O-CG1 3.39Å; G141-G145 PolarHBondContact O-N 3.44Å |
| 142 | L | 98.1 | Very high | 97 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 25% | 0.246 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 173.8 | -76.4 | 179.9 | 0 | 0 | 0 | 112.3 | L56 F138 G139 G145 F146 | L56-L142 HydrophobicContact CD1-CD2 3.6Å; F138-L142 HydrophobicContact CD1-CD1 3.96Å; F138-L142 HydrophobicContact CE1-CD1 3.37Å; F138-L142 HydrophobicContact CE1-CG 4.28Å; F138-L142 HydrophobicContact CE2-CD1 4.05Å; F138-L142 HydrophobicContact CE2-CD2 4.47Å; F138-L142 HydrophobicContact CE2-CG 4.13Å; F138-L142 HydrophobicContact CZ-CD1 3.43Å; F138-L142 VanDerWaalsContact CZ-CD1 3.43Å; F138-L142 HydrophobicContact CZ-CD2 4.41Å; F138-L142 HydrophobicContact CZ-CG 4.02Å; F138-L142 PolarHBondContact O-N 3.25Å; G139-L142 PolarHBondContact O-N 3.17Å; L142-G145 PolarHBondContact O-N 3.46Å; L142-F146 HydrophobicContact CD2-CD2 4.26Å; L142-F146 HydrophobicContact CD2-CE2 3.89Å; L142-F146 WeakPolarHBondContact O-CD2 3.34Å; L142-F146 PolarHBondContact O-N 3.25Å |
| 143 | T | 97.7 | Very high | 97.2 | Very high | 45 Ų | 45 | 26.4 Ų | 26.4 | 28% | 0.276 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.5 | -51.2 | -178.4 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | G139 A140 S147 V193 Q197 | G139-T143 WeakPolarHBondContact O-CB 3.45Å; G139-T143 PolarHBondContact O-N 3.2Å; G139-T143 PolarHBondContact O-OG1 3.02Å; A140-T143 PolarHBondContact O-N 3.43Å; T143-S147 WeakPolarHBondContact O-CB 3.42Å; T143-S147 PolarHBondContact O-N 3.49Å; T143-V193 HydrophobicContact CG2-CB 4.19Å; T143-V193 HydrophobicContact CG2-CG1 3.93Å; T143-Q197 PolarHBondContact OG1-NE2 2.78Å |
| 144 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.8 | -43.1 | 179.1 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | A57 M107 A140 G141 S147 N148 V191 A194 | A57-V144 HydrophobicContact CB-CG1 3.59Å; M107-V144 HydrophobicContact CB-CG1 4.21Å; M107-V144 HydrophobicContact CB-CG2 4.09Å; M107-V144 HydrophobicContact CG-CG2 3.95Å; A140-V144 WeakPolarHBondContact O-CG1 3.46Å; A140-V144 PolarHBondContact O-N 3Å; G141-V144 WeakPolarHBondContact O-CG1 3.39Å; V144-S147 PolarHBondContact O-N 2.99Å; V144-N148 WeakPolarHBondContact CG2-ND2 3.23Å; V144-N148 WeakPolarHBondContact O-CB 3.44Å; V144-N148 VanDerWaalsContact O-CG 3.26Å; V144-N148 PolarHBondContact O-N 3.29Å; V144-N148 PolarHBondContact O-ND2 3.06Å; V144-V191 HydrophobicContact CG2-CG2 4.13Å; V144-A194 HydrophobicContact CB-CB 4.21Å |
| 145 | G | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -50.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L60 G141 L142 L149 | L60-G145 WeakPolarHBondContact CB-O 3.26Å; G141-G145 PolarHBondContact O-N 3.44Å; L142-G145 PolarHBondContact O-N 3.46Å; G145-L149 WeakPolarHBondContact O-CB 3.49Å; G145-L149 PolarHBondContact O-N 3.46Å |
| 146 | F | 98.2 | Very high | 97.6 | Very high | 92 Ų | 92 | 25.1 Ų | 25.1 | 40% | 0.404 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -71.8 | -39.1 | 178.3 | -81.4 | -65.9 | 0 | 0 | 0 | 113.1 | L60 L142 N148 L149 F150 | L60-F146 HydrophobicContact CD1-CD1 4.42Å; L60-F146 HydrophobicContact CD1-CD2 4.15Å; L60-F146 HydrophobicContact CD1-CE1 4.31Å; L60-F146 HydrophobicContact CD1-CE2 4.05Å; L60-F146 HydrophobicContact CD1-CG 4.34Å; L60-F146 HydrophobicContact CD1-CZ 4.12Å; L142-F146 HydrophobicContact CD2-CD2 4.26Å; L142-F146 HydrophobicContact CD2-CE2 3.89Å; L142-F146 WeakPolarHBondContact O-CD2 3.34Å; L142-F146 PolarHBondContact O-N 3.25Å; F146-N148 VanDerWaalsContact C-N 3.3Å; F146-N148 PolarHBondContact O-N 3.45Å; F146-L149 HydrophobicContact CD1-CD2 4.04Å; F146-L149 HydrophobicContact CE1-CD2 4.27Å; F146-L149 WeakPolarHBondContact O-CB 3.47Å; F146-L149 PolarHBondContact O-N 3.31Å; F146-F150 HydrophobicContact CB-CE2 4.12Å; F146-F150 HydrophobicContact CD1-CE2 4.14Å; F146-F150 AromaticContact CD1-CZ 3.96Å; F146-F150 HydrophobicContact CD1-CZ 3.96Å; F146-F150 WeakPolarHBondContact O-CD2 3.24Å; F146-F150 WeakPolarHBondContact O-CG 3.44Å; F146-F150 PolarHBondContact O-N 3Å |
| 147 | S | 97.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 16% | 0.161 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 176.9 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | T143 V144 C151 I186 | T143-S147 WeakPolarHBondContact O-CB 3.42Å; T143-S147 PolarHBondContact O-N 3.49Å; V144-S147 PolarHBondContact O-N 2.99Å; S147-C151 WeakPolarHBondContact O-CB 3.23Å; S147-C151 PolarHBondContact O-N 3.09Å; S147-I186 PolarHBondContact OG-O 2.92Å |
| 148 | N | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.6 | -39.4 | 176.7 | -74.8 | -9.9 | 0 | 0 | 0 | 112.3 | S61 V100 G104 V144 F146 F150 C151 G152 G187 | S61-N148 VanDerWaalsContact OG-CB 3.31Å; S61-N148 WeakPolarHBondContact OG-CB 3.32Å; S61-N148 PolarHBondContact OG-ND2 3.07Å; V100-N148 HydrophobicContact CG1-CB 3.46Å; V100-N148 VanDerWaalsContact CG1-CB 3.46Å; V100-N148 WeakPolarHBondContact CG1-O 3.41Å; V100-N148 PolarHBondContact O-ND2 3.17Å; G104-N148 PolarHBondContact N-ND2 2.94Å; V144-N148 WeakPolarHBondContact CG2-ND2 3.23Å; V144-N148 WeakPolarHBondContact O-CB 3.44Å; V144-N148 VanDerWaalsContact O-CG 3.26Å; V144-N148 PolarHBondContact O-N 3.29Å; V144-N148 PolarHBondContact O-ND2 3.06Å; F146-N148 VanDerWaalsContact C-N 3.3Å; F146-N148 PolarHBondContact O-N 3.45Å; N148-F150 PolarHBondContact O-N 3.46Å; N148-C151 PolarHBondContact O-N 2.93Å; N148-G152 PolarHBondContact O-N 3.44Å; N148-G187 WeakPolarHBondContact OD1-CA 3.41Å |
| 149 | L | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 12% | 0.115 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.8 | -53 | 174 | 177.1 | 63.3 | 0 | 0 | 0 | 111.4 | V63 G145 F146 I153 | V63-L149 HydrophobicContact CB-CD1 4.26Å; V63-L149 HydrophobicContact CG1-CD1 3.83Å; G145-L149 WeakPolarHBondContact O-CB 3.49Å; G145-L149 PolarHBondContact O-N 3.46Å; F146-L149 HydrophobicContact CD1-CD2 4.04Å; F146-L149 HydrophobicContact CE1-CD2 4.27Å; F146-L149 WeakPolarHBondContact O-CB 3.47Å; F146-L149 PolarHBondContact O-N 3.31Å; L149-I153 HydrophobicContact CD1-CD1 4.06Å; L149-I153 HydrophobicContact CG-CD1 4.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.33Å; L149-I153 PolarHBondContact O-N 2.96Å |
| 150 | F | 98 | Very high | 97.6 | Very high | 123 Ų | 123 | 28.4 Ų | 28.4 | 54% | 0.539 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -71.4 | -37.1 | -178.4 | -59.1 | -41.5 | 0 | 0 | 0 | 112.6 | F146 N148 I153 C154 | F146-F150 HydrophobicContact CB-CE2 4.12Å; F146-F150 HydrophobicContact CD1-CE2 4.14Å; F146-F150 AromaticContact CD1-CZ 3.96Å; F146-F150 HydrophobicContact CD1-CZ 3.96Å; F146-F150 WeakPolarHBondContact O-CD2 3.24Å; F146-F150 WeakPolarHBondContact O-CG 3.44Å; F146-F150 PolarHBondContact O-N 3Å; N148-F150 PolarHBondContact O-N 3.46Å; F150-I153 PolarHBondContact O-N 3.43Å; F150-C154 VanDerWaalsContact O-CB 3.25Å; F150-C154 WeakPolarHBondContact O-CB 3.31Å; F150-C154 PolarHBondContact O-N 3.41Å |
| 151 | C | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.1 | -48.8 | 173.8 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | V100 S147 N148 I153 C154 V155 G183 I186 G187 | V100-C151 HydrophobicContact CG2-CB 4.44Å; S147-C151 WeakPolarHBondContact O-CB 3.23Å; S147-C151 PolarHBondContact O-N 3.09Å; N148-C151 PolarHBondContact O-N 2.93Å; C151-I153 PolarHBondContact O-N 2.92Å; C151-C154 WeakPolarHBondContact O-CB 3.49Å; C151-C154 PolarHBondContact O-N 2.92Å; C151-V155 WeakPolarHBondContact O-CG2 3.29Å; C151-V155 PolarHBondContact O-N 2.93Å; C151-G183 PolarHBondContact SG-O 2.82Å; C151-I186 HydrophobicContact CB-CB 4.23Å; C151-I186 HydrophobicContact CB-CG2 4.4Å; C151-G187 PolarHBondContact SG-N 3.47Å; C151-G187 VanDerWaalsContact SG-N 3.44Å |
| 152 | G | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | G68 N148 G156 | G68-G152 WeakPolarHBondContact CA-O 3.3Å; N148-G152 PolarHBondContact O-N 3.44Å; G152-G156 PolarHBondContact O-N 3.33Å |
| 153 | I | 97.8 | Very high | 97.3 | Very high | 40 Ų | 40 | 28 Ų | 28 | 21% | 0.205 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 174.9 | -64.8 | 166.6 | 0 | 0 | 0 | 110.8 | W67 L149 F150 C151 G156 I157 | W67-I153 HydrophobicContact CB-CG1 4.14Å; W67-I153 HydrophobicContact CD2-CG1 4.5Å; W67-I153 HydrophobicContact CG-CG1 4.08Å; L149-I153 HydrophobicContact CD1-CD1 4.06Å; L149-I153 HydrophobicContact CG-CD1 4.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.33Å; L149-I153 PolarHBondContact O-N 2.96Å; F150-I153 PolarHBondContact O-N 3.43Å; C151-I153 PolarHBondContact O-N 2.92Å; I153-G156 PolarHBondContact O-N 3.48Å; I153-I157 HydrophobicContact CG2-CD1 3.79Å; I153-I157 HydrophobicContact CG2-CG1 4.44Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.37Å; I153-I157 PolarHBondContact O-N 2.96Å |
| 154 | C | 97.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 30 Ų | 30 | 32% | 0.324 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.3 | -53.1 | 179 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | F150 C151 G156 I157 V158 | F150-C154 VanDerWaalsContact O-CB 3.25Å; F150-C154 WeakPolarHBondContact O-CB 3.31Å; F150-C154 PolarHBondContact O-N 3.41Å; C151-C154 WeakPolarHBondContact O-CB 3.49Å; C151-C154 PolarHBondContact O-N 2.92Å; C154-G156 VanDerWaalsContact C-N 3.29Å; C154-G156 PolarHBondContact O-N 3.37Å; C154-I157 PolarHBondContact O-N 3.3Å; C154-V158 WeakPolarHBondContact O-CG2 3.41Å; C154-V158 PolarHBondContact O-N 3.48Å; C154-V158 VanDerWaalsContact O-N 3.09Å |
| 155 | V | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | F96 C151 I157 V158 G159 | F96-V155 HydrophobicContact CB-CG1 3.77Å; C151-V155 WeakPolarHBondContact O-CG2 3.29Å; C151-V155 PolarHBondContact O-N 2.93Å; V155-I157 PolarHBondContact O-N 3.4Å; V155-V158 PolarHBondContact O-N 3.03Å; V155-G159 PolarHBondContact O-N 3.11Å |
| 156 | G | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I71 T72 G152 I153 C154 G159 S160 | I71-G156 WeakPolarHBondContact CG2-O 3.42Å; T72-G156 WeakPolarHBondContact OG1-CA 3.39Å; T72-G156 PolarHBondContact OG1-O 3.47Å; G152-G156 PolarHBondContact O-N 3.33Å; I153-G156 PolarHBondContact O-N 3.48Å; C154-G156 VanDerWaalsContact C-N 3.29Å; C154-G156 PolarHBondContact O-N 3.37Å; G156-G159 PolarHBondContact O-N 2.96Å; G156-S160 WeakPolarHBondContact O-CB 3.13Å; G156-S160 PolarHBondContact O-N 3.14Å |
| 157 | I | 98.1 | Very high | 96.8 | Very high | 100 Ų | 100 | 27.7 Ų | 27.7 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66 | -44.9 | 176.3 | -68 | 166.9 | 0 | 0 | 0 | 110.5 | I71 I153 C154 V155 S160 G161 | I71-I157 HydrophobicContact CD1-CG1 4.12Å; I153-I157 HydrophobicContact CG2-CD1 3.79Å; I153-I157 HydrophobicContact CG2-CG1 4.44Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.37Å; I153-I157 PolarHBondContact O-N 2.96Å; C154-I157 PolarHBondContact O-N 3.3Å; V155-I157 PolarHBondContact O-N 3.4Å; I157-S160 PolarHBondContact O-N 3.09Å; I157-G161 PolarHBondContact O-N 3.38Å |
| 158 | V | 97.4 | Very high | 96.7 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 21% | 0.212 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | C154 V155 S160 G161 A162 I176 V179 E180 | C154-V158 WeakPolarHBondContact O-CG2 3.41Å; C154-V158 PolarHBondContact O-N 3.48Å; C154-V158 VanDerWaalsContact O-N 3.09Å; V155-V158 PolarHBondContact O-N 3.03Å; V158-S160 PolarHBondContact O-N 3.04Å; V158-G161 CarbonylContact O-C 3.51Å; V158-G161 WeakPolarHBondContact O-CA 3.36Å; V158-G161 PolarHBondContact O-N 3.39Å; V158-G161 VanDerWaalsContact O-N 3.13Å; V158-A162 PolarHBondContact O-N 3Å; V158-I176 HydrophobicContact CG1-CG2 4.13Å; V158-V179 HydrophobicContact CG1-CB 4.01Å; V158-V179 HydrophobicContact CG1-CG1 3.94Å; V158-V179 HydrophobicContact CG2-CG1 4.15Å; V158-E180 HydrophobicContact CB-CG 4.17Å; V158-E180 HydrophobicContact CG1-CG 3.6Å |
| 159 | G | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V155 G156 A162 A163 E180 | V155-G159 PolarHBondContact O-N 3.11Å; G156-G159 PolarHBondContact O-N 2.96Å; G159-A162 PolarHBondContact O-N 2.82Å; G159-A163 WeakPolarHBondContact O-CB 3.34Å; G159-A163 PolarHBondContact O-N 3.35Å; G159-E180 WeakPolarHBondContact CA-OE1 3.5Å |
| 160 | S | 97.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 38 Ų | 38 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 170.4 | 167.1 | 0 | 0 | 0 | 0 | 111.7 | S75 G156 I157 V158 A162 A163 L164 | S75-S160 WeakPolarHBondContact OG-CB 3.45Å; S75-S160 PolarHBondContact OG-OG 3.4Å; G156-S160 WeakPolarHBondContact O-CB 3.13Å; G156-S160 PolarHBondContact O-N 3.14Å; I157-S160 PolarHBondContact O-N 3.09Å; V158-S160 PolarHBondContact O-N 3.04Å; S160-A162 PolarHBondContact O-N 3.14Å; S160-A163 PolarHBondContact O-N 3.29Å; S160-L164 WeakPolarHBondContact O-CG 3.24Å; S160-L164 PolarHBondContact O-N 3.06Å; S160-L164 VanDerWaalsContact O-N 3.13Å |
| 161 | G | 95.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 35.5 Ų | 35.5 | 38% | 0.381 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I157 V158 L164 A165 | I157-G161 PolarHBondContact O-N 3.38Å; V158-G161 CarbonylContact O-C 3.51Å; V158-G161 WeakPolarHBondContact O-CA 3.36Å; V158-G161 PolarHBondContact O-N 3.39Å; V158-G161 VanDerWaalsContact O-N 3.13Å; G161-L164 PolarHBondContact O-N 2.76Å; G161-A165 WeakPolarHBondContact O-CB 3.2Å; G161-A165 PolarHBondContact O-N 3.15Å |
| 162 | A | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V158 G159 S160 A165 D166 F173 I176 E180 | V158-A162 PolarHBondContact O-N 3Å; G159-A162 PolarHBondContact O-N 2.82Å; S160-A162 PolarHBondContact O-N 3.14Å; A162-A165 PolarHBondContact O-N 2.65Å; A162-D166 WeakPolarHBondContact O-CB 3.38Å; A162-D166 PolarHBondContact O-N 2.9Å; A162-F173 HydrophobicContact CB-CD2 4.46Å; A162-I176 HydrophobicContact CB-CB 4.23Å; A162-I176 HydrophobicContact CB-CG2 3.64Å; A162-E180 WeakPolarHBondContact CB-OE1 3.28Å |
| 163 | A | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I76 N90 G159 S160 D166 A167 | I76-A163 HydrophobicContact CG1-CB 3.77Å; N90-A163 VanDerWaalsContact ND2-CA 3.31Å; N90-A163 WeakPolarHBondContact ND2-CA 3.37Å; G159-A163 WeakPolarHBondContact O-CB 3.34Å; G159-A163 PolarHBondContact O-N 3.35Å; S160-A163 PolarHBondContact O-N 3.29Å; A163-D166 PolarHBondContact O-N 3.46Å; A163-A167 PolarHBondContact O-N 3.35Å; A163-A167 VanDerWaalsContact O-N 3.12Å |
| 164 | L | 95.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.1 | -37.4 | 178.9 | -67 | 173.5 | 0 | 0 | 0 | 112.2 | S160 G161 A167 | S160-L164 WeakPolarHBondContact O-CG 3.24Å; S160-L164 PolarHBondContact O-N 3.06Å; S160-L164 VanDerWaalsContact O-N 3.13Å; G161-L164 PolarHBondContact O-N 2.76Å; L164-A167 WeakPolarHBondContact O-CB 3.49Å |
| 165 | A | 95.3 | Very high | 95 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 21% | 0.207 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | G161 A162 A167 Q168 N169 L172 I176 | G161-A165 WeakPolarHBondContact O-CB 3.2Å; G161-A165 PolarHBondContact O-N 3.15Å; A162-A165 PolarHBondContact O-N 2.65Å; A165-A167 VanDerWaalsContact C-N 3.27Å; A165-A167 PolarHBondContact O-N 3.32Å; A165-Q168 PolarHBondContact O-N 3.26Å; A165-Q168 VanDerWaalsContact O-N 3.13Å; A165-N169 PolarHBondContact O-N 3.39Å; A165-L172 HydrophobicContact CB-CD1 4.41Å; A165-I176 HydrophobicContact CB-CD1 3.61Å |
| 166 | D | 94.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -31.8 | 177.9 | -165 | 66.3 | 0 | 0 | 0 | 112.2 | R85 I86 K89 N90 A162 A163 Q168 N169 G170 F173 | R85-D166 PolarHBondContact NH2-O 2.94Å; I86-D166 HydrophobicContact CG2-CB 4.3Å; I86-D166 WeakPolarHBondContact CG2-OD2 3.23Å; K89-D166 IonicContact NZ-OD1 2.78Å; K89-D166 PolarHBondContact NZ-OD1 2.74Å; K89-D166 IonicContact NZ-OD2 3.79Å; N90-D166 PolarHBondContact OD1-OD2 3.49Å; A162-D166 WeakPolarHBondContact O-CB 3.38Å; A162-D166 PolarHBondContact O-N 2.9Å; A163-D166 PolarHBondContact O-N 3.46Å; D166-Q168 PolarHBondContact O-N 2.99Å; D166-N169 CarbonylContact O-C 3.5Å; D166-G170 WeakPolarHBondContact OD1-CA 3.37Å; D166-F173 HydrophobicContact CB-CB 4.17Å; D166-F173 WeakPolarHBondContact OD1-CB 3.45Å |
| 167 | A | 94.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A83 I86 A163 L164 A165 | A83-A167 HydrophobicContact CB-CB 4.22Å; I86-A167 HydrophobicContact CD1-CB 4.13Å; I86-A167 HydrophobicContact CG2-CB 4.32Å; A163-A167 PolarHBondContact O-N 3.35Å; A163-A167 VanDerWaalsContact O-N 3.12Å; L164-A167 WeakPolarHBondContact O-CB 3.49Å; A165-A167 VanDerWaalsContact C-N 3.27Å; A165-A167 PolarHBondContact O-N 3.32Å |
| 168 | Q | 95 | Very high | 94.6 | Very high | 167 Ų | 167 | 49.8 Ų | 49.8 | 78% | 0.78 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.5 | -50.8 | 175.3 | -57.5 | -58 | -33.7 | 0 | 0 | 111.9 | A165 D166 | A165-Q168 PolarHBondContact O-N 3.26Å; A165-Q168 VanDerWaalsContact O-N 3.13Å; D166-Q168 PolarHBondContact O-N 2.99Å |
| 169 | N | 94.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | trans | -140.6 | 112.4 | -178.2 | -175.9 | -13 | 0 | 0 | 0 | 111.7 | A165 D166 S171 L172 | A165-N169 PolarHBondContact O-N 3.39Å; D166-N169 CarbonylContact O-C 3.5Å; N169-S171 VanDerWaalsContact CG-OG 3.28Å; N169-S171 PolarHBondContact ND2-OG 3.41Å; N169-S171 PolarHBondContact O-N 3.49Å; N169-S171 VanDerWaalsContact O-N 3.07Å; N169-S171 WeakPolarHBondContact OD1-CB 3.37Å; N169-S171 PolarHBondContact OD1-N 3.33Å; N169-S171 PolarHBondContact OD1-OG 2.99Å; N169-L172 HydrophobicContact CB-CD1 3.88Å; N169-L172 HydrophobicContact CB-CG 4.13Å; N169-L172 PolarHBondContact O-N 3.07Å; N169-L172 VanDerWaalsContact O-N 3.15Å | ||
| 170 | G | 90.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K89 D166 L172 | K89-G170 PolarHBondContact NZ-O 3.4Å; D166-G170 WeakPolarHBondContact OD1-CA 3.37Å; G170-L172 VanDerWaalsContact C-N 3.31Å |
| 171 | S | 93.7 | Very high | 94.4 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 49% | 0.49 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.3 | 179.1 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | N169 | N169-S171 VanDerWaalsContact CG-OG 3.28Å; N169-S171 PolarHBondContact ND2-OG 3.41Å; N169-S171 PolarHBondContact O-N 3.49Å; N169-S171 VanDerWaalsContact O-N 3.07Å; N169-S171 WeakPolarHBondContact OD1-CB 3.37Å; N169-S171 PolarHBondContact OD1-N 3.33Å; N169-S171 PolarHBondContact OD1-OG 2.99Å |
| 172 | L | 93.1 | Very high | 94.4 | Very high | 63 Ų | 63 | 60.1 Ų | 60.1 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -83.4 | -29.1 | -175.1 | -66.2 | 174.4 | 0 | 0 | 0 | 113.4 | A165 N169 G170 V174 K175 I176 | A165-L172 HydrophobicContact CB-CD1 4.41Å; N169-L172 HydrophobicContact CB-CD1 3.88Å; N169-L172 HydrophobicContact CB-CG 4.13Å; N169-L172 PolarHBondContact O-N 3.07Å; N169-L172 VanDerWaalsContact O-N 3.15Å; G170-L172 VanDerWaalsContact C-N 3.31Å; L172-V174 PolarHBondContact O-N 3.19Å; L172-K175 WeakPolarHBondContact O-CB 3.47Å; L172-K175 PolarHBondContact O-N 3.05Å; L172-I176 HydrophobicContact CB-CD1 4.32Å; L172-I176 PolarHBondContact O-N 3.04Å; L172-I176 VanDerWaalsContact O-N 3.15Å |
| 173 | F | 91 | Very high | 94.3 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.044 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.7 | -48.1 | -174.3 | 175.8 | -99.9 | 0 | 0 | 0 | 113.9 | K89 N90 V92 A162 D166 K175 I176 L177 | K89-F173 HydrophobicContact CD-CD1 4.16Å; K89-F173 HydrophobicContact CD-CG 4.37Å; K89-F173 HydrophobicContact CG-CD1 4.01Å; K89-F173 HydrophobicContact CG-CE1 3.97Å; K89-F173 HydrophobicContact CG-CG 4.46Å; K89-F173 HydrophobicContact CG-CZ 4.42Å; K89-F173 WeakPolarHBondContact O-CZ 3.13Å; N90-F173 HydrophobicContact CB-CE2 4.38Å; N90-F173 VanDerWaalsContact ND2-CD2 3.32Å; N90-F173 WeakPolarHBondContact ND2-CD2 3.44Å; N90-F173 VanDerWaalsContact ND2-CE2 3.32Å; N90-F173 WeakPolarHBondContact ND2-CE2 3.5Å; V92-F173 HydrophobicContact CB-CZ 4.41Å; A162-F173 HydrophobicContact CB-CD2 4.46Å; D166-F173 HydrophobicContact CB-CB 4.17Å; D166-F173 WeakPolarHBondContact OD1-CB 3.45Å; F173-K175 PolarHBondContact O-N 3.45Å; F173-I176 PolarHBondContact O-N 2.96Å; F173-I176 VanDerWaalsContact O-N 3.11Å; F173-L177 HydrophobicContact CE1-CD1 4.39Å; F173-L177 HydrophobicContact CE1-CD2 4.4Å; F173-L177 HydrophobicContact CZ-CD1 4.08Å; F173-L177 WeakPolarHBondContact O-CB 3.35Å; F173-L177 PolarHBondContact O-N 3.02Å |
| 174 | V | 92.6 | Very high | 94.2 | Very high | 96 Ų | 96 | 61.2 Ų | 61.2 | 58% | 0.582 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.4 | -31.4 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | L172 | L172-V174 PolarHBondContact O-N 3.19Å |
| 175 | K | 94.2 | Very high | 94.2 | Very high | 147 Ų | 147 | 58.3 Ų | 58.3 | 64% | 0.639 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -73.7 | -38.8 | 177.6 | -58.9 | -178.6 | -177 | -179.7 | 0 | 111.5 | L172 F173 | L172-K175 WeakPolarHBondContact O-CB 3.47Å; L172-K175 PolarHBondContact O-N 3.05Å; F173-K175 PolarHBondContact O-N 3.45Å |
| 176 | I | 93.9 | Very high | 94.2 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 22% | 0.221 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.9 | -31.3 | 179.5 | -58.4 | 170.1 | 0 | 0 | 0 | 111 | V158 A162 A165 L172 F173 I178 V179 E180 | V158-I176 HydrophobicContact CG1-CG2 4.13Å; A162-I176 HydrophobicContact CB-CB 4.23Å; A162-I176 HydrophobicContact CB-CG2 3.64Å; A165-I176 HydrophobicContact CB-CD1 3.61Å; L172-I176 HydrophobicContact CB-CD1 4.32Å; L172-I176 PolarHBondContact O-N 3.04Å; L172-I176 VanDerWaalsContact O-N 3.15Å; F173-I176 PolarHBondContact O-N 2.96Å; F173-I176 VanDerWaalsContact O-N 3.11Å; I176-I178 PolarHBondContact O-N 3.4Å; I176-I178 VanDerWaalsContact O-N 3.11Å; I176-V179 WeakPolarHBondContact O-CB 3.48Å; I176-V179 PolarHBondContact O-N 3.04Å; I176-E180 PolarHBondContact O-N 3.5Å |
| 177 | L | 93.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 60.5 Ų | 60.5 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.5 | -32.5 | 177.4 | -170.3 | 68.7 | 0 | 0 | 0 | 112.9 | V92 F96 F173 V179 E180 I181 | V92-L177 HydrophobicContact CG1-CD1 4.02Å; F96-L177 HydrophobicContact CE2-CD1 3.82Å; F173-L177 HydrophobicContact CE1-CD1 4.39Å; F173-L177 HydrophobicContact CE1-CD2 4.4Å; F173-L177 HydrophobicContact CZ-CD1 4.08Å; F173-L177 WeakPolarHBondContact O-CB 3.35Å; F173-L177 PolarHBondContact O-N 3.02Å; L177-V179 PolarHBondContact O-N 3.27Å; L177-E180 WeakPolarHBondContact O-CB 3.47Å; L177-E180 PolarHBondContact O-N 3.1Å; L177-E180 VanDerWaalsContact O-N 3.13Å; L177-I181 WeakPolarHBondContact O-CG1 3.38Å; L177-I181 PolarHBondContact O-N 3.48Å; L177-I181 VanDerWaalsContact O-N 3.07Å |
| 178 | I | 95.4 | Very high | 94.2 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 176.5 | -61.2 | 172.2 | 0 | 0 | 0 | 111 | I176 I181 F182 | I176-I178 PolarHBondContact O-N 3.4Å; I176-I178 VanDerWaalsContact O-N 3.11Å; I178-I181 PolarHBondContact O-N 2.99Å; I178-F182 HydrophobicContact CG2-CD2 3.99Å; I178-F182 HydrophobicContact CG2-CE2 3.6Å; I178-F182 WeakPolarHBondContact O-CD2 3.46Å; I178-F182 PolarHBondContact O-N 3.23Å |
| 179 | V | 95.9 | Very high | 94.3 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 47% | 0.473 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | V158 I176 L177 I181 F182 G183 | V158-V179 HydrophobicContact CG1-CB 4.01Å; V158-V179 HydrophobicContact CG1-CG1 3.94Å; V158-V179 HydrophobicContact CG2-CG1 4.15Å; I176-V179 WeakPolarHBondContact O-CB 3.48Å; I176-V179 PolarHBondContact O-N 3.04Å; L177-V179 PolarHBondContact O-N 3.27Å; V179-I181 VanDerWaalsContact C-N 3.31Å; V179-I181 PolarHBondContact O-N 3.16Å; V179-F182 PolarHBondContact O-N 3.46Å; V179-G183 PolarHBondContact O-N 3.26Å |
| 180 | E | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.4 | -66.3 | -178.8 | -157.8 | 0 | 0 | 111.7 | S93 F96 V158 G159 A162 I176 L177 G183 S184 | S93-E180 WeakPolarHBondContact CA-OE2 3.26Å; S93-E180 WeakPolarHBondContact CB-OE2 3.48Å; S93-E180 VanDerWaalsContact OG-CD 3.24Å; S93-E180 PolarHBondContact OG-OE1 3.38Å; S93-E180 PolarHBondContact OG-OE2 3.16Å; F96-E180 HydrophobicContact CD2-CB 4.21Å; F96-E180 HydrophobicContact CE2-CB 4.37Å; V158-E180 HydrophobicContact CB-CG 4.17Å; V158-E180 HydrophobicContact CG1-CG 3.6Å; G159-E180 WeakPolarHBondContact CA-OE1 3.5Å; A162-E180 WeakPolarHBondContact CB-OE1 3.28Å; I176-E180 PolarHBondContact O-N 3.5Å; L177-E180 WeakPolarHBondContact O-CB 3.47Å; L177-E180 PolarHBondContact O-N 3.1Å; L177-E180 VanDerWaalsContact O-N 3.13Å; E180-G183 PolarHBondContact O-N 3.3Å; E180-S184 WeakPolarHBondContact O-CB 3.38Å; E180-S184 PolarHBondContact O-N 2.86Å |
| 181 | I | 95.8 | Very high | 94.7 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 176 | -65 | 168.4 | 0 | 0 | 0 | 110.6 | F96 L177 I178 V179 G183 S184 A185 | F96-I181 HydrophobicContact CZ-CG1 4.19Å; L177-I181 WeakPolarHBondContact O-CG1 3.38Å; L177-I181 PolarHBondContact O-N 3.48Å; L177-I181 VanDerWaalsContact O-N 3.07Å; I178-I181 PolarHBondContact O-N 2.99Å; V179-I181 VanDerWaalsContact C-N 3.31Å; V179-I181 PolarHBondContact O-N 3.16Å; I181-G183 VanDerWaalsContact C-N 3.32Å; I181-G183 PolarHBondContact O-N 3.34Å; I181-S184 PolarHBondContact O-N 2.95Å; I181-S184 PolarHBondContact O-OG 3.21Å; I181-A185 PolarHBondContact O-N 3.46Å; I181-A185 VanDerWaalsContact O-N 3.14Å |
| 182 | F | 95.9 | Very high | 94.9 | Very high | 148 Ų | 148 | 59.4 Ų | 59.4 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.2 | -37.5 | 175.9 | -73.7 | -59.6 | 0 | 0 | 0 | 112.8 | I178 V179 A185 | I178-F182 HydrophobicContact CG2-CD2 3.99Å; I178-F182 HydrophobicContact CG2-CE2 3.6Å; I178-F182 WeakPolarHBondContact O-CD2 3.46Å; I178-F182 PolarHBondContact O-N 3.23Å; V179-F182 PolarHBondContact O-N 3.46Å; F182-A185 WeakPolarHBondContact O-CB 3.27Å; F182-A185 PolarHBondContact O-N 2.99Å |
| 183 | G | 94.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C151 V179 E180 I181 A185 I186 | C151-G183 PolarHBondContact SG-O 2.82Å; V179-G183 PolarHBondContact O-N 3.26Å; E180-G183 PolarHBondContact O-N 3.3Å; I181-G183 VanDerWaalsContact C-N 3.32Å; I181-G183 PolarHBondContact O-N 3.34Å; G183-A185 VanDerWaalsContact C-N 3.25Å; G183-A185 PolarHBondContact O-N 3.05Å; G183-I186 WeakPolarHBondContact O-CB 3.5Å; G183-I186 WeakPolarHBondContact O-CG1 3.32Å; G183-I186 PolarHBondContact O-N 2.98Å |
| 184 | S | 94.1 | Very high | 95.4 | Very high | 16 Ų | 16 | 59 Ų | 59 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -26.1 | -179.7 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | E180 I181 I186 G187 | E180-S184 WeakPolarHBondContact O-CB 3.38Å; E180-S184 PolarHBondContact O-N 2.86Å; I181-S184 PolarHBondContact O-N 2.95Å; I181-S184 PolarHBondContact O-OG 3.21Å; S184-I186 PolarHBondContact O-N 3.48Å; S184-G187 PolarHBondContact O-N 3.35Å |
| 185 | A | 95.4 | Very high | 95.5 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -24.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I181 F182 G183 G187 L188 F189 | I181-A185 PolarHBondContact O-N 3.46Å; I181-A185 VanDerWaalsContact O-N 3.14Å; F182-A185 WeakPolarHBondContact O-CB 3.27Å; F182-A185 PolarHBondContact O-N 2.99Å; G183-A185 VanDerWaalsContact C-N 3.25Å; G183-A185 PolarHBondContact O-N 3.05Å; A185-G187 VanDerWaalsContact C-N 3.32Å; A185-G187 PolarHBondContact O-N 3.45Å; A185-L188 PolarHBondContact O-N 3.41Å; A185-F189 WeakPolarHBondContact O-CG 3.47Å; A185-F189 PolarHBondContact O-N 3.49Å |
| 186 | I | 95.6 | Very high | 95.7 | Very high | 71 Ų | 71 | 56.8 Ų | 56.8 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 176.7 | -57.4 | 171.7 | 0 | 0 | 0 | 110.5 | S147 C151 G183 S184 L188 F189 G190 | S147-I186 PolarHBondContact OG-O 2.92Å; C151-I186 HydrophobicContact CB-CB 4.23Å; C151-I186 HydrophobicContact CB-CG2 4.4Å; G183-I186 WeakPolarHBondContact O-CB 3.5Å; G183-I186 WeakPolarHBondContact O-CG1 3.32Å; G183-I186 PolarHBondContact O-N 2.98Å; S184-I186 PolarHBondContact O-N 3.48Å; I186-L188 VanDerWaalsContact C-N 3.35Å; I186-L188 PolarHBondContact O-N 2.74Å; I186-F189 PolarHBondContact O-N 2.95Å; I186-G190 PolarHBondContact O-N 3.22Å |
| 187 | G | 94.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N148 C151 S184 A185 F189 G190 V191 | N148-G187 WeakPolarHBondContact OD1-CA 3.41Å; C151-G187 PolarHBondContact SG-N 3.47Å; C151-G187 VanDerWaalsContact SG-N 3.44Å; S184-G187 PolarHBondContact O-N 3.35Å; A185-G187 VanDerWaalsContact C-N 3.32Å; A185-G187 PolarHBondContact O-N 3.45Å; G187-F189 VanDerWaalsContact C-N 3.35Å; G187-F189 PolarHBondContact O-N 3.04Å; G187-G190 PolarHBondContact O-N 3.29Å; G187-V191 PolarHBondContact O-N 3.03Å; G187-V191 VanDerWaalsContact O-N 3.13Å |
| 188 | L | 95.4 | Very high | 95.7 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 177.2 | -70.7 | 172.8 | 0 | 0 | 0 | 112.6 | Y103 A185 I186 G190 V191 I192 | Y103-L188 HydrophobicContact CE1-CD2 3.89Å; Y103-L188 HydrophobicContact CE2-CD2 4Å; Y103-L188 HydrophobicContact CE2-CG 4.13Å; A185-L188 PolarHBondContact O-N 3.41Å; I186-L188 VanDerWaalsContact C-N 3.35Å; I186-L188 PolarHBondContact O-N 2.74Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-G190 PolarHBondContact O-N 3.47Å; L188-V191 PolarHBondContact O-N 3.34Å; L188-I192 WeakPolarHBondContact O-CG1 3.44Å; L188-I192 PolarHBondContact O-N 2.92Å |
| 189 | F | 97 | Very high | 95.6 | Very high | 135 Ų | 135 | 55.6 Ų | 55.6 | 59% | 0.592 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 174.7 | -65.5 | -21.7 | 0 | 0 | 0 | 112.1 | A185 I186 G187 V191 I192 V193 | A185-F189 WeakPolarHBondContact O-CG 3.47Å; A185-F189 PolarHBondContact O-N 3.49Å; I186-F189 PolarHBondContact O-N 2.95Å; G187-F189 VanDerWaalsContact C-N 3.35Å; G187-F189 PolarHBondContact O-N 3.04Å; F189-V191 VanDerWaalsContact C-N 3.33Å; F189-V191 PolarHBondContact O-N 3.28Å; F189-I192 HydrophobicContact CD1-CD1 4.44Å; F189-I192 PolarHBondContact O-N 2.98Å; F189-V193 WeakPolarHBondContact O-CG2 3.3Å; F189-V193 PolarHBondContact O-N 2.95Å |
| 190 | G | 96.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I186 G187 L188 V193 A194 | I186-G190 PolarHBondContact O-N 3.22Å; G187-G190 PolarHBondContact O-N 3.29Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-G190 PolarHBondContact O-N 3.47Å; G190-V193 PolarHBondContact O-N 3.4Å; G190-A194 WeakPolarHBondContact O-CB 3.4Å; G190-A194 PolarHBondContact O-N 3.33Å |
| 191 | V | 96.9 | Very high | 95 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | Y103 M107 V144 G187 L188 F189 V193 A194 I195 | Y103-V191 HydrophobicContact CG-CG2 4.22Å; M107-V191 HydrophobicContact CG-CG1 4.09Å; M107-V191 HydrophobicContact CG-CG2 4.14Å; M107-V191 HydrophobicContact SD-CG1 3.86Å; V144-V191 HydrophobicContact CG2-CG2 4.13Å; G187-V191 PolarHBondContact O-N 3.03Å; G187-V191 VanDerWaalsContact O-N 3.13Å; L188-V191 PolarHBondContact O-N 3.34Å; F189-V191 VanDerWaalsContact C-N 3.33Å; F189-V191 PolarHBondContact O-N 3.28Å; V191-V193 VanDerWaalsContact C-N 3.33Å; V191-V193 PolarHBondContact O-N 2.92Å; V191-A194 PolarHBondContact O-N 2.78Å; V191-I195 HydrophobicContact CG1-CD1 3.85Å; V191-I195 HydrophobicContact CG1-CG1 4.48Å; V191-I195 WeakPolarHBondContact O-CG1 3.47Å; V191-I195 PolarHBondContact O-N 3.48Å |
| 192 | I | 97.3 | Very high | 94.5 | Very high | 95 Ų | 95 | 64.1 Ų | 64.1 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 179.6 | -68.1 | 165.4 | 0 | 0 | 0 | 110.5 | L188 F189 I195 L196 | L188-I192 WeakPolarHBondContact O-CG1 3.44Å; L188-I192 PolarHBondContact O-N 2.92Å; F189-I192 HydrophobicContact CD1-CD1 4.44Å; F189-I192 PolarHBondContact O-N 2.98Å; I192-I195 PolarHBondContact O-N 3.16Å; I192-L196 HydrophobicContact CG2-CD1 4.17Å; I192-L196 WeakPolarHBondContact O-CG 3.29Å; I192-L196 PolarHBondContact O-N 3.16Å |
| 193 | V | 97.7 | Very high | 94.1 | Very high | 63 Ų | 63 | 57.1 Ų | 57.1 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 179.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | T143 F189 G190 V191 I195 L196 Q197 | T143-V193 HydrophobicContact CG2-CB 4.19Å; T143-V193 HydrophobicContact CG2-CG1 3.93Å; F189-V193 WeakPolarHBondContact O-CG2 3.3Å; F189-V193 PolarHBondContact O-N 2.95Å; G190-V193 PolarHBondContact O-N 3.4Å; V191-V193 VanDerWaalsContact C-N 3.33Å; V191-V193 PolarHBondContact O-N 2.92Å; V193-I195 PolarHBondContact O-N 3.49Å; V193-L196 PolarHBondContact O-N 3.45Å; V193-Q197 HydrophobicContact CG1-CG 4.4Å; V193-Q197 WeakPolarHBondContact O-CG 3.45Å; V193-Q197 PolarHBondContact O-N 3.27Å |
| 194 | A | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M107 A140 V144 G190 V191 L196 Q197 T198 | M107-A194 HydrophobicContact CE-CB 3.82Å; A140-A194 HydrophobicContact CB-CB 4.13Å; V144-A194 HydrophobicContact CB-CB 4.21Å; G190-A194 WeakPolarHBondContact O-CB 3.4Å; G190-A194 PolarHBondContact O-N 3.33Å; V191-A194 PolarHBondContact O-N 2.78Å; A194-L196 PolarHBondContact O-N 3.08Å; A194-Q197 PolarHBondContact O-N 3.12Å; A194-T198 PolarHBondContact O-N 3.21Å; A194-T198 VanDerWaalsContact O-N 3.16Å; A194-T198 PolarHBondContact O-OG1 3.38Å |
| 195 | I | 96.1 | Very high | 92.8 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 175 | -67.2 | 169.5 | 0 | 0 | 0 | 111.1 | M107 V191 I192 V193 Q197 T198 S199 | M107-I195 HydrophobicContact CE-CG1 3.77Å; M107-I195 HydrophobicContact SD-CD1 4.08Å; M107-I195 HydrophobicContact SD-CG1 3.69Å; V191-I195 HydrophobicContact CG1-CD1 3.85Å; V191-I195 HydrophobicContact CG1-CG1 4.48Å; V191-I195 WeakPolarHBondContact O-CG1 3.47Å; V191-I195 PolarHBondContact O-N 3.48Å; I192-I195 PolarHBondContact O-N 3.16Å; V193-I195 PolarHBondContact O-N 3.49Å; I195-Q197 VanDerWaalsContact C-N 3.34Å; I195-Q197 PolarHBondContact O-N 3.2Å; I195-T198 PolarHBondContact O-N 2.95Å; I195-T198 PolarHBondContact O-OG1 3.08Å; I195-S199 WeakPolarHBondContact O-CA 3.48Å; I195-S199 WeakPolarHBondContact O-CB 3.31Å; I195-S199 PolarHBondContact O-N 3.27Å |
| 196 | L | 96.4 | Very high | 92.7 | Very high | 115 Ų | 115 | 63.9 Ų | 63.9 | 60% | 0.602 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 178.4 | -74.1 | 174.4 | 0 | 0 | 0 | 111.9 | I192 V193 A194 T198 S199 | I192-L196 HydrophobicContact CG2-CD1 4.17Å; I192-L196 WeakPolarHBondContact O-CG 3.29Å; I192-L196 PolarHBondContact O-N 3.16Å; V193-L196 PolarHBondContact O-N 3.45Å; A194-L196 PolarHBondContact O-N 3.08Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 2.97Å; L196-S199 PolarHBondContact O-N 2.67Å; L196-S199 PolarHBondContact O-OG 3.14Å |
| 197 | Q | 94.6 | Very high | 92.5 | Very high | 71 Ų | 71 | 63.5 Ų | 63.5 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 176.4 | -72.8 | 174.6 | 4.2 | 0 | 0 | 111.2 | S136 G139 A140 T143 V193 A194 I195 | S136-Q197 PolarHBondContact OG-O 2.88Å; G139-Q197 VanDerWaalsContact C-OE1 3.26Å; G139-Q197 PolarHBondContact O-OE1 3.32Å; A140-Q197 HydrophobicContact CB-CB 4.38Å; T143-Q197 PolarHBondContact OG1-NE2 2.78Å; V193-Q197 HydrophobicContact CG1-CG 4.4Å; V193-Q197 WeakPolarHBondContact O-CG 3.45Å; V193-Q197 PolarHBondContact O-N 3.27Å; A194-Q197 PolarHBondContact O-N 3.12Å; I195-Q197 VanDerWaalsContact C-N 3.34Å; I195-Q197 PolarHBondContact O-N 3.2Å |
| 198 | T | 94.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -90.5 | -2.9 | -176.8 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | I111 M114 A140 A194 I195 L196 K200 V201 | I111-T198 HydrophobicContact CG1-CG2 4.48Å; M114-T198 HydrophobicContact SD-CG2 4.44Å; A140-T198 HydrophobicContact CB-CG2 3.5Å; A140-T198 VanDerWaalsContact CB-CG2 3.5Å; A194-T198 PolarHBondContact O-N 3.21Å; A194-T198 VanDerWaalsContact O-N 3.16Å; A194-T198 PolarHBondContact O-OG1 3.38Å; I195-T198 PolarHBondContact O-N 2.95Å; I195-T198 PolarHBondContact O-OG1 3.08Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 2.97Å; T198-K200 VanDerWaalsContact C-N 3.26Å; T198-K200 PolarHBondContact O-N 2.91Å; T198-K200 VanDerWaalsContact O-N 3.16Å; T198-V201 PolarHBondContact O-N 3.05Å; T198-V201 VanDerWaalsContact O-N 3.16Å |
| 199 | S | 92.3 | Very high | 92.2 | Very high | 75 Ų | 75 | 66.6 Ų | 66.6 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29 | -173 | 62.7 | 0 | 0 | 0 | 0 | 115.4 | I195 L196 | I195-S199 WeakPolarHBondContact O-CA 3.48Å; I195-S199 WeakPolarHBondContact O-CB 3.31Å; I195-S199 PolarHBondContact O-N 3.27Å; L196-S199 PolarHBondContact O-N 2.67Å; L196-S199 PolarHBondContact O-OG 3.14Å |
| 200 | K | 88.8 | Confident | 91.9 | Very high | 199 Ų | 199 | 62.4 Ų | 62.4 | 87% | 0.865 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 17.3 | -178.7 | -62.8 | -177.8 | -177.6 | 179.1 | 0 | 112.6 | T198 | T198-K200 VanDerWaalsContact C-N 3.26Å; T198-K200 PolarHBondContact O-N 2.91Å; T198-K200 VanDerWaalsContact O-N 3.16Å |
| 201 | V | 90.5 | Very high | 91.6 | Very high | 23 Ų | 23 | 66.3 Ų | 66.3 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | trans | -98.6 | 130.7 | -175 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | A133 S136 M137 T198 | A133-V201 VanDerWaalsContact CA-CG1 3.43Å; A133-V201 HydrophobicContact CB-CG1 3.47Å; A133-V201 VanDerWaalsContact CB-CG1 3.47Å; S136-V201 WeakPolarHBondContact OG-CG2 3.27Å; M137-V201 HydrophobicContact CE-CG1 4.15Å; T198-V201 PolarHBondContact O-N 3.05Å; T198-V201 VanDerWaalsContact O-N 3.16Å | ||
| 202 | K | 84.3 | Confident | 91.3 | Very high | 120 Ų | 120 | 69.5 Ų | 69.5 | 52% | 0.522 | 36% | 0.355 | S | S | . | . | trans | -135.1 | 120.1 | 169.1 | -168.8 | -178.5 | -179.8 | -166.5 | 0 | 108.7 | ||||
| 203 | M | 87.4 | Confident | 90.8 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -97.4 | 145.1 | 171.1 | -165.5 | 171.8 | -175.9 | 0 | 0 | 108.1 | P46 F47 A50 M114 A115 E116 F118 A133 M137 | P46-M203 HydrophobicContact CB-CE 4.06Å; F47-M203 HydrophobicContact CD1-CE 3.41Å; F47-M203 VanDerWaalsContact CD1-CE 3.41Å; F47-M203 HydrophobicContact CE1-CE 3.43Å; F47-M203 VanDerWaalsContact CE1-CE 3.43Å; F47-M203 HydrophobicContact CG-CE 4.05Å; F47-M203 HydrophobicContact CZ-CE 4.08Å; A50-M203 HydrophobicContact CB-SD 4.33Å; M114-M203 WeakPolarHBondContact O-CB 3.36Å; A115-M203 HydrophobicContact CB-SD 4.31Å; E116-M203 VanDerWaalsContact CB-O 3.29Å; E116-M203 WeakPolarHBondContact CB-O 3.11Å; E116-M203 WeakPolarHBondContact CG-O 3.45Å; F118-M203 HydrophobicContact CD1-CE 4.23Å; F118-M203 HydrophobicContact CD1-CG 4.41Å; F118-M203 HydrophobicContact CE1-CE 3.57Å; F118-M203 HydrophobicContact CE1-CG 4.5Å; A133-M203 HydrophobicContact CB-CB 3.86Å; A133-M203 HydrophobicContact CB-CG 4.23Å; M137-M203 HydrophobicContact CE-CB 3.76Å; M137-M203 HydrophobicContact CE-SD 4.04Å; M137-M203 HydrophobicContact SD-SD 4.06Å | ||
| 204 | G | 86.1 | Confident | 90.2 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | trans | 131.2 | -176.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R129 N130 | R129-G204 PolarHBondContact NH2-O 2.69Å; N130-G204 PolarHBondContact ND2-O 3.16Å; N130-G204 PolarHBondContact OD1-N 3.01Å; N130-G204 VanDerWaalsContact OD1-N 3.08Å; N130-G204 PolarHBondContact OD1-O 3.33Å; N130-G204 VanDerWaalsContact OD1-O 3.05Å | ||
| 205 | D | 75.3 | Confident | 89.6 | Confident | 127 Ų | 127 | 74.1 Ų | 74.1 | 68% | 0.679 | 37% | 0.373 | S | S | * | . | trans | -85.8 | 0 | 173.8 | -70.6 | -34.4 | 0 | 0 | 0 | 112 | F118 S119 R129 | F118-D205 VanDerWaalsContact CB-OD1 3.31Å; F118-D205 WeakPolarHBondContact CB-OD1 3.31Å; S119-D205 PolarHBondContact N-OD2 3.42Å; S119-D205 PolarHBondContact OG-OD2 3.47Å; R129-D205 PolarHBondContact NH2-OXT 3.4Å |
Retrieved 205 of 205 residues in 137.9 ms
(Link to these results)