| 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 | 55.6 | Low | 67.3 | Low | 183 Ų | 183 | 95.1 Ų | 95.1 | 90% | 0.901 | 48% | 0.477 | S | S | * | . | 0 | -55.7 | 0 | -147.8 | -175 | -49.3 | 0 | 0 | 112.7 | V3 Q4 N5 | M1-V3 PolarHBondContact O-N 2.98Å; M1-Q4 PolarHBondContact O-N 3.22Å; M1-N5 PolarHBondContact O-N 3.43Å; M1-N5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | I | 66.9 | Low | 68.4 | Low | 149 Ų | 149 | 92 Ų | 92 | 76% | 0.764 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58 | -45.6 | -178.5 | -61.5 | 171.4 | 0 | 0 | 0 | 112.7 | Q4 N5 Y6 | I2-Q4 VanDerWaalsContact C-N 3.35Å; I2-Q4 PolarHBondContact O-N 2.96Å; I2-N5 PolarHBondContact O-N 2.89Å; I2-Y6 PolarHBondContact O-N 3.49Å |
| 3 | V | 58.5 | Low | 69.5 | Low | 116 Ų | 116 | 91.3 Ų | 91.3 | 70% | 0.703 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 179 | 179.9 | 0 | 0 | 0 | 0 | 112 | M1 Y6 L7 | M1-V3 PolarHBondContact O-N 2.98Å; V3-Y6 PolarHBondContact O-N 3.22Å; V3-L7 WeakPolarHBondContact O-CB 3.22Å; V3-L7 PolarHBondContact O-N 3.37Å |
| 4 | Q | 60 | Low | 70.6 | Confident | 55 Ų | 55 | 90.6 Ų | 90.6 | 26% | 0.257 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 177.7 | -176.5 | -179 | -20.9 | 0 | 0 | 111.1 | M1 I2 Y6 L7 Q8 C257 | M1-Q4 PolarHBondContact O-N 3.22Å; I2-Q4 VanDerWaalsContact C-N 3.35Å; I2-Q4 PolarHBondContact O-N 2.96Å; Q4-Y6 VanDerWaalsContact C-N 3.34Å; Q4-Y6 PolarHBondContact O-N 3.07Å; Q4-L7 PolarHBondContact O-N 3.46Å; Q4-Q8 VanDerWaalsContact O-CB 3.27Å; Q4-Q8 WeakPolarHBondContact O-CB 3.31Å; Q4-Q8 PolarHBondContact O-N 3.3Å; Q4-C257 HydrophobicContact CG-CB 4.48Å |
| 5 | N | 70.3 | Confident | 71.6 | Confident | 87 Ų | 87 | 86.1 Ų | 86.1 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.5 | -74.2 | 1.3 | 0 | 0 | 0 | 111.5 | M1 I2 N9 | M1-N5 PolarHBondContact O-N 3.43Å; M1-N5 VanDerWaalsContact O-N 3.09Å; I2-N5 PolarHBondContact O-N 2.89Å; N5-N9 VanDerWaalsContact O-CB 3.31Å; N5-N9 WeakPolarHBondContact O-CB 3.43Å; N5-N9 PolarHBondContact O-N 3.1Å; N5-N9 PolarHBondContact O-ND2 3.31Å; N5-N9 PolarHBondContact O-OD1 2.75Å |
| 6 | Y | 64 | Low | 72.6 | Confident | 159 Ų | 159 | 85.9 Ų | 85.9 | 62% | 0.624 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64 | -48.1 | 177.4 | -176.8 | -97.8 | 0 | 0 | 0 | 112.1 | I2 V3 Q4 Q8 N9 V10 | I2-Y6 PolarHBondContact O-N 3.49Å; V3-Y6 PolarHBondContact O-N 3.22Å; Q4-Y6 VanDerWaalsContact C-N 3.34Å; Q4-Y6 PolarHBondContact O-N 3.07Å; Y6-Q8 PolarHBondContact O-N 3.02Å; Y6-N9 PolarHBondContact O-N 3.39Å; Y6-V10 HydrophobicContact CD1-CG2 4.18Å; Y6-V10 HydrophobicContact CE1-CG2 3.76Å; Y6-V10 HydrophobicContact CE2-CG2 4.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.1Å; Y6-V10 PolarHBondContact O-N 3.08Å |
| 7 | L | 63.6 | Low | 73.5 | Confident | 76 Ų | 76 | 85.5 Ų | 85.5 | 40% | 0.398 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | -179.5 | -173.6 | 62 | 0 | 0 | 0 | 111.7 | V3 Q4 N9 V10 L11 V253 | V3-L7 WeakPolarHBondContact O-CB 3.22Å; V3-L7 PolarHBondContact O-N 3.37Å; Q4-L7 PolarHBondContact O-N 3.46Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 3.28Å; L7-V10 PolarHBondContact O-N 3.01Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 PolarHBondContact O-N 2.71Å; L7-V253 HydrophobicContact CD2-CB 4.48Å; L7-V253 HydrophobicContact CD2-CG1 3.73Å; L7-V253 HydrophobicContact CD2-CG2 3.85Å; L7-V253 HydrophobicContact CG-CG1 4.44Å |
| 8 | Q | 72.5 | Confident | 74.4 | Confident | 80 Ų | 80 | 82 Ų | 82 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.4 | -174.6 | 173.1 | -20.2 | 0 | 0 | 111.5 | Q4 Y6 L11 T12 | Q4-Q8 VanDerWaalsContact O-CB 3.27Å; Q4-Q8 WeakPolarHBondContact O-CB 3.31Å; Q4-Q8 PolarHBondContact O-N 3.3Å; Y6-Q8 PolarHBondContact O-N 3.02Å; Q8-L11 PolarHBondContact O-N 3.49Å; Q8-T12 VanDerWaalsContact O-CB 3.29Å; Q8-T12 WeakPolarHBondContact O-CB 3.37Å; Q8-T12 PolarHBondContact O-N 3.32Å; Q8-T12 PolarHBondContact O-OG1 2.81Å |
| 9 | N | 76.6 | Confident | 75.2 | Confident | 106 Ų | 106 | 84.5 Ų | 84.5 | 57% | 0.567 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.3 | -47 | 176 | -72.4 | -12.4 | 0 | 0 | 0 | 112.1 | N5 Y6 L7 L11 T12 Q13 | N5-N9 VanDerWaalsContact O-CB 3.31Å; N5-N9 WeakPolarHBondContact O-CB 3.43Å; N5-N9 PolarHBondContact O-N 3.1Å; N5-N9 PolarHBondContact O-ND2 3.31Å; N5-N9 PolarHBondContact O-OD1 2.75Å; Y6-N9 PolarHBondContact O-N 3.39Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 3.28Å; N9-L11 VanDerWaalsContact C-N 3.29Å; N9-L11 PolarHBondContact O-N 2.95Å; N9-T12 PolarHBondContact O-N 3.12Å; N9-Q13 WeakPolarHBondContact O-CB 3.16Å; N9-Q13 PolarHBondContact O-N 3.12Å |
| 10 | V | 74.9 | Confident | 76 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 111 | Y6 L7 Q13 K14 Y129 | Y6-V10 HydrophobicContact CD1-CG2 4.18Å; Y6-V10 HydrophobicContact CE1-CG2 3.76Å; Y6-V10 HydrophobicContact CE2-CG2 4.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.1Å; Y6-V10 PolarHBondContact O-N 3.08Å; L7-V10 PolarHBondContact O-N 3.01Å; V10-Q13 WeakPolarHBondContact O-CB 3.41Å; V10-Q13 PolarHBondContact O-N 2.77Å; V10-K14 WeakPolarHBondContact O-CG 3.34Å; V10-K14 PolarHBondContact O-N 3.35Å; V10-Y129 WeakPolarHBondContact CG1-OH 3.49Å |
| 11 | L | 77.8 | Confident | 76.7 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.3 | -38.1 | -179.3 | -166.8 | 55.6 | 0 | 0 | 0 | 112.4 | L7 Q8 N9 Q13 K14 A15 T246 N250 | L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 PolarHBondContact O-N 2.71Å; Q8-L11 PolarHBondContact O-N 3.49Å; N9-L11 VanDerWaalsContact C-N 3.29Å; N9-L11 PolarHBondContact O-N 2.95Å; L11-Q13 VanDerWaalsContact C-N 3.32Å; L11-K14 PolarHBondContact O-N 3.41Å; L11-A15 PolarHBondContact O-N 2.98Å; L11-T246 HydrophobicContact CD1-CG2 3.42Å; L11-T246 VanDerWaalsContact CD1-CG2 3.42Å; L11-T246 HydrophobicContact CG-CG2 4.08Å; L11-N250 HydrophobicContact CD2-CB 3.26Å; L11-N250 VanDerWaalsContact CD2-N 3.33Å; L11-N250 HydrophobicContact CG-CB 3.98Å |
| 12 | T | 80.5 | Confident | 78.4 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 172.7 | -54.8 | 0 | 0 | 0 | 0 | 110.3 | Q8 N9 K14 A15 L16 | Q8-T12 VanDerWaalsContact O-CB 3.29Å; Q8-T12 WeakPolarHBondContact O-CB 3.37Å; Q8-T12 PolarHBondContact O-N 3.32Å; Q8-T12 PolarHBondContact O-OG1 2.81Å; N9-T12 PolarHBondContact O-N 3.12Å; T12-K14 PolarHBondContact O-N 2.95Å; T12-A15 PolarHBondContact O-N 2.92Å; T12-L16 HydrophobicContact CG2-CD1 4.28Å; T12-L16 WeakPolarHBondContact O-CB 3.5Å; T12-L16 VanDerWaalsContact O-CG 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.46Å; T12-L16 PolarHBondContact O-N 3.08Å |
| 13 | Q | 83 | Confident | 79.6 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.9 | -170.6 | -178.2 | -11.7 | 0 | 0 | 111.6 | N9 V10 L11 L16 F17 W50 | N9-Q13 WeakPolarHBondContact O-CB 3.16Å; N9-Q13 PolarHBondContact O-N 3.12Å; V10-Q13 WeakPolarHBondContact O-CB 3.41Å; V10-Q13 PolarHBondContact O-N 2.77Å; L11-Q13 VanDerWaalsContact C-N 3.32Å; Q13-L16 PolarHBondContact O-N 3.29Å; Q13-F17 WeakPolarHBondContact O-CB 3.42Å; Q13-F17 PolarHBondContact O-N 3.16Å; Q13-W50 HydrophobicContact CB-CH2 4.43Å; Q13-W50 HydrophobicContact CG-CH2 3.43Å; Q13-W50 VanDerWaalsContact CG-CH2 3.43Å; Q13-W50 HydrophobicContact CG-CZ2 3.94Å; Q13-W50 WeakPolarHBondContact O-CH2 3.36Å |
| 14 | K | 84.4 | Confident | 81.2 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.3 | -70.5 | 176.6 | -172.4 | 172 | 0 | 112.2 | V10 L11 T12 L16 F17 L18 Y129 T246 | V10-K14 WeakPolarHBondContact O-CG 3.34Å; V10-K14 PolarHBondContact O-N 3.35Å; L11-K14 PolarHBondContact O-N 3.41Å; T12-K14 PolarHBondContact O-N 2.95Å; K14-L16 PolarHBondContact O-N 3.27Å; K14-F17 PolarHBondContact O-N 2.9Å; K14-L18 WeakPolarHBondContact O-CB 3.25Å; K14-L18 WeakPolarHBondContact O-CG 3.36Å; K14-L18 PolarHBondContact O-N 3.35Å; K14-Y129 VanDerWaalsContact CE-CE1 3.47Å; K14-Y129 VanDerWaalsContact NZ-CE1 3.29Å; K14-Y129 PolarHBondContact NZ-OH 3.45Å; K14-T246 HydrophobicContact CB-CG2 4.34Å |
| 15 | A | 85.7 | Confident | 82.8 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L11 T12 L18 F19 T246 | L11-A15 PolarHBondContact O-N 2.98Å; T12-A15 PolarHBondContact O-N 2.92Å; A15-L18 PolarHBondContact O-N 3.31Å; A15-F19 WeakPolarHBondContact O-CB 3.23Å; A15-F19 PolarHBondContact O-N 3.07Å; A15-T246 HydrophobicContact CB-CG2 3.96Å |
| 16 | L | 87.1 | Confident | 83.9 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 175.9 | -71.6 | 174.3 | 0 | 0 | 0 | 112.1 | T12 Q13 K14 F19 A20 W50 L53 | T12-L16 HydrophobicContact CG2-CD1 4.28Å; T12-L16 WeakPolarHBondContact O-CB 3.5Å; T12-L16 VanDerWaalsContact O-CG 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.46Å; T12-L16 PolarHBondContact O-N 3.08Å; Q13-L16 PolarHBondContact O-N 3.29Å; K14-L16 PolarHBondContact O-N 3.27Å; L16-F19 PolarHBondContact O-N 3.07Å; L16-A20 WeakPolarHBondContact O-CB 3.07Å; L16-A20 PolarHBondContact O-N 3.01Å; L16-W50 HydrophobicContact CB-CE3 4.39Å; L16-W50 HydrophobicContact CB-CH2 4.35Å; L16-W50 HydrophobicContact CB-CZ3 3.6Å; L16-L53 HydrophobicContact CD1-CD2 4.42Å |
| 17 | F | 87.9 | Confident | 85.2 | Confident | 80 Ų | 80 | 53 Ų | 53 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 174.7 | 177.2 | -102.8 | 0 | 0 | 0 | 111.9 | Q13 K14 F19 A20 L21 F47 W50 | Q13-F17 WeakPolarHBondContact O-CB 3.42Å; Q13-F17 PolarHBondContact O-N 3.16Å; K14-F17 PolarHBondContact O-N 2.9Å; F17-F19 VanDerWaalsContact C-N 3.32Å; F17-F19 PolarHBondContact O-N 3.45Å; F17-A20 PolarHBondContact O-N 3.38Å; F17-L21 HydrophobicContact CE1-CD1 4.13Å; F17-L21 HydrophobicContact CZ-CD1 4.33Å; F17-L21 WeakPolarHBondContact O-CB 3.13Å; F17-L21 PolarHBondContact O-N 2.94Å; F17-F47 HydrophobicContact CE2-CE1 4.05Å; F17-F47 HydrophobicContact CZ-CE1 4.47Å; F17-W50 HydrophobicContact CB-CH2 3.94Å; F17-W50 HydrophobicContact CB-CZ2 3.83Å; F17-W50 HydrophobicContact CB-CZ3 4.44Å; F17-W50 HydrophobicContact CD2-CD2 4.3Å; F17-W50 AromaticContact CD2-CE2 3.8Å; F17-W50 HydrophobicContact CD2-CG 4.43Å; F17-W50 HydrophobicContact CD2-CZ2 4.17Å; F17-W50 AromaticContact CD2-NE1 3.66Å; F17-W50 HydrophobicContact CG-CZ2 4.42Å |
| 18 | L | 89.9 | Confident | 86.5 | Confident | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 176.4 | -73 | 173.3 | 0 | 0 | 0 | 111.9 | K14 A15 L21 S22 L242 M243 | K14-L18 WeakPolarHBondContact O-CB 3.25Å; K14-L18 WeakPolarHBondContact O-CG 3.36Å; K14-L18 PolarHBondContact O-N 3.35Å; A15-L18 PolarHBondContact O-N 3.31Å; L18-L21 PolarHBondContact O-N 3.32Å; L18-S22 WeakPolarHBondContact O-CB 3.38Å; L18-S22 PolarHBondContact O-N 3.09Å; L18-L242 HydrophobicContact CD1-CB 4.06Å; L18-L242 HydrophobicContact CD2-CB 4.27Å; L18-L242 HydrophobicContact CD2-CD1 4.31Å; L18-M243 HydrophobicContact CB-CG 4.08Å; L18-M243 HydrophobicContact CB-SD 3.31Å; L18-M243 WeakPolarHBondContact CB-SD 3.43Å; L18-M243 HydrophobicContact CD1-CG 4.37Å; L18-M243 HydrophobicContact CD1-SD 3.91Å; L18-M243 HydrophobicContact CG-SD 4.27Å |
| 19 | F | 89.7 | Confident | 87.5 | Confident | 130 Ų | 130 | 48.5 Ų | 48.5 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.3 | -48.4 | 173.3 | -177.5 | -98 | 0 | 0 | 0 | 111.5 | A15 L16 F17 L21 S22 A23 | A15-F19 WeakPolarHBondContact O-CB 3.23Å; A15-F19 PolarHBondContact O-N 3.07Å; L16-F19 PolarHBondContact O-N 3.07Å; F17-F19 VanDerWaalsContact C-N 3.32Å; F17-F19 PolarHBondContact O-N 3.45Å; F19-L21 VanDerWaalsContact C-N 3.3Å; F19-L21 PolarHBondContact O-N 3.31Å; F19-S22 PolarHBondContact O-N 3.22Å; F19-S22 VanDerWaalsContact O-N 3.16Å; F19-S22 PolarHBondContact O-OG 3.49Å; F19-A23 PolarHBondContact O-N 2.91Å |
| 20 | A | 90.8 | Very high | 88.2 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L16 F17 A23 N24 P46 W50 | L16-A20 WeakPolarHBondContact O-CB 3.07Å; L16-A20 PolarHBondContact O-N 3.01Å; F17-A20 PolarHBondContact O-N 3.38Å; A20-A23 PolarHBondContact O-N 2.88Å; A20-N24 PolarHBondContact O-N 3.12Å; A20-N24 PolarHBondContact O-ND2 3.45Å; A20-P46 HydrophobicContact CB-CB 4.39Å; A20-W50 HydrophobicContact CB-CB 4.42Å |
| 21 | L | 91.2 | Very high | 89 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.4 | -176.4 | 147.9 | 0 | 0 | 0 | 111.3 | F17 L18 F19 A23 N24 L25 F47 V239 | F17-L21 HydrophobicContact CE1-CD1 4.13Å; F17-L21 HydrophobicContact CZ-CD1 4.33Å; F17-L21 WeakPolarHBondContact O-CB 3.13Å; F17-L21 PolarHBondContact O-N 2.94Å; L18-L21 PolarHBondContact O-N 3.32Å; F19-L21 VanDerWaalsContact C-N 3.3Å; F19-L21 PolarHBondContact O-N 3.31Å; L21-A23 PolarHBondContact O-N 2.99Å; L21-N24 PolarHBondContact O-N 3.01Å; L21-L25 HydrophobicContact CD2-CD1 3.57Å; L21-L25 HydrophobicContact CD2-CG 4.15Å; L21-L25 WeakPolarHBondContact O-CG 3.4Å; L21-L25 PolarHBondContact O-N 3.44Å; L21-F47 HydrophobicContact CB-CZ 4.39Å; L21-F47 HydrophobicContact CG-CZ 4.46Å; L21-V239 HydrophobicContact CD2-CG1 4.25Å; L21-V239 HydrophobicContact CD2-CG2 3.54Å |
| 22 | S | 91.9 | Very high | 89.5 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -43 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 112.3 | L18 F19 N24 L25 I26 | L18-S22 WeakPolarHBondContact O-CB 3.38Å; L18-S22 PolarHBondContact O-N 3.09Å; F19-S22 PolarHBondContact O-N 3.22Å; F19-S22 VanDerWaalsContact O-N 3.16Å; F19-S22 PolarHBondContact O-OG 3.49Å; S22-N24 PolarHBondContact O-N 3.27Å; S22-L25 PolarHBondContact O-N 3.1Å; S22-I26 WeakPolarHBondContact O-CG1 3.48Å; S22-I26 PolarHBondContact O-N 3.28Å |
| 23 | A | 92.6 | Very high | 89.9 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 21% | 0.207 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F19 A20 L21 L25 I26 L27 P46 | F19-A23 PolarHBondContact O-N 2.91Å; A20-A23 PolarHBondContact O-N 2.88Å; L21-A23 PolarHBondContact O-N 2.99Å; A23-L25 PolarHBondContact O-N 3.05Å; A23-I26 PolarHBondContact O-N 3.35Å; A23-L27 WeakPolarHBondContact O-CG 3.39Å; A23-L27 PolarHBondContact O-N 2.94Å; A23-P46 HydrophobicContact CB-CB 4.02Å; A23-P46 HydrophobicContact CB-CG 3.81Å |
| 24 | N | 92 | Very high | 90.1 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 174.8 | -78.6 | -76.6 | 0 | 0 | 0 | 112.1 | A20 L21 S22 L27 C28 L43 F44 P46 F47 | A20-N24 PolarHBondContact O-N 3.12Å; A20-N24 PolarHBondContact O-ND2 3.45Å; L21-N24 PolarHBondContact O-N 3.01Å; S22-N24 PolarHBondContact O-N 3.27Å; N24-L27 PolarHBondContact O-N 3.02Å; N24-C28 VanDerWaalsContact O-CB 3.26Å; N24-C28 WeakPolarHBondContact O-CB 3.37Å; N24-C28 PolarHBondContact O-N 3.25Å; N24-L43 PolarHBondContact OD1-O 3.17Å; N24-L43 VanDerWaalsContact OD1-O 3.12Å; N24-F44 WeakPolarHBondContact OD1-CA 3.46Å; N24-P46 WeakPolarHBondContact ND2-CB 3.4Å; N24-P46 WeakPolarHBondContact OD1-CD 3.42Å; N24-F47 HydrophobicContact CB-CD2 3.9Å; N24-F47 HydrophobicContact CB-CE2 3.57Å; N24-F47 HydrophobicContact CB-CZ 4.31Å; N24-F47 WeakPolarHBondContact ND2-CD2 3.47Å; N24-F47 VanDerWaalsContact ND2-CE2 3.3Å; N24-F47 WeakPolarHBondContact ND2-CE2 3.46Å; N24-F47 WeakPolarHBondContact ND2-CG 3.26Å; N24-F47 PolarHBondContact ND2-N 3.36Å; N24-F47 VanDerWaalsContact ND2-N 3.19Å; N24-F47 WeakPolarHBondContact OD1-CD2 3.49Å |
| 25 | L | 92.5 | Very high | 90.3 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.8 | -72.7 | 177.6 | 0 | 0 | 0 | 111.8 | L21 S22 A23 C28 L29 F232 L235 F236 V239 | L21-L25 HydrophobicContact CD2-CD1 3.57Å; L21-L25 HydrophobicContact CD2-CG 4.15Å; L21-L25 WeakPolarHBondContact O-CG 3.4Å; L21-L25 PolarHBondContact O-N 3.44Å; S22-L25 PolarHBondContact O-N 3.1Å; A23-L25 PolarHBondContact O-N 3.05Å; L25-C28 PolarHBondContact O-N 3.45Å; L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 PolarHBondContact O-N 3.49Å; L25-F232 HydrophobicContact CD2-CE1 4.36Å; L25-L235 HydrophobicContact CD1-CD2 3.63Å; L25-L235 HydrophobicContact CD1-CG 3.91Å; L25-L235 HydrophobicContact CD2-CD2 3.55Å; L25-L235 HydrophobicContact CG-CD2 4.24Å; L25-F236 HydrophobicContact CB-CE1 3.95Å; L25-F236 HydrophobicContact CB-CZ 4.04Å; L25-V239 HydrophobicContact CD1-CG2 3.99Å |
| 26 | I | 92.6 | Very high | 90.5 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 175.8 | -65.5 | 167.7 | 0 | 0 | 0 | 110.3 | S22 A23 C28 L29 L30 F236 | S22-I26 WeakPolarHBondContact O-CG1 3.48Å; S22-I26 PolarHBondContact O-N 3.28Å; A23-I26 PolarHBondContact O-N 3.35Å; I26-C28 VanDerWaalsContact C-N 3.31Å; I26-C28 PolarHBondContact O-N 3.17Å; I26-L29 PolarHBondContact O-N 3.44Å; I26-L30 HydrophobicContact CG2-CD1 3.85Å; I26-L30 HydrophobicContact CG2-CG 4.4Å; I26-L30 WeakPolarHBondContact O-CB 3.29Å; I26-L30 VanDerWaalsContact O-CG 3.3Å; I26-L30 WeakPolarHBondContact O-CG 3.5Å; I26-L30 PolarHBondContact O-N 2.93Å; I26-F236 HydrophobicContact CG1-CE1 3.71Å; I26-F236 HydrophobicContact CG1-CZ 4.06Å |
| 27 | L | 92.8 | Very high | 90.5 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -40.3 | 177.2 | -71.3 | 173.3 | 0 | 0 | 0 | 112.2 | A23 N24 L30 R31 F42 P46 | A23-L27 WeakPolarHBondContact O-CG 3.39Å; A23-L27 PolarHBondContact O-N 2.94Å; N24-L27 PolarHBondContact O-N 3.02Å; L27-L30 PolarHBondContact O-N 3.16Å; L27-R31 WeakPolarHBondContact O-CB 3.25Å; L27-R31 PolarHBondContact O-N 2.99Å; L27-F42 HydrophobicContact CD2-CE1 4.2Å; L27-P46 HydrophobicContact CD1-CG 3.84Å |
| 28 | C | 91 | Very high | 90.5 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 177.2 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | N24 L25 I26 R31 I32 L43 | N24-C28 VanDerWaalsContact O-CB 3.26Å; N24-C28 WeakPolarHBondContact O-CB 3.37Å; N24-C28 PolarHBondContact O-N 3.25Å; L25-C28 PolarHBondContact O-N 3.45Å; I26-C28 VanDerWaalsContact C-N 3.31Å; I26-C28 PolarHBondContact O-N 3.17Å; C28-R31 PolarHBondContact O-N 3.32Å; C28-I32 WeakPolarHBondContact O-CB 3.49Å; C28-I32 VanDerWaalsContact O-CG1 3.27Å; C28-I32 WeakPolarHBondContact O-CG1 3.28Å; C28-I32 PolarHBondContact O-N 3.48Å; C28-L43 HydrophobicContact CB-CD1 4.46Å |
| 29 | L | 92.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 61.9 Ų | 61.9 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.9 | -173.6 | 67.4 | 0 | 0 | 0 | 111.9 | L25 I26 R31 I32 N33 N229 F232 F236 | L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 PolarHBondContact O-N 3.49Å; I26-L29 PolarHBondContact O-N 3.44Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 2.97Å; L29-I32 PolarHBondContact O-N 2.9Å; L29-N33 WeakPolarHBondContact O-CB 3.31Å; L29-N33 PolarHBondContact O-N 2.88Å; L29-N33 PolarHBondContact O-ND2 3.09Å; L29-N229 WeakPolarHBondContact CD1-OD1 3.46Å; L29-N229 WeakPolarHBondContact CD2-OD1 3.4Å; L29-F232 HydrophobicContact CD1-CB 4.19Å; L29-F232 HydrophobicContact CD1-CD2 4.08Å; L29-F232 HydrophobicContact CD1-CG 4.14Å; L29-F236 HydrophobicContact CD2-CE2 3.9Å; L29-F236 HydrophobicContact CD2-CZ 4.36Å |
| 30 | L | 92.1 | Very high | 90.5 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 29% | 0.293 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 177 | -72.4 | 169.9 | 0 | 0 | 0 | 112 | I26 L27 Y35 I36 | I26-L30 HydrophobicContact CG2-CD1 3.85Å; I26-L30 HydrophobicContact CG2-CG 4.4Å; I26-L30 WeakPolarHBondContact O-CB 3.29Å; I26-L30 VanDerWaalsContact O-CG 3.3Å; I26-L30 WeakPolarHBondContact O-CG 3.5Å; I26-L30 PolarHBondContact O-N 2.93Å; L27-L30 PolarHBondContact O-N 3.16Å; L30-Y35 HydrophobicContact CD2-CD2 3.94Å; L30-Y35 HydrophobicContact CD2-CG 4.32Å; L30-Y35 WeakPolarHBondContact O-CB 3.29Å; L30-Y35 PolarHBondContact O-N 3.4Å; L30-I36 HydrophobicContact CB-CD1 3.94Å; L30-I36 HydrophobicContact CB-CG1 4.2Å; L30-I36 HydrophobicContact CD1-CD1 3.78Å; L30-I36 HydrophobicContact CG-CD1 4.36Å; L30-I36 PolarHBondContact O-N 3.3Å |
| 31 | R | 90.5 | Very high | 90.5 | Very high | 64 Ų | 64 | 61 Ų | 61 | 24% | 0.242 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70 | -43.5 | 175 | -173.7 | -178.2 | 179.8 | 178.6 | 1.1 | 112.3 | L27 C28 L29 N33 D34 L43 | L27-R31 WeakPolarHBondContact O-CB 3.25Å; L27-R31 PolarHBondContact O-N 2.99Å; C28-R31 PolarHBondContact O-N 3.32Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 2.97Å; R31-N33 PolarHBondContact O-N 3.45Å; R31-D34 PolarHBondContact O-N 3.22Å; R31-D34 VanDerWaalsContact O-N 3.09Å; R31-L43 HydrophobicContact CB-CD1 3.87Å; R31-L43 HydrophobicContact CG-CD1 4.19Å |
| 32 | I | 88.7 | Confident | 90.5 | Very high | 61 Ų | 61 | 64 Ų | 64 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.5 | -33.5 | -179.3 | -72.3 | 168.8 | 0 | 0 | 0 | 111.5 | C28 L29 D34 Y228 F232 | C28-I32 WeakPolarHBondContact O-CB 3.49Å; C28-I32 VanDerWaalsContact O-CG1 3.27Å; C28-I32 WeakPolarHBondContact O-CG1 3.28Å; C28-I32 PolarHBondContact O-N 3.48Å; L29-I32 PolarHBondContact O-N 2.9Å; I32-D34 PolarHBondContact O-N 3.36Å; I32-Y228 HydrophobicContact CG2-CD1 3.99Å; I32-Y228 HydrophobicContact CG2-CD2 3.31Å; I32-Y228 HydrophobicContact CG2-CE1 4.32Å; I32-Y228 HydrophobicContact CG2-CE2 3.67Å; I32-Y228 HydrophobicContact CG2-CG 3.48Å; I32-Y228 VanDerWaalsContact CG2-CG 3.48Å; I32-F232 HydrophobicContact CD1-CE2 4.29Å; I32-F232 HydrophobicContact CD1-CZ 4.12Å |
| 33 | N | 89.5 | Confident | 90.4 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 11.4 | 176.5 | -67.1 | -35.3 | 0 | 0 | 0 | 113.7 | L29 R31 Y35 N229 | L29-N33 WeakPolarHBondContact O-CB 3.31Å; L29-N33 PolarHBondContact O-N 2.88Å; L29-N33 PolarHBondContact O-ND2 3.09Å; R31-N33 PolarHBondContact O-N 3.45Å; N33-Y35 HydrophobicContact CB-CD2 3.45Å; N33-Y35 VanDerWaalsContact CB-CD2 3.45Å; N33-Y35 HydrophobicContact CB-CE2 3.49Å; N33-Y35 VanDerWaalsContact CB-CE2 3.49Å; N33-Y35 HydrophobicContact CB-CG 4.43Å; N33-Y35 PolarHBondContact O-N 3.42Å; N33-N229 PolarHBondContact ND2-OD1 3.45Å |
| 34 | D | 86.3 | Confident | 90.3 | Very high | 114 Ų | 114 | 63.4 Ų | 63.4 | 61% | 0.61 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 19.4 | -178.7 | -62.7 | -50.7 | 0 | 0 | 0 | 114.8 | R31 I32 I36 H37 | R31-D34 PolarHBondContact O-N 3.22Å; R31-D34 VanDerWaalsContact O-N 3.09Å; I32-D34 PolarHBondContact O-N 3.36Å; D34-I36 VanDerWaalsContact C-N 3.27Å; D34-I36 PolarHBondContact O-N 3.07Å; D34-H37 IonicContact OD1-CE1 2.79Å |
| 35 | Y | 89.6 | Confident | 90.2 | Very high | 163 Ų | 163 | 67.3 Ų | 67.3 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70 | -30.1 | 173.4 | -70.5 | -62.1 | 0 | 0 | 0 | 111.7 | L30 N33 | L30-Y35 HydrophobicContact CD2-CD2 3.94Å; L30-Y35 HydrophobicContact CD2-CG 4.32Å; L30-Y35 WeakPolarHBondContact O-CB 3.29Å; L30-Y35 PolarHBondContact O-N 3.4Å; N33-Y35 HydrophobicContact CB-CD2 3.45Å; N33-Y35 VanDerWaalsContact CB-CD2 3.45Å; N33-Y35 HydrophobicContact CB-CE2 3.49Å; N33-Y35 VanDerWaalsContact CB-CE2 3.49Å; N33-Y35 HydrophobicContact CB-CG 4.43Å; N33-Y35 PolarHBondContact O-N 3.42Å |
| 36 | I | 90 | Very high | 90.2 | Very high | 62 Ų | 62 | 67 Ų | 67 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | trans | -137.5 | 119.2 | -176.5 | -53.4 | -179.1 | 0 | 0 | 0 | 109.9 | L30 D34 V38 | L30-I36 HydrophobicContact CB-CD1 3.94Å; L30-I36 HydrophobicContact CB-CG1 4.2Å; L30-I36 HydrophobicContact CD1-CD1 3.78Å; L30-I36 HydrophobicContact CG-CD1 4.36Å; L30-I36 PolarHBondContact O-N 3.3Å; D34-I36 VanDerWaalsContact C-N 3.27Å; D34-I36 PolarHBondContact O-N 3.07Å; I36-V38 VanDerWaalsContact C-N 3.35Å; I36-V38 HydrophobicContact CB-CG2 4.5Å; I36-V38 HydrophobicContact CG2-CB 3.94Å; I36-V38 HydrophobicContact CG2-CG1 3.3Å; I36-V38 HydrophobicContact CG2-CG2 3.7Å; I36-V38 PolarHBondContact O-N 3.06Å | ||
| 37 | H | 86.7 | Confident | 90 | Very high | 159 Ų | 159 | 64.8 Ų | 64.8 | 74% | 0.736 | 31% | 0.309 | S | S | * | . | trans | -92.4 | 62 | 172.3 | -58.8 | -64.2 | 0 | 0 | 0 | 111.4 | D34 | D34-H37 IonicContact OD1-CE1 2.79Š| ||
| 38 | V | 88.3 | Confident | 89.8 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 22% | 0.218 | 31% | 0.311 | C | S | . | . | trans | -88.8 | 146.4 | 176.8 | -80 | 0 | 0 | 0 | 0 | 111.9 | I36 F42 | I36-V38 VanDerWaalsContact C-N 3.35Å; I36-V38 HydrophobicContact CB-CG2 4.5Å; I36-V38 HydrophobicContact CG2-CB 3.94Å; I36-V38 HydrophobicContact CG2-CG1 3.3Å; I36-V38 HydrophobicContact CG2-CG2 3.7Å; I36-V38 PolarHBondContact O-N 3.06Å; V38-F42 HydrophobicContact CB-CB 4.22Å; V38-F42 HydrophobicContact CB-CD1 3.93Å; V38-F42 HydrophobicContact CB-CG 4.44Å; V38-F42 HydrophobicContact CG1-CD1 3.72Å; V38-F42 HydrophobicContact CG1-CE1 4.25Å; V38-F42 HydrophobicContact CG1-CG 4.35Å; V38-F42 HydrophobicContact CG2-CD1 4.09Å | ||
| 39 | N | 90.3 | Very high | 89.6 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | trans | -56.1 | 151.3 | 173.6 | -63.2 | 8.6 | 0 | 0 | 0 | 111 | W41 F42 L43 | N39-W41 PolarHBondContact O-N 3Å; N39-W41 VanDerWaalsContact O-N 3.11Å; N39-F42 PolarHBondContact O-N 2.98Å; N39-L43 PolarHBondContact O-N 3.39Å | ||
| 40 | A | 88.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.9 | -33.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | F42 L43 F44 C91 L94 E95 | A40-F42 VanDerWaalsContact C-N 3.32Å; A40-F42 PolarHBondContact O-N 2.87Å; A40-L43 PolarHBondContact O-N 3.41Å; A40-F44 VanDerWaalsContact O-CD2 3.25Å; A40-F44 WeakPolarHBondContact O-CD2 3.33Å; A40-F44 PolarHBondContact O-N 3.28Å; A40-C91 HydrophobicContact CB-CB 4.43Å; A40-L94 HydrophobicContact CB-CB 3.76Å; A40-L94 HydrophobicContact CB-CD1 4.31Å; A40-E95 PolarHBondContact N-OE2 3.3Å |
| 41 | W | 91.7 | Very high | 89.2 | Confident | 121 Ų | 121 | 66.6 Ų | 66.6 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 176.4 | -61.2 | 91.2 | 0 | 0 | 0 | 113.5 | N39 W48 C91 | N39-W41 PolarHBondContact O-N 3Å; N39-W41 VanDerWaalsContact O-N 3.11Å; W41-W48 AromaticContact CE3-CZ2 3.85Å; W41-W48 HydrophobicContact CE3-CZ2 3.85Å; W41-W48 AromaticContact CZ3-CH2 3.97Å; W41-W48 HydrophobicContact CZ3-CH2 3.97Å; W41-W48 AromaticContact CZ3-CZ2 3.64Å; W41-W48 HydrophobicContact CZ3-CZ2 3.64Å; W41-C91 HydrophobicContact CD2-CB 4.15Å; W41-C91 HydrophobicContact CE3-CB 4.39Å; W41-C91 HydrophobicContact CZ2-CB 4.27Å |
| 42 | F | 90.6 | Very high | 89 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -74.8 | -32.8 | -179.7 | -172.6 | -96.1 | 0 | 0 | 0 | 111.7 | L27 V38 N39 A40 F44 M45 | L27-F42 HydrophobicContact CD2-CE1 4.2Å; V38-F42 HydrophobicContact CB-CB 4.22Å; V38-F42 HydrophobicContact CB-CD1 3.93Å; V38-F42 HydrophobicContact CB-CG 4.44Å; V38-F42 HydrophobicContact CG1-CD1 3.72Å; V38-F42 HydrophobicContact CG1-CE1 4.25Å; V38-F42 HydrophobicContact CG1-CG 4.35Å; V38-F42 HydrophobicContact CG2-CD1 4.09Å; N39-F42 PolarHBondContact O-N 2.98Å; A40-F42 VanDerWaalsContact C-N 3.32Å; A40-F42 PolarHBondContact O-N 2.87Å; F42-F44 VanDerWaalsContact C-N 3.25Å; F42-F44 PolarHBondContact O-N 2.93Å; F42-M45 WeakPolarHBondContact O-CB 3.3Å; F42-M45 PolarHBondContact O-N 3.43Å |
| 43 | L | 89.9 | Confident | 88.9 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.5 | -37 | 177.7 | -178.5 | 144.8 | 0 | 0 | 0 | 112.4 | N24 C28 R31 N39 A40 M45 | N24-L43 PolarHBondContact OD1-O 3.17Å; N24-L43 VanDerWaalsContact OD1-O 3.12Å; C28-L43 HydrophobicContact CB-CD1 4.46Å; R31-L43 HydrophobicContact CB-CD1 3.87Å; R31-L43 HydrophobicContact CG-CD1 4.19Å; N39-L43 PolarHBondContact O-N 3.39Å; A40-L43 PolarHBondContact O-N 3.41Å; L43-M45 VanDerWaalsContact C-N 3.35Å |
| 44 | F | 91.2 | Very high | 88.6 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 12% | 0.118 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 7.4 | 178.1 | -63.6 | -73 | 0 | 0 | 0 | 113.6 | N24 A40 F42 P46 F47 W48 L90 C91 L94 | N24-F44 WeakPolarHBondContact OD1-CA 3.46Å; A40-F44 VanDerWaalsContact O-CD2 3.25Å; A40-F44 WeakPolarHBondContact O-CD2 3.33Å; A40-F44 PolarHBondContact O-N 3.28Å; F42-F44 VanDerWaalsContact C-N 3.25Å; F42-F44 PolarHBondContact O-N 2.93Å; F44-P46 VanDerWaalsContact C-CD 3.49Å; F44-F47 HydrophobicContact CD1-CD2 4.23Å; F44-F47 WeakPolarHBondContact O-CA 3.36Å; F44-F47 WeakPolarHBondContact O-CB 3.5Å; F44-F47 PolarHBondContact O-N 3.19Å; F44-W48 VanDerWaalsContact C-CD1 3.44Å; F44-W48 PolarHBondContact O-N 2.75Å; F44-L90 HydrophobicContact CE1-CD2 3.74Å; F44-L90 HydrophobicContact CE2-CD2 3.95Å; F44-L90 HydrophobicContact CE2-CG 4.13Å; F44-L90 HydrophobicContact CZ-CD2 3.26Å; F44-L90 HydrophobicContact CZ-CG 3.88Å; F44-C91 VanDerWaalsContact CD2-SG 3.53Å; F44-L94 HydrophobicContact CE2-CD1 3.84Å; F44-L94 HydrophobicContact CZ-CD1 4.19Å |
| 45 | M | 90.1 | Very high | 88.4 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -53.1 | -43 | -173.6 | -176.5 | -85.5 | -177.5 | 0 | 0 | 114 | F42 L43 F47 W48 L49 | F42-M45 WeakPolarHBondContact O-CB 3.3Å; F42-M45 PolarHBondContact O-N 3.43Å; L43-M45 VanDerWaalsContact C-N 3.35Å; M45-F47 VanDerWaalsContact C-N 3.28Å; M45-F47 PolarHBondContact O-N 2.96Å; M45-W48 WeakPolarHBondContact O-CB 3.44Å; M45-W48 PolarHBondContact O-N 2.99Å; M45-L49 PolarHBondContact O-N 2.98Å |
| 46 | P | 90.7 | Very high | 88 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.7 | -29.9 | 176.8 | -9.9 | 19.4 | 0 | 0 | 0 | 113.1 | A20 A23 N24 L27 F44 W50 | A20-P46 HydrophobicContact CB-CB 4.39Å; A23-P46 HydrophobicContact CB-CB 4.02Å; A23-P46 HydrophobicContact CB-CG 3.81Å; N24-P46 WeakPolarHBondContact ND2-CB 3.4Å; N24-P46 WeakPolarHBondContact OD1-CD 3.42Å; L27-P46 HydrophobicContact CD1-CG 3.84Å; F44-P46 VanDerWaalsContact C-CD 3.49Å; P46-W50 WeakPolarHBondContact O-CB 3.38Å; P46-W50 PolarHBondContact O-N 3.21Å; P46-W50 VanDerWaalsContact O-N 3.07Å |
| 47 | F | 88.4 | Confident | 87.6 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.7 | -37.3 | 172.2 | -80.9 | -54 | 0 | 0 | 0 | 112.5 | F17 L21 N24 F44 M45 L49 W50 N51 | F17-F47 HydrophobicContact CE2-CE1 4.05Å; F17-F47 HydrophobicContact CZ-CE1 4.47Å; L21-F47 HydrophobicContact CB-CZ 4.39Å; L21-F47 HydrophobicContact CG-CZ 4.46Å; N24-F47 HydrophobicContact CB-CD2 3.9Å; N24-F47 HydrophobicContact CB-CE2 3.57Å; N24-F47 HydrophobicContact CB-CZ 4.31Å; N24-F47 WeakPolarHBondContact ND2-CD2 3.47Å; N24-F47 VanDerWaalsContact ND2-CE2 3.3Å; N24-F47 WeakPolarHBondContact ND2-CE2 3.46Å; N24-F47 WeakPolarHBondContact ND2-CG 3.26Å; N24-F47 PolarHBondContact ND2-N 3.36Å; N24-F47 VanDerWaalsContact ND2-N 3.19Å; N24-F47 WeakPolarHBondContact OD1-CD2 3.49Å; F44-F47 HydrophobicContact CD1-CD2 4.23Å; F44-F47 WeakPolarHBondContact O-CA 3.36Å; F44-F47 WeakPolarHBondContact O-CB 3.5Å; F44-F47 PolarHBondContact O-N 3.19Å; M45-F47 VanDerWaalsContact C-N 3.28Å; M45-F47 PolarHBondContact O-N 2.96Å; F47-L49 VanDerWaalsContact C-N 3.33Å; F47-L49 PolarHBondContact O-N 3.25Å; F47-W50 WeakPolarHBondContact O-CB 3.35Å; F47-W50 PolarHBondContact O-N 3.08Å; F47-N51 PolarHBondContact O-N 2.92Å; F47-N51 PolarHBondContact O-ND2 3.46Å |
| 48 | W | 89 | Confident | 87.1 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 21% | 0.205 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 171.8 | -74.3 | 108.1 | 0 | 0 | 0 | 111.3 | W41 F44 M45 W50 N51 I52 L84 I88 | W41-W48 AromaticContact CE3-CZ2 3.85Å; W41-W48 HydrophobicContact CE3-CZ2 3.85Å; W41-W48 AromaticContact CZ3-CH2 3.97Å; W41-W48 HydrophobicContact CZ3-CH2 3.97Å; W41-W48 AromaticContact CZ3-CZ2 3.64Å; W41-W48 HydrophobicContact CZ3-CZ2 3.64Å; F44-W48 VanDerWaalsContact C-CD1 3.44Å; F44-W48 PolarHBondContact O-N 2.75Å; M45-W48 WeakPolarHBondContact O-CB 3.44Å; M45-W48 PolarHBondContact O-N 2.99Å; W48-W50 VanDerWaalsContact C-N 3.32Å; W48-W50 PolarHBondContact O-N 3.44Å; W48-N51 PolarHBondContact O-N 2.83Å; W48-I52 VanDerWaalsContact O-CG1 3.29Å; W48-I52 WeakPolarHBondContact O-CG1 3.46Å; W48-I52 PolarHBondContact O-N 3.29Å; W48-L84 HydrophobicContact CE3-CD1 3.72Å; W48-L84 HydrophobicContact CH2-CD1 4.26Å; W48-L84 HydrophobicContact CZ3-CD1 3.48Å; W48-L84 VanDerWaalsContact CZ3-CD1 3.48Å; W48-L84 HydrophobicContact CZ3-CG 4.38Å; W48-I88 HydrophobicContact CH2-CD1 4.08Å; W48-I88 HydrophobicContact CH2-CG1 3.39Å; W48-I88 HydrophobicContact CZ2-CG1 4Å; W48-I88 HydrophobicContact CZ3-CG1 4.34Å |
| 49 | L | 88.2 | Confident | 86.6 | Confident | 103 Ų | 103 | 55.5 Ų | 55.5 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 178 | -172.2 | 63.5 | 0 | 0 | 0 | 111.5 | M45 F47 I52 L53 | M45-L49 PolarHBondContact O-N 2.98Å; F47-L49 VanDerWaalsContact C-N 3.33Å; F47-L49 PolarHBondContact O-N 3.25Å; L49-I52 PolarHBondContact O-N 3Å; L49-L53 WeakPolarHBondContact O-CB 3.3Å; L49-L53 PolarHBondContact O-N 3.37Å |
| 50 | W | 88.6 | Confident | 86.2 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 10% | 0.095 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 173.7 | 175.4 | -105 | 0 | 0 | 0 | 112.5 | Q13 L16 F17 A20 P46 F47 W48 I52 L53 V54 | Q13-W50 HydrophobicContact CB-CH2 4.43Å; Q13-W50 HydrophobicContact CG-CH2 3.43Å; Q13-W50 VanDerWaalsContact CG-CH2 3.43Å; Q13-W50 HydrophobicContact CG-CZ2 3.94Å; Q13-W50 WeakPolarHBondContact O-CH2 3.36Å; L16-W50 HydrophobicContact CB-CE3 4.39Å; L16-W50 HydrophobicContact CB-CH2 4.35Å; L16-W50 HydrophobicContact CB-CZ3 3.6Å; F17-W50 HydrophobicContact CB-CH2 3.94Å; F17-W50 HydrophobicContact CB-CZ2 3.83Å; F17-W50 HydrophobicContact CB-CZ3 4.44Å; F17-W50 HydrophobicContact CD2-CD2 4.3Å; F17-W50 AromaticContact CD2-CE2 3.8Å; F17-W50 HydrophobicContact CD2-CG 4.43Å; F17-W50 HydrophobicContact CD2-CZ2 4.17Å; F17-W50 AromaticContact CD2-NE1 3.66Å; F17-W50 HydrophobicContact CG-CZ2 4.42Å; A20-W50 HydrophobicContact CB-CB 4.42Å; P46-W50 WeakPolarHBondContact O-CB 3.38Å; P46-W50 PolarHBondContact O-N 3.21Å; P46-W50 VanDerWaalsContact O-N 3.07Å; F47-W50 WeakPolarHBondContact O-CB 3.35Å; F47-W50 PolarHBondContact O-N 3.08Å; W48-W50 VanDerWaalsContact C-N 3.32Å; W48-W50 PolarHBondContact O-N 3.44Å; W50-I52 PolarHBondContact O-N 3.31Å; W50-L53 HydrophobicContact CE3-CD2 4.21Å; W50-L53 HydrophobicContact CZ3-CD2 4.19Å; W50-L53 WeakPolarHBondContact O-CB 3.33Å; W50-L53 PolarHBondContact O-N 2.94Å; W50-V54 HydrophobicContact CD2-CG2 4.12Å; W50-V54 HydrophobicContact CH2-CG2 4.41Å; W50-V54 HydrophobicContact CZ2-CG2 3.82Å; W50-V54 WeakPolarHBondContact O-CG2 3.38Å; W50-V54 PolarHBondContact O-N 3.45Å |
| 51 | N | 86.6 | Confident | 85.5 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 179.7 | -72.1 | -24.8 | 0 | 0 | 0 | 110.9 | F47 W48 L53 V54 F55 L84 Q87 | F47-N51 PolarHBondContact O-N 2.92Å; F47-N51 PolarHBondContact O-ND2 3.46Å; W48-N51 PolarHBondContact O-N 2.83Å; N51-L53 VanDerWaalsContact C-N 3.31Å; N51-L53 PolarHBondContact O-N 3.01Å; N51-V54 PolarHBondContact O-N 3.21Å; N51-F55 HydrophobicContact CB-CD2 4.43Å; N51-F55 WeakPolarHBondContact O-CB 3.18Å; N51-F55 WeakPolarHBondContact O-CD2 3.4Å; N51-F55 PolarHBondContact O-N 3.49Å; N51-L84 HydrophobicContact CB-CD1 4.09Å; N51-Q87 PolarHBondContact ND2-OE1 3.25Å |
| 52 | I | 86.9 | Confident | 84.6 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 56% | 0.564 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 175.4 | -68.2 | 166.8 | 0 | 0 | 0 | 110.9 | W48 L49 W50 G56 | W48-I52 VanDerWaalsContact O-CG1 3.29Å; W48-I52 WeakPolarHBondContact O-CG1 3.46Å; W48-I52 PolarHBondContact O-N 3.29Å; L49-I52 PolarHBondContact O-N 3Å; W50-I52 PolarHBondContact O-N 3.31Å; I52-G56 WeakPolarHBondContact O-CA 3.3Å; I52-G56 PolarHBondContact O-N 3.22Å |
| 53 | L | 86.3 | Confident | 84 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 53% | 0.534 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 177.1 | -177.5 | 68.5 | 0 | 0 | 0 | 111.5 | L16 L49 W50 N51 G57 | L16-L53 HydrophobicContact CD1-CD2 4.42Å; L49-L53 WeakPolarHBondContact O-CB 3.3Å; L49-L53 PolarHBondContact O-N 3.37Å; W50-L53 HydrophobicContact CE3-CD2 4.21Å; W50-L53 HydrophobicContact CZ3-CD2 4.19Å; W50-L53 WeakPolarHBondContact O-CB 3.33Å; W50-L53 PolarHBondContact O-N 2.94Å; N51-L53 VanDerWaalsContact C-N 3.31Å; N51-L53 PolarHBondContact O-N 3.01Å; L53-G57 PolarHBondContact O-N 3.46Å |
| 54 | V | 83.1 | Confident | 83.3 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67 | -49.1 | 179.2 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | W50 N51 S58 Y76 Q80 | W50-V54 HydrophobicContact CD2-CG2 4.12Å; W50-V54 HydrophobicContact CH2-CG2 4.41Å; W50-V54 HydrophobicContact CZ2-CG2 3.82Å; W50-V54 WeakPolarHBondContact O-CG2 3.38Å; W50-V54 PolarHBondContact O-N 3.45Å; N51-V54 PolarHBondContact O-N 3.21Å; V54-S58 WeakPolarHBondContact O-CB 3.44Å; V54-S58 PolarHBondContact O-N 3.11Å; V54-Y76 HydrophobicContact CG1-CE1 3.59Å; V54-Y76 WeakPolarHBondContact CG1-OH 3.49Å; V54-Q80 HydrophobicContact CG1-CG 3.97Å |
| 55 | F | 82.8 | Confident | 82.2 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 22% | 0.219 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.3 | -45 | 178.1 | -83.5 | -68.2 | 0 | 0 | 0 | 111.9 | N51 S58 L59 Y77 Q80 I81 L84 | N51-F55 HydrophobicContact CB-CD2 4.43Å; N51-F55 WeakPolarHBondContact O-CB 3.18Å; N51-F55 WeakPolarHBondContact O-CD2 3.4Å; N51-F55 PolarHBondContact O-N 3.49Å; F55-S58 PolarHBondContact O-N 3.27Å; F55-L59 VanDerWaalsContact O-CB 3.29Å; F55-L59 WeakPolarHBondContact O-CB 3.43Å; F55-L59 PolarHBondContact O-N 3.39Å; F55-Y77 HydrophobicContact CD1-CD1 4.29Å; F55-Y77 HydrophobicContact CD1-CE1 4.48Å; F55-Y77 HydrophobicContact CE1-CD1 4.13Å; F55-Q80 HydrophobicContact CE1-CB 4Å; F55-Q80 HydrophobicContact CE2-CB 3.77Å; F55-Q80 HydrophobicContact CZ-CB 3.4Å; F55-I81 HydrophobicContact CE1-CG1 3.98Å; F55-I81 HydrophobicContact CZ-CG1 3.74Å; F55-L84 HydrophobicContact CE2-CD2 4.2Å |
| 56 | G | 80.8 | Confident | 80.9 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I52 S58 L59 I60 | I52-G56 WeakPolarHBondContact O-CA 3.3Å; I52-G56 PolarHBondContact O-N 3.22Å; G56-S58 VanDerWaalsContact C-N 3.32Å; G56-S58 PolarHBondContact O-N 3.07Å; G56-L59 PolarHBondContact O-N 3.19Å; G56-I60 WeakPolarHBondContact O-CB 3.36Å; G56-I60 WeakPolarHBondContact O-CD1 3.48Å; G56-I60 WeakPolarHBondContact O-CG1 3.26Å; G56-I60 PolarHBondContact O-N 2.94Å |
| 57 | G | 80.1 | Confident | 79.3 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L53 L61 | L53-G57 PolarHBondContact O-N 3.46Å; G57-L61 WeakPolarHBondContact O-CG 3.46Å; G57-L61 PolarHBondContact O-N 3.32Å; G57-L61 VanDerWaalsContact O-N 3.08Å |
| 58 | S | 76.8 | Confident | 78.1 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70 | -38 | 178.5 | -158.9 | 0 | 0 | 0 | 0 | 112.8 | V54 F55 G56 L61 F62 Y77 | V54-S58 WeakPolarHBondContact O-CB 3.44Å; V54-S58 PolarHBondContact O-N 3.11Å; F55-S58 PolarHBondContact O-N 3.27Å; G56-S58 VanDerWaalsContact C-N 3.32Å; G56-S58 PolarHBondContact O-N 3.07Å; S58-L61 PolarHBondContact O-N 3.23Å; S58-F62 WeakPolarHBondContact O-CB 3.36Å; S58-F62 PolarHBondContact O-N 3.13Å; S58-Y77 WeakPolarHBondContact CB-OH 3.44Å; S58-Y77 PolarHBondContact O-OH 3.08Å; S58-Y77 WeakPolarHBondContact OG-CE1 3.37Å; S58-Y77 PolarHBondContact OG-OH 3.28Å |
| 59 | L | 78.6 | Confident | 76.8 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 176.5 | -173.3 | 149.3 | 0 | 0 | 0 | 111.7 | F55 G56 F62 L63 | F55-L59 VanDerWaalsContact O-CB 3.29Å; F55-L59 WeakPolarHBondContact O-CB 3.43Å; F55-L59 PolarHBondContact O-N 3.39Å; G56-L59 PolarHBondContact O-N 3.19Å; L59-F62 WeakPolarHBondContact O-CB 3.17Å; L59-F62 PolarHBondContact O-N 3.4Å; L59-L63 HydrophobicContact CD2-CD1 3.58Å; L59-L63 HydrophobicContact CD2-CG 4.14Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.28Å |
| 60 | I | 81 | Confident | 76 | Confident | 93 Ų | 93 | 82.2 Ų | 82.2 | 48% | 0.477 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 174.3 | -68.1 | 161.1 | 0 | 0 | 0 | 109.8 | G56 F62 L63 F64 | G56-I60 WeakPolarHBondContact O-CB 3.36Å; G56-I60 WeakPolarHBondContact O-CD1 3.48Å; G56-I60 WeakPolarHBondContact O-CG1 3.26Å; G56-I60 PolarHBondContact O-N 2.94Å; I60-F62 VanDerWaalsContact C-N 3.31Å; I60-F62 PolarHBondContact O-N 3.12Å; I60-L63 PolarHBondContact O-N 2.78Å; I60-F64 HydrophobicContact CG2-CD2 3.7Å; I60-F64 HydrophobicContact CG2-CE2 4.01Å; I60-F64 WeakPolarHBondContact O-CB 3.49Å; I60-F64 WeakPolarHBondContact O-CD2 3.26Å; I60-F64 PolarHBondContact O-N 3.12Å |
| 61 | L | 74.4 | Confident | 75.4 | Confident | 103 Ų | 103 | 90.2 Ų | 90.2 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 176.6 | -74.2 | 172.6 | 0 | 0 | 0 | 112.6 | G57 S58 K65 L67 | G57-L61 WeakPolarHBondContact O-CG 3.46Å; G57-L61 PolarHBondContact O-N 3.32Å; G57-L61 VanDerWaalsContact O-N 3.08Å; S58-L61 PolarHBondContact O-N 3.23Å; L61-K65 WeakPolarHBondContact O-CB 3.46Å; L61-K65 PolarHBondContact O-N 3.4Å; L61-L67 HydrophobicContact CB-CD1 4.4Å |
| 62 | F | 72.9 | Confident | 74.8 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 41% | 0.408 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 176 | 178.9 | -103.3 | 0 | 0 | 0 | 111.7 | S58 L59 I60 S66 L69 | S58-F62 WeakPolarHBondContact O-CB 3.36Å; S58-F62 PolarHBondContact O-N 3.13Å; L59-F62 WeakPolarHBondContact O-CB 3.17Å; L59-F62 PolarHBondContact O-N 3.4Å; I60-F62 VanDerWaalsContact C-N 3.31Å; I60-F62 PolarHBondContact O-N 3.12Å; F62-S66 PolarHBondContact O-N 3.4Å; F62-L69 HydrophobicContact CD2-CD2 4.34Å; F62-L69 HydrophobicContact CE2-CD1 4.39Å; F62-L69 HydrophobicContact CE2-CD2 4.19Å; F62-L69 HydrophobicContact CE2-CG 4.04Å |
| 63 | L | 78.5 | Confident | 74.2 | Confident | 121 Ų | 121 | 92.7 Ų | 92.7 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.1 | -44.7 | 178.9 | -69.6 | 178.6 | 0 | 0 | 0 | 112.6 | L59 I60 | L59-L63 HydrophobicContact CD2-CD1 3.58Å; L59-L63 HydrophobicContact CD2-CG 4.14Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.28Å; I60-L63 PolarHBondContact O-N 2.78Å |
| 64 | F | 73.5 | Confident | 73.9 | Confident | 183 Ų | 183 | 92 Ų | 92 | 80% | 0.803 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -77.3 | -34.3 | -174.4 | -89.1 | -86.6 | 0 | 0 | 0 | 113.9 | I60 | I60-F64 HydrophobicContact CG2-CD2 3.7Å; I60-F64 HydrophobicContact CG2-CE2 4.01Å; I60-F64 WeakPolarHBondContact O-CB 3.49Å; I60-F64 WeakPolarHBondContact O-CD2 3.26Å; I60-F64 PolarHBondContact O-N 3.12Å |
| 65 | K | 69 | Low | 73.8 | Confident | 148 Ų | 148 | 92.8 Ų | 92.8 | 64% | 0.643 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -105.5 | -1.3 | -170.2 | -163.7 | 165.9 | 177.3 | 177.5 | 0 | 114.2 | L61 L67 | L61-K65 WeakPolarHBondContact O-CB 3.46Å; L61-K65 PolarHBondContact O-N 3.4Å; K65-L67 HydrophobicContact CB-CD1 3.9Å; K65-L67 HydrophobicContact CB-CG 3.86Å; K65-L67 HydrophobicContact CD-CD1 4.03Å; K65-L67 HydrophobicContact CD-CD2 4.27Å; K65-L67 HydrophobicContact CD-CG 4.05Å; K65-L67 HydrophobicContact CG-CD1 4.19Å; K65-L67 HydrophobicContact CG-CD2 4.41Å; K65-L67 HydrophobicContact CG-CG 3.87Å; K65-L67 PolarHBondContact O-N 3.46Å; K65-L67 VanDerWaalsContact O-N 3.1Å |
| 66 | S | 63.2 | Low | 73.6 | Confident | 105 Ų | 105 | 94.2 Ų | 94.2 | 73% | 0.734 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 45.8 | -173.4 | -166.9 | 0 | 0 | 0 | 0 | 110.5 | F62 N68 | F62-S66 PolarHBondContact O-N 3.4Å; S66-N68 PolarHBondContact O-N 3.42Å; S66-N68 VanDerWaalsContact O-N 3.13Å |
| 67 | L | 57.2 | Low | 73.7 | Confident | 77 Ų | 77 | 94.9 Ų | 94.9 | 40% | 0.403 | 49% | 0.488 | S | S | . | . | trans | -68.6 | 116.5 | -175.9 | -87.5 | 155.8 | 0 | 0 | 0 | 107.5 | L61 K65 L69 | L61-L67 HydrophobicContact CB-CD1 4.4Å; K65-L67 HydrophobicContact CB-CD1 3.9Å; K65-L67 HydrophobicContact CB-CG 3.86Å; K65-L67 HydrophobicContact CD-CD1 4.03Å; K65-L67 HydrophobicContact CD-CD2 4.27Å; K65-L67 HydrophobicContact CD-CG 4.05Å; K65-L67 HydrophobicContact CG-CD1 4.19Å; K65-L67 HydrophobicContact CG-CD2 4.41Å; K65-L67 HydrophobicContact CG-CG 3.87Å; K65-L67 PolarHBondContact O-N 3.46Å; K65-L67 VanDerWaalsContact O-N 3.1Å; L67-L69 PolarHBondContact O-N 2.84Å | ||
| 68 | N | 62.1 | Low | 74 | Confident | 141 Ų | 141 | 97.4 Ų | 97.4 | 75% | 0.754 | 49% | 0.493 | S | S | * | . | trans | -47.4 | 119.8 | 163.5 | -77.1 | -17.7 | 0 | 0 | 0 | 107.6 | S66 T70 | S66-N68 PolarHBondContact O-N 3.42Å; S66-N68 VanDerWaalsContact O-N 3.13Å; N68-T70 VanDerWaalsContact C-N 3.27Å; N68-T70 PolarHBondContact O-N 3.06Å | ||
| 69 | L | 61.9 | Low | 74.5 | Confident | 89 Ų | 89 | 96.6 Ų | 96.6 | 47% | 0.466 | 49% | 0.487 | S | S | . | . | trans | -57.1 | 95 | 175.2 | -75.4 | 166.2 | 0 | 0 | 0 | 107.8 | F62 L67 L74 Y77 | F62-L69 HydrophobicContact CD2-CD2 4.34Å; F62-L69 HydrophobicContact CE2-CD1 4.39Å; F62-L69 HydrophobicContact CE2-CD2 4.19Å; F62-L69 HydrophobicContact CE2-CG 4.04Å; L67-L69 PolarHBondContact O-N 2.84Å; L69-L74 HydrophobicContact CB-CG 4.44Å; L69-L74 HydrophobicContact CD1-CD2 4.38Å; L69-L74 HydrophobicContact CD2-CD2 4.32Å; L69-Y77 HydrophobicContact CD2-CE2 4.26Å | ||
| 70 | T | 71.3 | Confident | 74.8 | Confident | 80 Ų | 80 | 92.7 Ų | 92.7 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | trans | -66.5 | 147.9 | 173.1 | 59.3 | 0 | 0 | 0 | 0 | 107.3 | N68 L72 S73 L74 | N68-T70 VanDerWaalsContact C-N 3.27Å; N68-T70 PolarHBondContact O-N 3.06Å; T70-L72 PolarHBondContact O-N 3.03Å; T70-S73 WeakPolarHBondContact O-CB 3.45Å; T70-S73 PolarHBondContact O-N 3.45Å; T70-S73 PolarHBondContact OG1-N 3.28Å; T70-L74 PolarHBondContact O-N 3.15Å | ||
| 71 | K | 76.2 | Confident | 75.2 | Confident | 192 Ų | 192 | 92.2 Ų | 92.2 | 84% | 0.835 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -50.5 | -31.7 | 175.6 | -65.8 | 177.1 | -179.3 | 174.1 | 0 | 111.9 | F75 | K71-F75 PolarHBondContact O-N 3.31Å |
| 72 | L | 73.1 | Confident | 76 | Confident | 131 Ų | 131 | 88 Ų | 88 | 69% | 0.686 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69 | -39.9 | 176.2 | -172.2 | 67.5 | 0 | 0 | 0 | 113.2 | T70 F75 Y76 | T70-L72 PolarHBondContact O-N 3.03Å; L72-F75 PolarHBondContact O-N 3.45Å; L72-Y76 PolarHBondContact O-N 3.39Å |
| 73 | S | 75.5 | Confident | 76.9 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 24% | 0.238 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | T70 F75 Y76 Y77 | T70-S73 WeakPolarHBondContact O-CB 3.45Å; T70-S73 PolarHBondContact O-N 3.45Å; T70-S73 PolarHBondContact OG1-N 3.28Å; S73-F75 VanDerWaalsContact C-N 3.31Å; S73-F75 PolarHBondContact O-N 2.9Å; S73-Y76 PolarHBondContact O-N 3.25Å; S73-Y77 WeakPolarHBondContact O-CD2 3.43Å; S73-Y77 PolarHBondContact O-N 3.05Å; S73-Y77 WeakPolarHBondContact OG-CE2 3.48Å |
| 74 | L | 79.1 | Confident | 77.5 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 175.1 | -73.4 | 174.6 | 0 | 0 | 0 | 112.1 | L69 T70 Y77 L78 | L69-L74 HydrophobicContact CB-CG 4.44Å; L69-L74 HydrophobicContact CD1-CD2 4.38Å; L69-L74 HydrophobicContact CD2-CD2 4.32Å; T70-L74 PolarHBondContact O-N 3.15Å; L74-Y77 PolarHBondContact O-N 2.93Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 3.38Å |
| 75 | F | 81.6 | Confident | 78.5 | Confident | 34 Ų | 34 | 76 Ų | 76 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 176.4 | 175.7 | -98.5 | 0 | 0 | 0 | 112 | K71 L72 S73 Y77 L78 C79 L114 T118 E132 | K71-F75 PolarHBondContact O-N 3.31Å; L72-F75 PolarHBondContact O-N 3.45Å; S73-F75 VanDerWaalsContact C-N 3.31Å; S73-F75 PolarHBondContact O-N 2.9Å; F75-Y77 VanDerWaalsContact C-N 3.35Å; F75-Y77 PolarHBondContact O-N 3.47Å; F75-L78 PolarHBondContact O-N 3.41Å; F75-C79 PolarHBondContact O-N 3.21Å; F75-C79 PolarHBondContact O-SG 2.88Å; F75-C79 VanDerWaalsContact O-SG 3.42Å; F75-L114 HydrophobicContact CD2-CD2 4.49Å; F75-L114 HydrophobicContact CE2-CB 3.91Å; F75-L114 HydrophobicContact CE2-CD2 4.41Å; F75-T118 HydrophobicContact CD2-CG2 4.03Å; F75-T118 HydrophobicContact CE1-CG2 3.92Å; F75-T118 HydrophobicContact CE2-CG2 3.33Å; F75-T118 HydrophobicContact CZ-CG2 3.29Å; F75-E132 VanDerWaalsContact CE1-CD 3.46Å; F75-E132 WeakPolarHBondContact CE1-OE1 3.44Å; F75-E132 WeakPolarHBondContact CE1-OE2 3.3Å; F75-E132 VanDerWaalsContact CZ-OE2 3.29Å; F75-E132 WeakPolarHBondContact CZ-OE2 3.36Å |
| 76 | Y | 79.5 | Confident | 79.7 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 176 | -176 | -100.9 | 0 | 0 | 0 | 112.3 | V54 L72 S73 L78 C79 Q80 | V54-Y76 HydrophobicContact CG1-CE1 3.59Å; V54-Y76 WeakPolarHBondContact CG1-OH 3.49Å; L72-Y76 PolarHBondContact O-N 3.39Å; S73-Y76 PolarHBondContact O-N 3.25Å; Y76-L78 PolarHBondContact O-N 3.47Å; Y76-C79 WeakPolarHBondContact O-CB 3.45Å; Y76-C79 PolarHBondContact O-N 3.49Å; Y76-Q80 HydrophobicContact CD1-CG 4.03Å; Y76-Q80 HydrophobicContact CE1-CG 3.68Å; Y76-Q80 HydrophobicContact CE2-CG 4.49Å; Y76-Q80 WeakPolarHBondContact O-CG 3.47Å; Y76-Q80 PolarHBondContact O-N 3.11Å; Y76-Q80 PolarHBondContact OH-NE2 3.38Å |
| 77 | Y | 82.9 | Confident | 81.1 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 175.4 | -76.4 | -62.8 | 0 | 0 | 0 | 112.4 | F55 S58 L69 S73 L74 F75 C79 Q80 I81 | F55-Y77 HydrophobicContact CD1-CD1 4.29Å; F55-Y77 HydrophobicContact CD1-CE1 4.48Å; F55-Y77 HydrophobicContact CE1-CD1 4.13Å; S58-Y77 WeakPolarHBondContact CB-OH 3.44Å; S58-Y77 PolarHBondContact O-OH 3.08Å; S58-Y77 WeakPolarHBondContact OG-CE1 3.37Å; S58-Y77 PolarHBondContact OG-OH 3.28Å; L69-Y77 HydrophobicContact CD2-CE2 4.26Å; S73-Y77 WeakPolarHBondContact O-CD2 3.43Å; S73-Y77 PolarHBondContact O-N 3.05Å; S73-Y77 WeakPolarHBondContact OG-CE2 3.48Å; L74-Y77 PolarHBondContact O-N 2.93Å; F75-Y77 VanDerWaalsContact C-N 3.35Å; F75-Y77 PolarHBondContact O-N 3.47Å; Y77-C79 VanDerWaalsContact C-N 3.29Å; Y77-C79 PolarHBondContact O-N 2.94Å; Y77-Q80 PolarHBondContact O-N 3.26Å; Y77-I81 WeakPolarHBondContact O-CB 3.29Å; Y77-I81 VanDerWaalsContact O-CG1 3.26Å; Y77-I81 WeakPolarHBondContact O-CG1 3.43Å; Y77-I81 PolarHBondContact O-N 3.11Å |
| 78 | L | 85.7 | Confident | 82.9 | Confident | 87 Ų | 87 | 65.2 Ų | 65.2 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 175.6 | -71.9 | 172.5 | 0 | 0 | 0 | 111.6 | L74 F75 Y76 S82 L114 | L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 3.38Å; F75-L78 PolarHBondContact O-N 3.41Å; Y76-L78 PolarHBondContact O-N 3.47Å; L78-S82 WeakPolarHBondContact O-CB 3.24Å; L78-S82 PolarHBondContact O-N 3.49Å; L78-S82 PolarHBondContact O-OG 3.46Å; L78-L114 HydrophobicContact CB-CD1 4.02Å |
| 79 | C | 86.2 | Confident | 84.4 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 174.4 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | F75 Y76 Y77 I81 S82 I83 L111 | F75-C79 PolarHBondContact O-N 3.21Å; F75-C79 PolarHBondContact O-SG 2.88Å; F75-C79 VanDerWaalsContact O-SG 3.42Å; Y76-C79 WeakPolarHBondContact O-CB 3.45Å; Y76-C79 PolarHBondContact O-N 3.49Å; Y77-C79 VanDerWaalsContact C-N 3.29Å; Y77-C79 PolarHBondContact O-N 2.94Å; C79-I81 PolarHBondContact O-N 3.43Å; C79-S82 PolarHBondContact O-N 3.4Å; C79-I83 WeakPolarHBondContact O-CG1 3.49Å; C79-I83 PolarHBondContact O-N 2.93Å; C79-L111 HydrophobicContact CB-CD2 3.93Å |
| 80 | Q | 86.7 | Confident | 86 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 179.2 | -65.8 | -57 | -30.4 | 0 | 0 | 112.5 | V54 F55 Y76 Y77 S82 I83 L84 | V54-Q80 HydrophobicContact CG1-CG 3.97Å; F55-Q80 HydrophobicContact CE1-CB 4Å; F55-Q80 HydrophobicContact CE2-CB 3.77Å; F55-Q80 HydrophobicContact CZ-CB 3.4Å; Y76-Q80 HydrophobicContact CD1-CG 4.03Å; Y76-Q80 HydrophobicContact CE1-CG 3.68Å; Y76-Q80 HydrophobicContact CE2-CG 4.49Å; Y76-Q80 WeakPolarHBondContact O-CG 3.47Å; Y76-Q80 PolarHBondContact O-N 3.11Å; Y76-Q80 PolarHBondContact OH-NE2 3.38Å; Y77-Q80 PolarHBondContact O-N 3.26Å; Q80-S82 VanDerWaalsContact C-N 3.32Å; Q80-S82 PolarHBondContact O-N 3.02Å; Q80-I83 PolarHBondContact O-N 2.82Å; Q80-L84 WeakPolarHBondContact O-CB 3.25Å; Q80-L84 PolarHBondContact O-N 3.39Å |
| 81 | I | 89.3 | Confident | 87 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 177.2 | -70.4 | 169.2 | 0 | 0 | 0 | 109.7 | F55 Y77 C79 I83 L84 T85 | F55-I81 HydrophobicContact CE1-CG1 3.98Å; F55-I81 HydrophobicContact CZ-CG1 3.74Å; Y77-I81 WeakPolarHBondContact O-CB 3.29Å; Y77-I81 VanDerWaalsContact O-CG1 3.26Å; Y77-I81 WeakPolarHBondContact O-CG1 3.43Å; Y77-I81 PolarHBondContact O-N 3.11Å; C79-I81 PolarHBondContact O-N 3.43Å; I81-I83 PolarHBondContact O-N 3.18Å; I81-L84 WeakPolarHBondContact O-CB 3.49Å; I81-L84 PolarHBondContact O-N 3.42Å; I81-T85 PolarHBondContact O-N 3.48Å; I81-T85 PolarHBondContact O-OG1 2.98Å |
| 82 | S | 91.3 | Very high | 87.9 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.5 | -40.1 | -179.5 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | L78 C79 Q80 T85 F86 P107 L111 | L78-S82 WeakPolarHBondContact O-CB 3.24Å; L78-S82 PolarHBondContact O-N 3.49Å; L78-S82 PolarHBondContact O-OG 3.46Å; C79-S82 PolarHBondContact O-N 3.4Å; Q80-S82 VanDerWaalsContact C-N 3.32Å; Q80-S82 PolarHBondContact O-N 3.02Å; S82-T85 PolarHBondContact O-N 3.03Å; S82-F86 PolarHBondContact O-N 3.21Å; S82-P107 WeakPolarHBondContact O-CB 3.32Å; S82-L111 VanDerWaalsContact CB-CG 3.49Å |
| 83 | I | 90.7 | Very high | 88.8 | Confident | 58 Ų | 58 | 42.2 Ų | 42.2 | 30% | 0.297 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 173.9 | -66.6 | 167.8 | 0 | 0 | 0 | 110.7 | C79 Q80 I81 F86 Q87 L111 | C79-I83 WeakPolarHBondContact O-CG1 3.49Å; C79-I83 PolarHBondContact O-N 2.93Å; Q80-I83 PolarHBondContact O-N 2.82Å; I81-I83 PolarHBondContact O-N 3.18Å; I83-F86 PolarHBondContact O-N 3.37Å; I83-Q87 WeakPolarHBondContact O-CG 3.4Å; I83-Q87 PolarHBondContact O-N 3.4Å; I83-Q87 VanDerWaalsContact O-N 3.11Å; I83-L111 HydrophobicContact CG1-CD1 3.79Å |
| 84 | L | 91.8 | Very high | 89.6 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 178.1 | -172.6 | 70.4 | 0 | 0 | 0 | 111.7 | W48 N51 F55 Q80 I81 F86 Q87 I88 | W48-L84 HydrophobicContact CE3-CD1 3.72Å; W48-L84 HydrophobicContact CH2-CD1 4.26Å; W48-L84 HydrophobicContact CZ3-CD1 3.48Å; W48-L84 VanDerWaalsContact CZ3-CD1 3.48Å; W48-L84 HydrophobicContact CZ3-CG 4.38Å; N51-L84 HydrophobicContact CB-CD1 4.09Å; F55-L84 HydrophobicContact CE2-CD2 4.2Å; Q80-L84 WeakPolarHBondContact O-CB 3.25Å; Q80-L84 PolarHBondContact O-N 3.39Å; I81-L84 WeakPolarHBondContact O-CB 3.49Å; I81-L84 PolarHBondContact O-N 3.42Å; L84-F86 VanDerWaalsContact C-N 3.32Å; L84-F86 PolarHBondContact O-N 3.46Å; L84-Q87 PolarHBondContact O-N 3.24Å; L84-I88 HydrophobicContact CG-CD1 4.21Å; L84-I88 WeakPolarHBondContact O-CG1 3.34Å; L84-I88 PolarHBondContact O-N 2.95Å |
| 85 | T | 93.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 27% | 0.27 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 177.3 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | I81 S82 Q87 I88 F89 P107 | I81-T85 PolarHBondContact O-N 3.48Å; I81-T85 PolarHBondContact O-OG1 2.98Å; S82-T85 PolarHBondContact O-N 3.03Å; T85-Q87 VanDerWaalsContact C-N 3.35Å; T85-Q87 PolarHBondContact O-N 3.03Å; T85-I88 PolarHBondContact O-N 3.42Å; T85-F89 HydrophobicContact CG2-CD2 4.26Å; T85-F89 HydrophobicContact CG2-CE1 4.18Å; T85-F89 HydrophobicContact CG2-CE2 3.85Å; T85-F89 HydrophobicContact CG2-CZ 3.81Å; T85-F89 WeakPolarHBondContact O-CG 3.35Å; T85-F89 PolarHBondContact O-N 3.22Å; T85-P107 HydrophobicContact CG2-CB 4.31Å; T85-P107 HydrophobicContact CG2-CG 3.6Å |
| 86 | F | 94.5 | Very high | 90.5 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 174.4 | 171.3 | -105.3 | 0 | 0 | 0 | 111.7 | S82 I83 L84 I88 F89 L90 V104 F105 P107 I108 | S82-F86 PolarHBondContact O-N 3.21Å; I83-F86 PolarHBondContact O-N 3.37Å; L84-F86 VanDerWaalsContact C-N 3.32Å; L84-F86 PolarHBondContact O-N 3.46Å; F86-I88 VanDerWaalsContact C-N 3.34Å; F86-I88 PolarHBondContact O-N 2.89Å; F86-F89 PolarHBondContact O-N 2.86Å; F86-L90 HydrophobicContact CE1-CD2 4.02Å; F86-L90 HydrophobicContact CZ-CD2 4.11Å; F86-L90 WeakPolarHBondContact O-CB 3.25Å; F86-L90 PolarHBondContact O-N 3.24Å; F86-V104 HydrophobicContact CD2-CG1 4.29Å; F86-V104 VanDerWaalsContact CD2-O 3.3Å; F86-V104 WeakPolarHBondContact CD2-O 3.42Å; F86-V104 HydrophobicContact CE2-CG1 3.98Å; F86-F105 HydrophobicContact CE2-CD1 4.27Å; F86-F105 HydrophobicContact CE2-CE1 4.3Å; F86-P107 HydrophobicContact CB-CB 4.13Å; F86-P107 HydrophobicContact CB-CG 4.38Å; F86-I108 HydrophobicContact CB-CG1 4.23Å; F86-I108 HydrophobicContact CD1-CD1 4.04Å; F86-I108 HydrophobicContact CD1-CG1 4.48Å; F86-I108 HydrophobicContact CD2-CD1 3.36Å; F86-I108 HydrophobicContact CD2-CG1 3.62Å; F86-I108 HydrophobicContact CE1-CD1 3.98Å; F86-I108 HydrophobicContact CE2-CD1 3.29Å; F86-I108 HydrophobicContact CE2-CG1 4.09Å; F86-I108 HydrophobicContact CG-CD1 3.75Å; F86-I108 HydrophobicContact CG-CG1 3.84Å; F86-I108 HydrophobicContact CZ-CD1 3.62Å |
| 87 | Q | 93 | Very high | 91 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 179.1 | -69.9 | 173.6 | 4 | 0 | 0 | 112.4 | N51 I83 L84 T85 L90 C91 | N51-Q87 PolarHBondContact ND2-OE1 3.25Å; I83-Q87 WeakPolarHBondContact O-CG 3.4Å; I83-Q87 PolarHBondContact O-N 3.4Å; I83-Q87 VanDerWaalsContact O-N 3.11Å; L84-Q87 PolarHBondContact O-N 3.24Å; T85-Q87 VanDerWaalsContact C-N 3.35Å; T85-Q87 PolarHBondContact O-N 3.03Å; Q87-L90 PolarHBondContact O-N 3.4Å; Q87-C91 PolarHBondContact O-N 3.42Å; Q87-C91 PolarHBondContact O-SG 3Å |
| 88 | I | 94 | Very high | 91.4 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 174.8 | -70.2 | 161.2 | 0 | 0 | 0 | 110.6 | W48 L84 T85 F86 L90 C91 I92 | W48-I88 HydrophobicContact CH2-CD1 4.08Å; W48-I88 HydrophobicContact CH2-CG1 3.39Å; W48-I88 HydrophobicContact CZ2-CG1 4Å; W48-I88 HydrophobicContact CZ3-CG1 4.34Å; L84-I88 HydrophobicContact CG-CD1 4.21Å; L84-I88 WeakPolarHBondContact O-CG1 3.34Å; L84-I88 PolarHBondContact O-N 2.95Å; T85-I88 PolarHBondContact O-N 3.42Å; F86-I88 VanDerWaalsContact C-N 3.34Å; F86-I88 PolarHBondContact O-N 2.89Å; I88-L90 VanDerWaalsContact C-N 3.29Å; I88-L90 PolarHBondContact O-N 3.34Å; I88-C91 PolarHBondContact O-N 3.28Å; I88-I92 HydrophobicContact CG2-CD1 3.85Å; I88-I92 WeakPolarHBondContact O-CG1 3.29Å; I88-I92 PolarHBondContact O-N 2.96Å |
| 89 | F | 95.2 | Very high | 91.7 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 179.7 | -70.8 | -9.3 | 0 | 0 | 0 | 112 | T85 F86 I92 K93 L99 V104 P107 | T85-F89 HydrophobicContact CG2-CD2 4.26Å; T85-F89 HydrophobicContact CG2-CE1 4.18Å; T85-F89 HydrophobicContact CG2-CE2 3.85Å; T85-F89 HydrophobicContact CG2-CZ 3.81Å; T85-F89 WeakPolarHBondContact O-CG 3.35Å; T85-F89 PolarHBondContact O-N 3.22Å; F86-F89 PolarHBondContact O-N 2.86Å; F89-I92 PolarHBondContact O-N 3.01Å; F89-K93 WeakPolarHBondContact O-CB 3.34Å; F89-K93 PolarHBondContact O-N 3.36Å; F89-L99 HydrophobicContact CD1-CD1 4.44Å; F89-V104 HydrophobicContact CB-CB 4.3Å; F89-V104 HydrophobicContact CB-CG1 4.06Å; F89-V104 HydrophobicContact CB-CG2 4.29Å; F89-P107 HydrophobicContact CD2-CG 3.85Å; F89-P107 HydrophobicContact CE2-CG 3.93Å |
| 90 | L | 94 | Very high | 92.1 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.9 | -172.7 | 62.5 | 0 | 0 | 0 | 111.6 | F44 F86 Q87 I88 K93 L94 W101 V104 | F44-L90 HydrophobicContact CE1-CD2 3.74Å; F44-L90 HydrophobicContact CE2-CD2 3.95Å; F44-L90 HydrophobicContact CE2-CG 4.13Å; F44-L90 HydrophobicContact CZ-CD2 3.26Å; F44-L90 HydrophobicContact CZ-CG 3.88Å; F86-L90 HydrophobicContact CE1-CD2 4.02Å; F86-L90 HydrophobicContact CZ-CD2 4.11Å; F86-L90 WeakPolarHBondContact O-CB 3.25Å; F86-L90 PolarHBondContact O-N 3.24Å; Q87-L90 PolarHBondContact O-N 3.4Å; I88-L90 VanDerWaalsContact C-N 3.29Å; I88-L90 PolarHBondContact O-N 3.34Å; L90-K93 PolarHBondContact O-N 2.9Å; L90-L94 HydrophobicContact CD1-CD1 4.33Å; L90-L94 HydrophobicContact CD1-CG 4.48Å; L90-L94 HydrophobicContact CG-CD1 4.09Å; L90-L94 WeakPolarHBondContact O-CB 3.46Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.13Å; L90-W101 HydrophobicContact CD1-CZ3 3.89Å; L90-V104 HydrophobicContact CB-CG1 4.23Å; L90-V104 HydrophobicContact CD1-CG1 4.32Å |
| 91 | C | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 174.7 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | A40 W41 F44 Q87 I88 K93 L94 E95 | A40-C91 HydrophobicContact CB-CB 4.43Å; W41-C91 HydrophobicContact CD2-CB 4.15Å; W41-C91 HydrophobicContact CE3-CB 4.39Å; W41-C91 HydrophobicContact CZ2-CB 4.27Å; F44-C91 VanDerWaalsContact CD2-SG 3.53Å; Q87-C91 PolarHBondContact O-N 3.42Å; Q87-C91 PolarHBondContact O-SG 3Å; I88-C91 PolarHBondContact O-N 3.28Å; C91-K93 VanDerWaalsContact C-N 3.33Å; C91-K93 PolarHBondContact O-N 2.74Å; C91-L94 PolarHBondContact O-N 3.33Å; C91-E95 WeakPolarHBondContact O-CB 3.14Å; C91-E95 PolarHBondContact O-N 2.94Å |
| 92 | I | 94.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 178.4 | -66.5 | 167.5 | 0 | 0 | 0 | 110.9 | I88 F89 K96 L99 | I88-I92 HydrophobicContact CG2-CD1 3.85Å; I88-I92 WeakPolarHBondContact O-CG1 3.29Å; I88-I92 PolarHBondContact O-N 2.96Å; F89-I92 PolarHBondContact O-N 3.01Å; I92-K96 PolarHBondContact O-N 2.89Å; I92-L99 HydrophobicContact CB-CD1 4.29Å; I92-L99 HydrophobicContact CG2-CD1 3.85Å; I92-L99 HydrophobicContact CG2-CG 4.17Å |
| 93 | K | 93.4 | Very high | 92.9 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -46.7 | 176.8 | 177.6 | 60.5 | 169.2 | 174.6 | 0 | 111.8 | F89 L90 C91 E95 N97 L99 W101 V104 | F89-K93 WeakPolarHBondContact O-CB 3.34Å; F89-K93 PolarHBondContact O-N 3.36Å; L90-K93 PolarHBondContact O-N 2.9Å; C91-K93 VanDerWaalsContact C-N 3.33Å; C91-K93 PolarHBondContact O-N 2.74Å; K93-E95 VanDerWaalsContact C-N 3.32Å; K93-E95 PolarHBondContact O-N 2.64Å; K93-N97 WeakPolarHBondContact CE-OD1 3.03Å; K93-N97 PolarHBondContact NZ-OD1 2.91Å; K93-N97 WeakPolarHBondContact O-CA 3.41Å; K93-N97 PolarHBondContact O-N 3.45Å; K93-L99 WeakPolarHBondContact CD-O 3.35Å; K93-L99 VanDerWaalsContact CE-O 3.23Å; K93-L99 WeakPolarHBondContact CE-O 3.38Å; K93-L99 PolarHBondContact NZ-O 3.06Å; K93-W101 HydrophobicContact CG-CD2 4.33Å; K93-W101 HydrophobicContact CG-CE3 4.21Å; K93-W101 HydrophobicContact CG-CH2 3.96Å; K93-W101 HydrophobicContact CG-CZ2 4.09Å; K93-W101 HydrophobicContact CG-CZ3 4.02Å; K93-V104 HydrophobicContact CB-CG2 3.77Å; K93-V104 HydrophobicContact CG-CG2 4.11Å |
| 94 | L | 91.4 | Very high | 93.1 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 38% | 0.382 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.7 | -28.8 | -177.9 | -71.8 | 171.5 | 0 | 0 | 0 | 113.3 | A40 F44 L90 C91 | A40-L94 HydrophobicContact CB-CB 3.76Å; A40-L94 HydrophobicContact CB-CD1 4.31Å; F44-L94 HydrophobicContact CE2-CD1 3.84Å; F44-L94 HydrophobicContact CZ-CD1 4.19Å; L90-L94 HydrophobicContact CD1-CD1 4.33Å; L90-L94 HydrophobicContact CD1-CG 4.48Å; L90-L94 HydrophobicContact CG-CD1 4.09Å; L90-L94 WeakPolarHBondContact O-CB 3.46Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.13Å; C91-L94 PolarHBondContact O-N 3.33Å |
| 95 | E | 89.9 | Confident | 93.3 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -91.9 | -47.5 | -177.2 | -162.7 | 73.5 | -165.9 | 0 | 0 | 112.7 | A40 C91 K93 | A40-E95 PolarHBondContact N-OE2 3.3Å; C91-E95 WeakPolarHBondContact O-CB 3.14Å; C91-E95 PolarHBondContact O-N 2.94Å; K93-E95 VanDerWaalsContact C-N 3.32Å; K93-E95 PolarHBondContact O-N 2.64Å |
| 96 | K | 90.6 | Very high | 93.4 | Very high | 163 Ų | 163 | 55.3 Ų | 55.3 | 71% | 0.709 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -106.4 | -12.3 | -172.2 | -62.6 | -175.8 | 178.7 | -177.9 | 0 | 113.4 | I92 A98 | I92-K96 PolarHBondContact O-N 2.89Å; K96-A98 HydrophobicContact CB-CB 4.02Å; K96-A98 PolarHBondContact O-N 3.23Å |
| 97 | N | 89.7 | Confident | 93.5 | Very high | 114 Ų | 114 | 53.8 Ų | 53.8 | 61% | 0.61 | 27% | 0.271 | S | S | * | . | trans | 47.4 | 28.2 | -171.6 | -161 | 25.8 | 0 | 0 | 0 | 114.2 | K93 | K93-N97 WeakPolarHBondContact CE-OD1 3.03Å; K93-N97 PolarHBondContact NZ-OD1 2.91Å; K93-N97 WeakPolarHBondContact O-CA 3.41Å; K93-N97 PolarHBondContact O-N 3.45Å | ||
| 98 | A | 90.2 | Very high | 93.5 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | trans | -86.8 | -13.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K96 | K96-A98 HydrophobicContact CB-CB 4.02Å; K96-A98 PolarHBondContact O-N 3.23Å | ||
| 99 | L | 93.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -113.6 | 152.9 | -176.7 | -60.5 | 176.6 | 0 | 0 | 0 | 110 | F89 I92 K93 V104 | F89-L99 HydrophobicContact CD1-CD1 4.44Å; I92-L99 HydrophobicContact CB-CD1 4.29Å; I92-L99 HydrophobicContact CG2-CD1 3.85Å; I92-L99 HydrophobicContact CG2-CG 4.17Å; K93-L99 WeakPolarHBondContact CD-O 3.35Å; K93-L99 VanDerWaalsContact CE-O 3.23Å; K93-L99 WeakPolarHBondContact CE-O 3.38Å; K93-L99 PolarHBondContact NZ-O 3.06Å; L99-V104 HydrophobicContact CB-CG2 4.33Å |
| 100 | N | 94.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | trans | -80.9 | 154.2 | 167.8 | -65.1 | -26.8 | 0 | 0 | 0 | 110.1 | Y102 V103 V104 | N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 HydrophobicContact CB-CD1 3.55Å; N100-Y102 HydrophobicContact CB-CE1 3.19Å; N100-Y102 HydrophobicContact CB-CG 4.43Å; N100-Y102 VanDerWaalsContact ND2-CE1 3.31Å; N100-Y102 WeakPolarHBondContact ND2-CE1 3.29Å; N100-Y102 PolarHBondContact ND2-OH 2.95Å; N100-Y102 PolarHBondContact O-N 2.9Å; N100-V103 HydrophobicContact CB-CG2 4.5Å; N100-V103 WeakPolarHBondContact O-CB 3.46Å; N100-V103 PolarHBondContact O-N 3.23Å; N100-V103 VanDerWaalsContact O-N 3.12Å; N100-V104 PolarHBondContact O-N 3.47Å | ||
| 101 | W | 95.5 | Very high | 93.3 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 20% | 0.197 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | -178.8 | -68 | 102.8 | 0 | 0 | 0 | 112 | L90 K93 V103 V104 F105 L149 D150 | L90-W101 HydrophobicContact CD1-CZ3 3.89Å; K93-W101 HydrophobicContact CG-CD2 4.33Å; K93-W101 HydrophobicContact CG-CE3 4.21Å; K93-W101 HydrophobicContact CG-CH2 3.96Å; K93-W101 HydrophobicContact CG-CZ2 4.09Å; K93-W101 HydrophobicContact CG-CZ3 4.02Å; W101-V103 PolarHBondContact O-N 3.18Å; W101-V103 VanDerWaalsContact O-N 3.12Å; W101-V104 WeakPolarHBondContact O-CA 3.19Å; W101-V104 WeakPolarHBondContact O-CB 3.4Å; W101-V104 PolarHBondContact O-N 3.1Å; W101-F105 HydrophobicContact CB-CD2 4.43Å; W101-F105 HydrophobicContact CE3-CE2 4.14Å; W101-F105 VanDerWaalsContact O-CD2 3.25Å; W101-F105 WeakPolarHBondContact O-CD2 3.48Å; W101-F105 PolarHBondContact O-N 2.99Å; W101-L149 HydrophobicContact CB-CB 3.87Å; W101-L149 VanDerWaalsContact CD1-CB 3.45Å; W101-L149 HydrophobicContact CD2-CB 3.83Å; W101-L149 HydrophobicContact CD2-CD1 3.96Å; W101-L149 HydrophobicContact CD2-CG 4.4Å; W101-L149 HydrophobicContact CE3-CD1 3.94Å; W101-L149 HydrophobicContact CG-CB 3.45Å; W101-L149 VanDerWaalsContact CG-CB 3.45Å; W101-L149 HydrophobicContact CG-CD1 4.28Å; W101-L149 HydrophobicContact CG-CG 4.45Å; W101-L149 HydrophobicContact CZ3-CD1 4.4Å; W101-L149 PolarHBondContact NE1-O 3.41Å; W101-D150 WeakPolarHBondContact CA-OD2 3.39Å; W101-D150 WeakPolarHBondContact CB-OD1 3.42Å; W101-D150 WeakPolarHBondContact CB-OD2 3.28Å; W101-D150 VanDerWaalsContact N-CG 3.3Å; W101-D150 PolarHBondContact N-OD1 3.29Å; W101-D150 PolarHBondContact N-OD2 2.96Å; W101-D150 VanDerWaalsContact N-OD2 3.1Å |
| 102 | Y | 93.2 | Very high | 93.3 | Very high | 92 Ų | 92 | 54.2 Ų | 54.2 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.1 | -33.4 | 176 | 70.8 | -98.7 | 0 | 0 | 0 | 113 | N100 F105 I106 D150 Y152 | N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 HydrophobicContact CB-CD1 3.55Å; N100-Y102 HydrophobicContact CB-CE1 3.19Å; N100-Y102 HydrophobicContact CB-CG 4.43Å; N100-Y102 VanDerWaalsContact ND2-CE1 3.31Å; N100-Y102 WeakPolarHBondContact ND2-CE1 3.29Å; N100-Y102 PolarHBondContact ND2-OH 2.95Å; N100-Y102 PolarHBondContact O-N 2.9Å; Y102-F105 PolarHBondContact O-N 3.16Å; Y102-I106 WeakPolarHBondContact O-CG1 3.15Å; Y102-I106 PolarHBondContact O-N 3.27Å; Y102-D150 WeakPolarHBondContact CD1-OD2 3.38Å; Y102-D150 PolarHBondContact N-OD2 3.33Å; Y102-Y152 HydrophobicContact CD1-CE2 4.17Å; Y102-Y152 HydrophobicContact CE1-CE2 4.41Å |
| 103 | V | 95.1 | Very high | 93.1 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.5 | -43.4 | 175 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | N100 W101 F105 I106 | N100-V103 HydrophobicContact CB-CG2 4.5Å; N100-V103 WeakPolarHBondContact O-CB 3.46Å; N100-V103 PolarHBondContact O-N 3.23Å; N100-V103 VanDerWaalsContact O-N 3.12Å; W101-V103 PolarHBondContact O-N 3.18Å; W101-V103 VanDerWaalsContact O-N 3.12Å; V103-F105 PolarHBondContact O-N 3.3Å; V103-I106 HydrophobicContact CB-CD1 4.38Å; V103-I106 HydrophobicContact CG1-CD1 4.12Å; V103-I106 WeakPolarHBondContact O-CB 3.26Å; V103-I106 WeakPolarHBondContact O-CG1 3.4Å; V103-I106 PolarHBondContact O-N 3.01Å; V103-I106 VanDerWaalsContact O-N 3.16Å |
| 104 | V | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | F86 F89 L90 K93 L99 N100 W101 P107 | F86-V104 HydrophobicContact CD2-CG1 4.29Å; F86-V104 VanDerWaalsContact CD2-O 3.3Å; F86-V104 WeakPolarHBondContact CD2-O 3.42Å; F86-V104 HydrophobicContact CE2-CG1 3.98Å; F89-V104 HydrophobicContact CB-CB 4.3Å; F89-V104 HydrophobicContact CB-CG1 4.06Å; F89-V104 HydrophobicContact CB-CG2 4.29Å; L90-V104 HydrophobicContact CB-CG1 4.23Å; L90-V104 HydrophobicContact CD1-CG1 4.32Å; K93-V104 HydrophobicContact CB-CG2 3.77Å; K93-V104 HydrophobicContact CG-CG2 4.11Å; L99-V104 HydrophobicContact CB-CG2 4.33Å; N100-V104 PolarHBondContact O-N 3.47Å; W101-V104 WeakPolarHBondContact O-CA 3.19Å; W101-V104 WeakPolarHBondContact O-CB 3.4Å; W101-V104 PolarHBondContact O-N 3.1Å; V104-P107 VanDerWaalsContact O-CD 3.26Å; V104-P107 WeakPolarHBondContact O-CD 3.18Å |
| 105 | F | 95.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 53 Ų | 53 | 10% | 0.101 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.8 | -179.8 | -79.3 | -85 | 0 | 0 | 0 | 115 | F86 W101 Y102 V103 P107 I108 Y109 V142 I145 A146 L149 | F86-F105 HydrophobicContact CE2-CD1 4.27Å; F86-F105 HydrophobicContact CE2-CE1 4.3Å; W101-F105 HydrophobicContact CB-CD2 4.43Å; W101-F105 HydrophobicContact CE3-CE2 4.14Å; W101-F105 VanDerWaalsContact O-CD2 3.25Å; W101-F105 WeakPolarHBondContact O-CD2 3.48Å; W101-F105 PolarHBondContact O-N 2.99Å; Y102-F105 PolarHBondContact O-N 3.16Å; V103-F105 PolarHBondContact O-N 3.3Å; F105-P107 VanDerWaalsContact C-CD 3.47Å; F105-I108 HydrophobicContact CD1-CD1 3.84Å; F105-I108 HydrophobicContact CE1-CD1 4.09Å; F105-I108 WeakPolarHBondContact O-CA 3.48Å; F105-I108 WeakPolarHBondContact O-CB 3.48Å; F105-I108 PolarHBondContact O-N 3.36Å; F105-Y109 HydrophobicContact CB-CE1 4.05Å; F105-Y109 HydrophobicContact CB-CE2 4.05Å; F105-Y109 PolarHBondContact O-N 3.37Å; F105-V142 HydrophobicContact CD1-CG1 3.51Å; F105-V142 HydrophobicContact CE1-CG1 4.09Å; F105-V142 HydrophobicContact CG-CG1 4.38Å; F105-I145 HydrophobicContact CE2-CG2 4.48Å; F105-I145 HydrophobicContact CZ-CG2 3.93Å; F105-A146 HydrophobicContact CB-CB 4.06Å; F105-A146 HydrophobicContact CD2-CB 3.5Å; F105-A146 HydrophobicContact CE2-CB 4.13Å; F105-A146 HydrophobicContact CG-CB 3.85Å; F105-L149 HydrophobicContact CE2-CD1 3.77Å; F105-L149 HydrophobicContact CZ-CD1 4.15Å |
| 106 | I | 95.1 | Very high | 92.4 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 40% | 0.395 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -49.6 | -48.1 | 179.1 | -68.6 | 172.6 | 0 | 0 | 0 | 113.1 | Y102 V103 I108 Y109 C110 | Y102-I106 WeakPolarHBondContact O-CG1 3.15Å; Y102-I106 PolarHBondContact O-N 3.27Å; V103-I106 HydrophobicContact CB-CD1 4.38Å; V103-I106 HydrophobicContact CG1-CD1 4.12Å; V103-I106 WeakPolarHBondContact O-CB 3.26Å; V103-I106 WeakPolarHBondContact O-CG1 3.4Å; V103-I106 PolarHBondContact O-N 3.01Å; V103-I106 VanDerWaalsContact O-N 3.16Å; I106-I108 PolarHBondContact O-N 3.42Å; I106-Y109 WeakPolarHBondContact O-CB 3.39Å; I106-Y109 PolarHBondContact O-N 2.8Å; I106-Y109 VanDerWaalsContact O-N 3.08Å; I106-C110 PolarHBondContact O-N 2.87Å |
| 107 | P | 95.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -29.9 | -179 | -20.2 | 34.1 | 0 | 0 | 0 | 112.8 | S82 T85 F86 F89 V104 F105 C110 L111 | S82-P107 WeakPolarHBondContact O-CB 3.32Å; T85-P107 HydrophobicContact CG2-CB 4.31Å; T85-P107 HydrophobicContact CG2-CG 3.6Å; F86-P107 HydrophobicContact CB-CB 4.13Å; F86-P107 HydrophobicContact CB-CG 4.38Å; F89-P107 HydrophobicContact CD2-CG 3.85Å; F89-P107 HydrophobicContact CE2-CG 3.93Å; V104-P107 VanDerWaalsContact O-CD 3.26Å; V104-P107 WeakPolarHBondContact O-CD 3.18Å; F105-P107 VanDerWaalsContact C-CD 3.47Å; P107-C110 WeakPolarHBondContact O-CB 3.49Å; P107-C110 PolarHBondContact O-N 3.45Å; P107-L111 WeakPolarHBondContact O-CG 3.47Å; P107-L111 PolarHBondContact O-N 2.9Å |
| 108 | I | 94.2 | Very high | 91.6 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 174.1 | -60.6 | -178.9 | 0 | 0 | 0 | 110.5 | F86 F105 I106 C110 L111 C112 L135 V142 | F86-I108 HydrophobicContact CB-CG1 4.23Å; F86-I108 HydrophobicContact CD1-CD1 4.04Å; F86-I108 HydrophobicContact CD1-CG1 4.48Å; F86-I108 HydrophobicContact CD2-CD1 3.36Å; F86-I108 HydrophobicContact CD2-CG1 3.62Å; F86-I108 HydrophobicContact CE1-CD1 3.98Å; F86-I108 HydrophobicContact CE2-CD1 3.29Å; F86-I108 HydrophobicContact CE2-CG1 4.09Å; F86-I108 HydrophobicContact CG-CD1 3.75Å; F86-I108 HydrophobicContact CG-CG1 3.84Å; F86-I108 HydrophobicContact CZ-CD1 3.62Å; F105-I108 HydrophobicContact CD1-CD1 3.84Å; F105-I108 HydrophobicContact CE1-CD1 4.09Å; F105-I108 WeakPolarHBondContact O-CA 3.48Å; F105-I108 WeakPolarHBondContact O-CB 3.48Å; F105-I108 PolarHBondContact O-N 3.36Å; I106-I108 PolarHBondContact O-N 3.42Å; I108-C110 VanDerWaalsContact C-N 3.29Å; I108-C110 PolarHBondContact O-N 3.3Å; I108-L111 WeakPolarHBondContact O-CA 3.35Å; I108-L111 WeakPolarHBondContact O-CB 3.16Å; I108-L111 PolarHBondContact O-N 3.09Å; I108-L111 VanDerWaalsContact O-N 3.09Å; I108-C112 PolarHBondContact O-N 3.44Å; I108-C112 PolarHBondContact O-SG 2.89Å; I108-L135 HydrophobicContact CG2-CD1 4.14Å; I108-V142 HydrophobicContact CB-CG1 4.25Å; I108-V142 HydrophobicContact CG2-CG1 3.66Å; I108-V142 HydrophobicContact CG2-CG2 4.12Å |
| 109 | Y | 94.3 | Very high | 91 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 20% | 0.204 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 173 | -54.7 | -34.6 | 0 | 0 | 0 | 111.6 | F105 I106 L111 C112 V113 L139 V142 I143 A146 | F105-Y109 HydrophobicContact CB-CE1 4.05Å; F105-Y109 HydrophobicContact CB-CE2 4.05Å; F105-Y109 PolarHBondContact O-N 3.37Å; I106-Y109 WeakPolarHBondContact O-CB 3.39Å; I106-Y109 PolarHBondContact O-N 2.8Å; I106-Y109 VanDerWaalsContact O-N 3.08Å; Y109-L111 VanDerWaalsContact C-N 3.33Å; Y109-L111 PolarHBondContact O-N 3.02Å; Y109-C112 PolarHBondContact O-N 3.49Å; Y109-V113 WeakPolarHBondContact O-CG2 3.27Å; Y109-V113 PolarHBondContact O-N 3.34Å; Y109-L139 HydrophobicContact CD1-CD1 4.05Å; Y109-V142 HydrophobicContact CD1-CG1 4.05Å; Y109-V142 HydrophobicContact CE1-CB 4.32Å; Y109-V142 HydrophobicContact CE1-CG1 3.66Å; Y109-I143 HydrophobicContact CD1-CG1 4.21Å; Y109-I143 HydrophobicContact CE1-CB 4.48Å; Y109-I143 HydrophobicContact CE1-CG1 3.66Å; Y109-A146 WeakPolarHBondContact OH-CB 3.34Å |
| 110 | C | 92.7 | Very high | 90.1 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 172.7 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | I106 P107 I108 C112 V113 L114 | I106-C110 PolarHBondContact O-N 2.87Å; P107-C110 WeakPolarHBondContact O-CB 3.49Å; P107-C110 PolarHBondContact O-N 3.45Å; I108-C110 VanDerWaalsContact C-N 3.29Å; I108-C110 PolarHBondContact O-N 3.3Å; C110-C112 PolarHBondContact O-N 3.26Å; C110-V113 PolarHBondContact O-N 2.85Å; C110-L114 WeakPolarHBondContact O-CB 3.48Å; C110-L114 VanDerWaalsContact O-CG 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.49Å; C110-L114 PolarHBondContact O-N 3.49Å |
| 111 | L | 92.4 | Very high | 88.8 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.8 | -73.1 | 169.8 | 0 | 0 | 0 | 112.7 | C79 S82 I83 P107 I108 Y109 L114 G115 L135 | C79-L111 HydrophobicContact CB-CD2 3.93Å; S82-L111 VanDerWaalsContact CB-CG 3.49Å; I83-L111 HydrophobicContact CG1-CD1 3.79Å; P107-L111 WeakPolarHBondContact O-CG 3.47Å; P107-L111 PolarHBondContact O-N 2.9Å; I108-L111 WeakPolarHBondContact O-CA 3.35Å; I108-L111 WeakPolarHBondContact O-CB 3.16Å; I108-L111 PolarHBondContact O-N 3.09Å; I108-L111 VanDerWaalsContact O-N 3.09Å; Y109-L111 VanDerWaalsContact C-N 3.33Å; Y109-L111 PolarHBondContact O-N 3.02Å; L111-L114 PolarHBondContact O-N 3.02Å; L111-G115 PolarHBondContact O-N 3.01Å; L111-L135 HydrophobicContact CB-CD2 3.68Å; L111-L135 HydrophobicContact CD1-CD2 4.33Å |
| 112 | C | 92.3 | Very high | 87 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | I108 Y109 C110 G115 F116 L135 L139 | I108-C112 PolarHBondContact O-N 3.44Å; I108-C112 PolarHBondContact O-SG 2.89Å; Y109-C112 PolarHBondContact O-N 3.49Å; C110-C112 PolarHBondContact O-N 3.26Å; C112-G115 PolarHBondContact O-N 3.43Å; C112-F116 PolarHBondContact O-N 2.81Å; C112-L135 PolarHBondContact SG-O 3.42Å; C112-L139 HydrophobicContact CB-CB 3.99Å; C112-L139 HydrophobicContact CB-CD1 3.68Å; C112-L139 HydrophobicContact CB-CD2 4.38Å; C112-L139 HydrophobicContact CB-CG 4.22Å |
| 113 | V | 90 | Very high | 85.1 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | Y109 C110 G115 F116 L117 | Y109-V113 WeakPolarHBondContact O-CG2 3.27Å; Y109-V113 PolarHBondContact O-N 3.34Å; C110-V113 PolarHBondContact O-N 2.85Å; V113-G115 VanDerWaalsContact C-N 3.33Å; V113-G115 PolarHBondContact O-N 3.41Å; V113-F116 PolarHBondContact O-N 3.29Å; V113-F116 VanDerWaalsContact O-N 3.17Å; V113-L117 HydrophobicContact CG1-CD1 4.44Å; V113-L117 WeakPolarHBondContact O-CG 3.29Å; V113-L117 PolarHBondContact O-N 3.02Å |
| 114 | L | 88.1 | Confident | 83 | Confident | 33 Ų | 33 | 59.7 Ų | 59.7 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 174.6 | -75 | 175.2 | 0 | 0 | 0 | 111.9 | F75 L78 C110 L111 F116 L117 T118 | F75-L114 HydrophobicContact CD2-CD2 4.49Å; F75-L114 HydrophobicContact CE2-CB 3.91Å; F75-L114 HydrophobicContact CE2-CD2 4.41Å; L78-L114 HydrophobicContact CB-CD1 4.02Å; C110-L114 WeakPolarHBondContact O-CB 3.48Å; C110-L114 VanDerWaalsContact O-CG 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.49Å; C110-L114 PolarHBondContact O-N 3.49Å; L111-L114 PolarHBondContact O-N 3.02Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-F116 PolarHBondContact O-N 3.44Å; L114-L117 PolarHBondContact O-N 3.04Å; L114-T118 PolarHBondContact O-N 2.79Å; L114-T118 VanDerWaalsContact O-N 3.08Å |
| 115 | G | 87.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L111 C112 V113 T118 F119 | L111-G115 PolarHBondContact O-N 3.01Å; C112-G115 PolarHBondContact O-N 3.43Å; V113-G115 VanDerWaalsContact C-N 3.33Å; V113-G115 PolarHBondContact O-N 3.41Å; G115-T118 PolarHBondContact O-N 3.46Å; G115-T118 PolarHBondContact O-OG1 3.46Å; G115-F119 WeakPolarHBondContact O-CB 3.26Å; G115-F119 PolarHBondContact O-N 2.88Å |
| 116 | F | 85.7 | Confident | 77.9 | Confident | 124 Ų | 124 | 73.4 Ų | 73.4 | 54% | 0.544 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 173.3 | -173.2 | -96 | 0 | 0 | 0 | 112.1 | C112 V113 L114 T118 F119 T120 | C112-F116 PolarHBondContact O-N 2.81Å; V113-F116 PolarHBondContact O-N 3.29Å; V113-F116 VanDerWaalsContact O-N 3.17Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-F116 PolarHBondContact O-N 3.44Å; F116-T118 VanDerWaalsContact C-N 3.32Å; F116-T118 PolarHBondContact O-N 3.12Å; F116-F119 WeakPolarHBondContact O-CB 3.27Å; F116-F119 PolarHBondContact O-N 3.3Å; F116-T120 HydrophobicContact CE1-CG2 4.11Å; F116-T120 HydrophobicContact CZ-CG2 4.41Å; F116-T120 PolarHBondContact O-N 3.12Å; F116-T120 VanDerWaalsContact O-N 3.16Å |
| 117 | L | 84.1 | Confident | 75.4 | Confident | 92 Ų | 92 | 74.6 Ų | 74.6 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.6 | -33.7 | 175.5 | -67.3 | 175.3 | 0 | 0 | 0 | 112.4 | V113 L114 T120 | V113-L117 HydrophobicContact CG1-CD1 4.44Å; V113-L117 WeakPolarHBondContact O-CG 3.29Å; V113-L117 PolarHBondContact O-N 3.02Å; L114-L117 PolarHBondContact O-N 3.04Å; L117-T120 PolarHBondContact O-OG1 3.07Å |
| 118 | T | 79.2 | Confident | 72.9 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 20% | 0.202 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -76.2 | -33.9 | 172.6 | 57 | 0 | 0 | 0 | 0 | 112.1 | F75 L114 G115 F116 T120 K121 A122 | F75-T118 HydrophobicContact CD2-CG2 4.03Å; F75-T118 HydrophobicContact CE1-CG2 3.92Å; F75-T118 HydrophobicContact CE2-CG2 3.33Å; F75-T118 HydrophobicContact CZ-CG2 3.29Å; L114-T118 PolarHBondContact O-N 2.79Å; L114-T118 VanDerWaalsContact O-N 3.08Å; G115-T118 PolarHBondContact O-N 3.46Å; G115-T118 PolarHBondContact O-OG1 3.46Å; F116-T118 VanDerWaalsContact C-N 3.32Å; F116-T118 PolarHBondContact O-N 3.12Å; T118-T120 VanDerWaalsContact C-N 3.33Å; T118-T120 PolarHBondContact O-N 3.5Å; T118-K121 PolarHBondContact O-N 3.19Å; T118-A122 WeakPolarHBondContact O-CB 3.28Å; T118-A122 PolarHBondContact O-N 3.34Å |
| 119 | F | 77.3 | Confident | 70.7 | Confident | 73 Ų | 73 | 83.9 Ų | 83.9 | 32% | 0.32 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.7 | -46.3 | 174.7 | -174.7 | -102.3 | 0 | 0 | 0 | 112.1 | G115 F116 K121 A122 F123 K133 | G115-F119 WeakPolarHBondContact O-CB 3.26Å; G115-F119 PolarHBondContact O-N 2.88Å; F116-F119 WeakPolarHBondContact O-CB 3.27Å; F116-F119 PolarHBondContact O-N 3.3Å; F119-K121 VanDerWaalsContact C-N 3.35Å; F119-K121 PolarHBondContact O-N 3.02Å; F119-A122 PolarHBondContact O-N 2.92Å; F119-F123 AromaticContact CD1-CE2 3.69Å; F119-F123 HydrophobicContact CD1-CE2 3.69Å; F119-F123 HydrophobicContact CD1-CZ 4.11Å; F119-F123 HydrophobicContact CE1-CE1 4.47Å; F119-F123 AromaticContact CE1-CE2 3.36Å; F119-F123 HydrophobicContact CE1-CE2 3.36Å; F119-F123 AromaticContact CE1-CZ 3.31Å; F119-F123 HydrophobicContact CE1-CZ 3.31Å; F119-F123 HydrophobicContact CE2-CZ 4.38Å; F119-F123 HydrophobicContact CG-CE2 4.48Å; F119-F123 HydrophobicContact CZ-CE1 4.27Å; F119-F123 AromaticContact CZ-CE2 3.92Å; F119-F123 HydrophobicContact CZ-CE2 3.92Å; F119-F123 AromaticContact CZ-CZ 3.47Å; F119-F123 HydrophobicContact CZ-CZ 3.47Å; F119-F123 VanDerWaalsContact CZ-CZ 3.47Å; F119-F123 VanDerWaalsContact O-CD2 3.24Å; F119-F123 WeakPolarHBondContact O-CD2 3.26Å; F119-F123 PolarHBondContact O-N 3.3Å; F119-K133 HydrophobicContact CD2-CD 4.32Å; F119-K133 HydrophobicContact CD2-CG 4.32Å |
| 120 | T | 73.8 | Confident | 69.4 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 178.2 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | F116 L117 T118 | F116-T120 HydrophobicContact CE1-CG2 4.11Å; F116-T120 HydrophobicContact CZ-CG2 4.41Å; F116-T120 PolarHBondContact O-N 3.12Å; F116-T120 VanDerWaalsContact O-N 3.16Å; L117-T120 PolarHBondContact O-OG1 3.07Å; T118-T120 VanDerWaalsContact C-N 3.33Å; T118-T120 PolarHBondContact O-N 3.5Å |
| 121 | K | 67.3 | Low | 68.2 | Low | 172 Ų | 172 | 88 Ų | 88 | 75% | 0.748 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -79.3 | -33.1 | 177 | -71.9 | -179.9 | 179.5 | 171.4 | 0 | 113.1 | T118 F119 F123 | T118-K121 PolarHBondContact O-N 3.19Å; F119-K121 VanDerWaalsContact C-N 3.35Å; F119-K121 PolarHBondContact O-N 3.02Å; K121-F123 VanDerWaalsContact C-N 3.34Å; K121-F123 PolarHBondContact O-N 2.95Å |
| 122 | A | 58.8 | Low | 67.5 | Low | 28 Ų | 28 | 90.3 Ų | 90.3 | 23% | 0.231 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -82.9 | -2.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | T118 F119 C124 E125 | T118-A122 WeakPolarHBondContact O-CB 3.28Å; T118-A122 PolarHBondContact O-N 3.34Å; F119-A122 PolarHBondContact O-N 2.92Å; A122-C124 PolarHBondContact O-N 2.94Å; A122-E125 CarbonylContact O-C 3.46Å; A122-E125 PolarHBondContact O-N 2.91Å |
| 123 | F | 53.2 | Low | 66.9 | Low | 160 Ų | 160 | 92.1 Ų | 92.1 | 70% | 0.702 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -21.1 | 167.8 | -83.8 | -74.4 | 0 | 0 | 0 | 112.6 | F119 K121 | F119-F123 AromaticContact CD1-CE2 3.69Å; F119-F123 HydrophobicContact CD1-CE2 3.69Å; F119-F123 HydrophobicContact CD1-CZ 4.11Å; F119-F123 HydrophobicContact CE1-CE1 4.47Å; F119-F123 AromaticContact CE1-CE2 3.36Å; F119-F123 HydrophobicContact CE1-CE2 3.36Å; F119-F123 AromaticContact CE1-CZ 3.31Å; F119-F123 HydrophobicContact CE1-CZ 3.31Å; F119-F123 HydrophobicContact CE2-CZ 4.38Å; F119-F123 HydrophobicContact CG-CE2 4.48Å; F119-F123 HydrophobicContact CZ-CE1 4.27Å; F119-F123 AromaticContact CZ-CE2 3.92Å; F119-F123 HydrophobicContact CZ-CE2 3.92Å; F119-F123 AromaticContact CZ-CZ 3.47Å; F119-F123 HydrophobicContact CZ-CZ 3.47Å; F119-F123 VanDerWaalsContact CZ-CZ 3.47Å; F119-F123 VanDerWaalsContact O-CD2 3.24Å; F119-F123 WeakPolarHBondContact O-CD2 3.26Å; F119-F123 PolarHBondContact O-N 3.3Å; K121-F123 VanDerWaalsContact C-N 3.34Å; K121-F123 PolarHBondContact O-N 2.95Å |
| 124 | C | 50.4 | Low | 66.6 | Low | 120 Ų | 120 | 91.8 Ų | 91.8 | 81% | 0.811 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -22 | 176.2 | -120.4 | 0 | 0 | 0 | 0 | 114.9 | A122 | A122-C124 PolarHBondContact O-N 2.94Š|
| 125 | E | 47.5 | Very low | 66.6 | Low | 142 Ų | 142 | 92.7 Ų | 92.7 | 66% | 0.664 | 48% | 0.48 | S | S | * | . | trans | -139.3 | 89.2 | -173.1 | -71.7 | -178.9 | -176.3 | 0 | 0 | 110 | A122 T127 | A122-E125 CarbonylContact O-C 3.46Å; A122-E125 PolarHBondContact O-N 2.91Å; E125-T127 PolarHBondContact O-N 3.05Å | ||
| 126 | L | 37.5 | Very low | 66.7 | Low | 169 Ų | 169 | 93.5 Ų | 93.5 | 89% | 0.885 | 49% | 0.487 | S | S | * | . | trans | -70.9 | 68 | 177 | -156.6 | 91.4 | 0 | 0 | 0 | 110.4 | ||||
| 127 | T | 42.7 | Very low | 66.9 | Low | 103 Ų | 103 | 92.3 Ų | 92.3 | 63% | 0.632 | 49% | 0.486 | S | S | * | . | trans | -104.8 | 145.8 | 176.4 | 54.5 | 0 | 0 | 0 | 0 | 112 | E125 Y129 | E125-T127 PolarHBondContact O-N 3.05Å; T127-Y129 PolarHBondContact O-N 3.2Å | ||
| 128 | V | 42.9 | Very low | 67.4 | Low | 108 Ų | 108 | 88.3 Ų | 88.3 | 66% | 0.655 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -56.1 | 121.5 | -169.5 | -177.8 | 0 | 0 | 0 | 0 | 111 | ||
| 129 | Y | 48.1 | Very low | 68.1 | Low | 118 Ų | 118 | 89.2 Ų | 89.2 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | trans | 159.1 | 78.7 | 140.4 | -76.9 | -53.3 | 0 | 0 | 0 | 110.1 | V10 K14 T127 C131 | V10-Y129 WeakPolarHBondContact CG1-OH 3.49Å; K14-Y129 VanDerWaalsContact CE-CE1 3.47Å; K14-Y129 VanDerWaalsContact NZ-CE1 3.29Å; K14-Y129 PolarHBondContact NZ-OH 3.45Å; T127-Y129 PolarHBondContact O-N 3.2Å; Y129-C131 VanDerWaalsContact C-N 3.27Å; Y129-C131 PolarHBondContact O-N 3.46Å; Y129-C131 VanDerWaalsContact O-N 3.12Å | ||
| 130 | D | 65.8 | Low | 68.9 | Low | 93 Ų | 93 | 88.7 Ų | 88.7 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 12.6 | -165.8 | -61.2 | -56.3 | 0 | 0 | 0 | 116.4 | E132 K133 F134 | D130-E132 VanDerWaalsContact C-N 3.33Å; D130-E132 PolarHBondContact O-N 3.46Å; D130-K133 PolarHBondContact O-N 2.91Å; D130-K133 WeakPolarHBondContact OD1-CD 3.02Å; D130-K133 IonicContact OD1-NZ 3.8Å; D130-K133 PolarHBondContact OD1-NZ 2.95Å; D130-F134 VanDerWaalsContact O-CB 3.26Å; D130-F134 WeakPolarHBondContact O-CB 3.21Å; D130-F134 PolarHBondContact O-N 3.44Å |
| 131 | C | 68.7 | Low | 69.9 | Low | 106 Ų | 106 | 85.6 Ų | 85.6 | 72% | 0.716 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.3 | -38.9 | 178.1 | -65.7 | 0 | 0 | 0 | 0 | 112 | Y129 F134 L135 | Y129-C131 VanDerWaalsContact C-N 3.27Å; Y129-C131 PolarHBondContact O-N 3.46Å; Y129-C131 VanDerWaalsContact O-N 3.12Å; C131-F134 PolarHBondContact O-N 2.91Å; C131-L135 WeakPolarHBondContact O-CB 3.44Å; C131-L135 PolarHBondContact O-N 2.85Å |
| 132 | E | 76.7 | Confident | 71.1 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 31% | 0.313 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | -179.4 | -65.3 | 171.2 | 178.6 | 0 | 0 | 111.7 | F75 D130 L135 A136 | F75-E132 VanDerWaalsContact CE1-CD 3.46Å; F75-E132 WeakPolarHBondContact CE1-OE1 3.44Å; F75-E132 WeakPolarHBondContact CE1-OE2 3.3Å; F75-E132 VanDerWaalsContact CZ-OE2 3.29Å; F75-E132 WeakPolarHBondContact CZ-OE2 3.36Å; D130-E132 VanDerWaalsContact C-N 3.33Å; D130-E132 PolarHBondContact O-N 3.46Å; E132-L135 PolarHBondContact O-N 3.02Å; E132-A136 WeakPolarHBondContact O-CB 3.37Å; E132-A136 PolarHBondContact O-N 3.27Å |
| 133 | K | 79.5 | Confident | 72.9 | Confident | 39 Ų | 39 | 80 Ų | 80 | 17% | 0.17 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 175 | -59.6 | 179.7 | -160.8 | 150.6 | 0 | 110.5 | F119 D130 L135 A136 L137 | F119-K133 HydrophobicContact CD2-CD 4.32Å; F119-K133 HydrophobicContact CD2-CG 4.32Å; D130-K133 PolarHBondContact O-N 2.91Å; D130-K133 WeakPolarHBondContact OD1-CD 3.02Å; D130-K133 IonicContact OD1-NZ 3.8Å; D130-K133 PolarHBondContact OD1-NZ 2.95Å; K133-L135 VanDerWaalsContact C-N 3.31Å; K133-L135 PolarHBondContact O-N 3.26Å; K133-A136 PolarHBondContact O-N 3.19Å; K133-L137 WeakPolarHBondContact O-CB 3.21Å; K133-L137 VanDerWaalsContact O-CG 3.29Å; K133-L137 WeakPolarHBondContact O-CG 3.45Å; K133-L137 PolarHBondContact O-N 3.42Å |
| 134 | F | 84.9 | Confident | 75 | Confident | 74 Ų | 74 | 74 Ų | 74 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.6 | -176.4 | -97.4 | 0 | 0 | 0 | 111.3 | D130 C131 N138 F164 I167 M168 | D130-F134 VanDerWaalsContact O-CB 3.26Å; D130-F134 WeakPolarHBondContact O-CB 3.21Å; D130-F134 PolarHBondContact O-N 3.44Å; C131-F134 PolarHBondContact O-N 2.91Å; F134-N138 VanDerWaalsContact CE1-ND2 3.28Å; F134-N138 WeakPolarHBondContact CE1-ND2 3.11Å; F134-N138 VanDerWaalsContact CZ-ND2 3.27Å; F134-N138 WeakPolarHBondContact CZ-ND2 3.21Å; F134-N138 WeakPolarHBondContact O-CB 3.44Å; F134-N138 PolarHBondContact O-N 3.3Å; F134-N138 VanDerWaalsContact O-N 3.08Å; F134-N138 PolarHBondContact O-ND2 3.4Å; F134-F164 HydrophobicContact CZ-CE2 4.14Å; F134-I167 HydrophobicContact CD2-CG2 4.09Å; F134-I167 HydrophobicContact CE2-CG2 3.7Å; F134-M168 HydrophobicContact CE2-SD 4.22Å; F134-M168 HydrophobicContact CZ-SD 4.14Å |
| 135 | L | 87.6 | Confident | 77.1 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.2 | -175.4 | 62.8 | 0 | 0 | 0 | 111.9 | I108 L111 C112 C131 E132 K133 L137 N138 L139 V142 | I108-L135 HydrophobicContact CG2-CD1 4.14Å; L111-L135 HydrophobicContact CB-CD2 3.68Å; L111-L135 HydrophobicContact CD1-CD2 4.33Å; C112-L135 PolarHBondContact SG-O 3.42Å; C131-L135 WeakPolarHBondContact O-CB 3.44Å; C131-L135 PolarHBondContact O-N 2.85Å; E132-L135 PolarHBondContact O-N 3.02Å; K133-L135 VanDerWaalsContact C-N 3.31Å; K133-L135 PolarHBondContact O-N 3.26Å; L135-L137 PolarHBondContact O-N 2.92Å; L135-N138 CarbonylContact O-C 3.47Å; L135-N138 PolarHBondContact O-N 2.87Å; L135-N138 VanDerWaalsContact O-N 3.11Å; L135-L139 PolarHBondContact O-N 3.35Å; L135-V142 HydrophobicContact CD1-CG2 4.45Å |
| 136 | A | 89.6 | Confident | 79.4 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E132 K133 N138 L139 | E132-A136 WeakPolarHBondContact O-CB 3.37Å; E132-A136 PolarHBondContact O-N 3.27Å; K133-A136 PolarHBondContact O-N 3.19Å; A136-N138 VanDerWaalsContact C-N 3.25Å; A136-N138 PolarHBondContact O-N 2.9Å; A136-L139 WeakPolarHBondContact O-CB 3.43Å; A136-L139 PolarHBondContact O-N 2.77Å |
| 137 | L | 90.3 | Very high | 82.2 | Confident | 99 Ų | 99 | 58 Ų | 58 | 52% | 0.518 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -32 | 175 | -68.9 | 172.8 | 0 | 0 | 0 | 112 | K133 L135 L139 P140 I167 | K133-L137 WeakPolarHBondContact O-CB 3.21Å; K133-L137 VanDerWaalsContact O-CG 3.29Å; K133-L137 WeakPolarHBondContact O-CG 3.45Å; K133-L137 PolarHBondContact O-N 3.42Å; L135-L137 PolarHBondContact O-N 2.92Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 3.4Å; L137-P140 WeakPolarHBondContact O-CD 3.35Å; L137-I167 HydrophobicContact CB-CD1 3.8Å; L137-I167 WeakPolarHBondContact O-CD1 3.21Å |
| 138 | N | 92.8 | Very high | 84.7 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 9.7 | 177.5 | -79 | -74.4 | 0 | 0 | 0 | 114.2 | F134 L135 A136 P140 C141 V142 I167 | F134-N138 VanDerWaalsContact CE1-ND2 3.28Å; F134-N138 WeakPolarHBondContact CE1-ND2 3.11Å; F134-N138 VanDerWaalsContact CZ-ND2 3.27Å; F134-N138 WeakPolarHBondContact CZ-ND2 3.21Å; F134-N138 WeakPolarHBondContact O-CB 3.44Å; F134-N138 PolarHBondContact O-N 3.3Å; F134-N138 VanDerWaalsContact O-N 3.08Å; F134-N138 PolarHBondContact O-ND2 3.4Å; L135-N138 CarbonylContact O-C 3.47Å; L135-N138 PolarHBondContact O-N 2.87Å; L135-N138 VanDerWaalsContact O-N 3.11Å; A136-N138 VanDerWaalsContact C-N 3.25Å; A136-N138 PolarHBondContact O-N 2.9Å; N138-P140 VanDerWaalsContact C-CD 3.49Å; N138-C141 HydrophobicContact CB-CB 4.36Å; N138-C141 WeakPolarHBondContact O-CA 3.46Å; N138-C141 VanDerWaalsContact O-CB 3.25Å; N138-C141 WeakPolarHBondContact O-CB 3.5Å; N138-C141 PolarHBondContact O-N 3.24Å; N138-V142 WeakPolarHBondContact O-CG2 3.43Å; N138-V142 PolarHBondContact O-N 2.92Å; N138-I167 WeakPolarHBondContact OD1-CD1 3.39Å |
| 139 | L | 94.1 | Very high | 87.1 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -51.1 | -46.1 | 176.8 | 174 | 61.8 | 0 | 0 | 0 | 113.5 | Y109 C112 L135 A136 L137 C141 V142 I143 | Y109-L139 HydrophobicContact CD1-CD1 4.05Å; C112-L139 HydrophobicContact CB-CB 3.99Å; C112-L139 HydrophobicContact CB-CD1 3.68Å; C112-L139 HydrophobicContact CB-CD2 4.38Å; C112-L139 HydrophobicContact CB-CG 4.22Å; L135-L139 PolarHBondContact O-N 3.35Å; A136-L139 WeakPolarHBondContact O-CB 3.43Å; A136-L139 PolarHBondContact O-N 2.77Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 3.4Å; L139-C141 VanDerWaalsContact C-N 3.26Å; L139-C141 PolarHBondContact O-N 3.02Å; L139-V142 PolarHBondContact O-N 3.08Å; L139-I143 HydrophobicContact CD1-CD1 3.86Å; L139-I143 HydrophobicContact CD1-CG1 4.1Å; L139-I143 HydrophobicContact CG-CD1 3.97Å; L139-I143 WeakPolarHBondContact O-CG1 3.39Å; L139-I143 PolarHBondContact O-N 2.93Å; L139-I143 VanDerWaalsContact O-N 3.09Å |
| 140 | P | 94.5 | Very high | 89.3 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 177.3 | -23.3 | 34.8 | 0 | 0 | 0 | 112.8 | L137 N138 I143 L144 P163 | L137-P140 WeakPolarHBondContact O-CD 3.35Å; N138-P140 VanDerWaalsContact C-CD 3.49Å; P140-I143 PolarHBondContact O-N 3.1Å; P140-L144 VanDerWaalsContact O-CG 3.29Å; P140-L144 WeakPolarHBondContact O-CG 3.34Å; P140-L144 PolarHBondContact O-N 3.4Å; P140-P163 HydrophobicContact CB-CB 4.13Å; P140-P163 HydrophobicContact CB-CG 3.98Å |
| 141 | C | 94.1 | Very high | 90.6 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 177 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | N138 L139 I143 L144 I145 L161 P163 F164 | N138-C141 HydrophobicContact CB-CB 4.36Å; N138-C141 WeakPolarHBondContact O-CA 3.46Å; N138-C141 VanDerWaalsContact O-CB 3.25Å; N138-C141 WeakPolarHBondContact O-CB 3.5Å; N138-C141 PolarHBondContact O-N 3.24Å; L139-C141 VanDerWaalsContact C-N 3.26Å; L139-C141 PolarHBondContact O-N 3.02Å; C141-I143 VanDerWaalsContact C-N 3.3Å; C141-I143 PolarHBondContact O-N 3.34Å; C141-L144 PolarHBondContact O-N 3.35Å; C141-I145 WeakPolarHBondContact O-CB 3.29Å; C141-I145 VanDerWaalsContact O-CG1 3.25Å; C141-I145 WeakPolarHBondContact O-CG1 3.35Å; C141-I145 PolarHBondContact O-N 3.37Å; C141-L161 WeakPolarHBondContact SG-CD2 3.3Å; C141-P163 HydrophobicContact CB-CB 4.28Å; C141-F164 HydrophobicContact CB-CB 4.43Å |
| 142 | V | 94.4 | Very high | 91.8 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | F105 I108 Y109 L135 N138 L139 I145 A146 | F105-V142 HydrophobicContact CD1-CG1 3.51Å; F105-V142 HydrophobicContact CE1-CG1 4.09Å; F105-V142 HydrophobicContact CG-CG1 4.38Å; I108-V142 HydrophobicContact CB-CG1 4.25Å; I108-V142 HydrophobicContact CG2-CG1 3.66Å; I108-V142 HydrophobicContact CG2-CG2 4.12Å; Y109-V142 HydrophobicContact CD1-CG1 4.05Å; Y109-V142 HydrophobicContact CE1-CB 4.32Å; Y109-V142 HydrophobicContact CE1-CG1 3.66Å; L135-V142 HydrophobicContact CD1-CG2 4.45Å; N138-V142 WeakPolarHBondContact O-CG2 3.43Å; N138-V142 PolarHBondContact O-N 2.92Å; L139-V142 PolarHBondContact O-N 3.08Å; V142-I145 PolarHBondContact O-N 3.47Å; V142-A146 PolarHBondContact O-N 3.34Å; V142-A146 VanDerWaalsContact O-N 3.1Å |
| 143 | I | 95.5 | Very high | 92.7 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 34% | 0.338 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -48.3 | 178.2 | -66 | 167.5 | 0 | 0 | 0 | 110.9 | Y109 L139 P140 C141 I145 A146 L147 | Y109-I143 HydrophobicContact CD1-CG1 4.21Å; Y109-I143 HydrophobicContact CE1-CB 4.48Å; Y109-I143 HydrophobicContact CE1-CG1 3.66Å; L139-I143 HydrophobicContact CD1-CD1 3.86Å; L139-I143 HydrophobicContact CD1-CG1 4.1Å; L139-I143 HydrophobicContact CG-CD1 3.97Å; L139-I143 WeakPolarHBondContact O-CG1 3.39Å; L139-I143 PolarHBondContact O-N 2.93Å; L139-I143 VanDerWaalsContact O-N 3.09Å; P140-I143 PolarHBondContact O-N 3.1Å; C141-I143 VanDerWaalsContact C-N 3.3Å; C141-I143 PolarHBondContact O-N 3.34Å; I143-I145 VanDerWaalsContact C-N 3.34Å; I143-I145 PolarHBondContact O-N 2.95Å; I143-A146 PolarHBondContact O-N 3.44Å; I143-L147 HydrophobicContact CG2-CD1 3.94Å; I143-L147 HydrophobicContact CG2-CG 4.43Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 2.85Å |
| 144 | L | 96.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | -179.4 | -68.7 | 173 | 0 | 0 | 0 | 112 | P140 C141 L147 R148 I153 W155 V160 P163 | P140-L144 VanDerWaalsContact O-CG 3.29Å; P140-L144 WeakPolarHBondContact O-CG 3.34Å; P140-L144 PolarHBondContact O-N 3.4Å; C141-L144 PolarHBondContact O-N 3.35Å; L144-L147 PolarHBondContact O-N 3.02Å; L144-R148 VanDerWaalsContact O-CB 3.29Å; L144-R148 WeakPolarHBondContact O-CB 3.42Å; L144-R148 PolarHBondContact O-N 3.4Å; L144-I153 HydrophobicContact CB-CD1 4.46Å; L144-I153 HydrophobicContact CD2-CD1 3.96Å; L144-W155 HydrophobicContact CD2-CZ3 4.31Å; L144-V160 HydrophobicContact CB-CG1 3.89Å; L144-V160 WeakPolarHBondContact CD1-O 3.19Å; L144-P163 HydrophobicContact CD1-CG 4.02Å |
| 145 | I | 95.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 174.6 | -70.4 | 165.5 | 0 | 0 | 0 | 110.5 | F105 C141 V142 I143 R148 L149 V160 L161 | F105-I145 HydrophobicContact CE2-CG2 4.48Å; F105-I145 HydrophobicContact CZ-CG2 3.93Å; C141-I145 WeakPolarHBondContact O-CB 3.29Å; C141-I145 VanDerWaalsContact O-CG1 3.25Å; C141-I145 WeakPolarHBondContact O-CG1 3.35Å; C141-I145 PolarHBondContact O-N 3.37Å; V142-I145 PolarHBondContact O-N 3.47Å; I143-I145 VanDerWaalsContact C-N 3.34Å; I143-I145 PolarHBondContact O-N 2.95Å; I145-R148 PolarHBondContact O-N 2.89Å; I145-L149 HydrophobicContact CG2-CD1 3.75Å; I145-L149 HydrophobicContact CG2-CG 4.36Å; I145-L149 WeakPolarHBondContact O-CB 3.48Å; I145-L149 VanDerWaalsContact O-CG 3.28Å; I145-L149 WeakPolarHBondContact O-CG 3.35Å; I145-L149 PolarHBondContact O-N 3.49Å; I145-V160 HydrophobicContact CG1-CG1 4.1Å; I145-L161 HydrophobicContact CD1-CD2 3.9Å; I145-L161 HydrophobicContact CG1-CD2 4.11Å |
| 146 | A | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F105 Y109 V142 I143 R148 L149 D150 | F105-A146 HydrophobicContact CB-CB 4.06Å; F105-A146 HydrophobicContact CD2-CB 3.5Å; F105-A146 HydrophobicContact CE2-CB 4.13Å; F105-A146 HydrophobicContact CG-CB 3.85Å; Y109-A146 WeakPolarHBondContact OH-CB 3.34Å; V142-A146 PolarHBondContact O-N 3.34Å; V142-A146 VanDerWaalsContact O-N 3.1Å; I143-A146 PolarHBondContact O-N 3.44Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 3.12Å; A146-L149 PolarHBondContact O-N 3.32Å; A146-D150 PolarHBondContact O-N 3.01Å; A146-D150 VanDerWaalsContact O-N 3.08Å |
| 147 | L | 95.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 58 Ų | 58 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 177.6 | -69.7 | 174.6 | 0 | 0 | 0 | 112.4 | I143 L144 D150 N151 Y152 I153 | I143-L147 HydrophobicContact CG2-CD1 3.94Å; I143-L147 HydrophobicContact CG2-CG 4.43Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 2.85Å; L144-L147 PolarHBondContact O-N 3.02Å; L147-D150 PolarHBondContact O-N 2.91Å; L147-N151 PolarHBondContact O-N 3.27Å; L147-Y152 HydrophobicContact CD2-CD2 3.92Å; L147-Y152 HydrophobicContact CD2-CG 4.25Å; L147-Y152 PolarHBondContact O-N 3.27Å; L147-I153 HydrophobicContact CB-CD1 4.07Å; L147-I153 HydrophobicContact CB-CG1 4.05Å |
| 148 | R | 95.2 | Very high | 94.8 | Very high | 41 Ų | 41 | 56.8 Ų | 56.8 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 176.7 | 179.8 | 57.1 | 173.4 | 149.6 | -7.4 | 111.5 | L144 I145 A146 D150 N151 I153 N154 W155 W157 V160 | L144-R148 VanDerWaalsContact O-CB 3.29Å; L144-R148 WeakPolarHBondContact O-CB 3.42Å; L144-R148 PolarHBondContact O-N 3.4Å; I145-R148 PolarHBondContact O-N 2.89Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 3.12Å; R148-D150 VanDerWaalsContact C-N 3.26Å; R148-D150 PolarHBondContact O-N 2.88Å; R148-N151 PolarHBondContact O-N 3.05Å; R148-I153 HydrophobicContact CB-CD1 4.19Å; R148-I153 HydrophobicContact CB-CG1 3.97Å; R148-I153 WeakPolarHBondContact CD-O 3.46Å; R148-I153 PolarHBondContact NH1-O 3.16Å; R148-N154 VanDerWaalsContact NH1-CA 3.32Å; R148-W155 PolarHBondContact NE-O 2.91Å; R148-W155 PolarHBondContact NH2-O 3.46Å; R148-W155 VanDerWaalsContact NH2-O 3.12Å; R148-W157 HydrophobicContact CB-CH2 4.18Å; R148-W157 HydrophobicContact CB-CZ3 4.15Å; R148-W157 HydrophobicContact CG-CD2 4.1Å; R148-W157 HydrophobicContact CG-CE3 3.97Å; R148-W157 HydrophobicContact CG-CH2 3.53Å; R148-W157 HydrophobicContact CG-CZ2 3.66Å; R148-W157 HydrophobicContact CG-CZ3 3.68Å; R148-V160 HydrophobicContact CB-CG1 4.29Å; R148-V160 HydrophobicContact CB-CG2 4.01Å; R148-V160 HydrophobicContact CG-CG2 4.04Å |
| 149 | L | 94 | Very high | 94.9 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.6 | -30.7 | 178.2 | -73.1 | 168.4 | 0 | 0 | 0 | 112.7 | W101 F105 I145 A146 N151 W157 | W101-L149 HydrophobicContact CB-CB 3.87Å; W101-L149 VanDerWaalsContact CD1-CB 3.45Å; W101-L149 HydrophobicContact CD2-CB 3.83Å; W101-L149 HydrophobicContact CD2-CD1 3.96Å; W101-L149 HydrophobicContact CD2-CG 4.4Å; W101-L149 HydrophobicContact CE3-CD1 3.94Å; W101-L149 HydrophobicContact CG-CB 3.45Å; W101-L149 VanDerWaalsContact CG-CB 3.45Å; W101-L149 HydrophobicContact CG-CD1 4.28Å; W101-L149 HydrophobicContact CG-CG 4.45Å; W101-L149 HydrophobicContact CZ3-CD1 4.4Å; W101-L149 PolarHBondContact NE1-O 3.41Å; F105-L149 HydrophobicContact CE2-CD1 3.77Å; F105-L149 HydrophobicContact CZ-CD1 4.15Å; I145-L149 HydrophobicContact CG2-CD1 3.75Å; I145-L149 HydrophobicContact CG2-CG 4.36Å; I145-L149 WeakPolarHBondContact O-CB 3.48Å; I145-L149 VanDerWaalsContact O-CG 3.28Å; I145-L149 WeakPolarHBondContact O-CG 3.35Å; I145-L149 PolarHBondContact O-N 3.49Å; A146-L149 PolarHBondContact O-N 3.32Å; L149-N151 VanDerWaalsContact C-N 3.28Å; L149-W157 HydrophobicContact CD2-CH2 3.81Å; L149-W157 HydrophobicContact CD2-CZ2 4.45Å; L149-W157 HydrophobicContact CG-CH2 4.03Å |
| 150 | D | 94.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.4 | 172.6 | -78.4 | -34.9 | 0 | 0 | 0 | 113.9 | W101 Y102 A146 L147 R148 Y152 | W101-D150 WeakPolarHBondContact CA-OD2 3.39Å; W101-D150 WeakPolarHBondContact CB-OD1 3.42Å; W101-D150 WeakPolarHBondContact CB-OD2 3.28Å; W101-D150 VanDerWaalsContact N-CG 3.3Å; W101-D150 PolarHBondContact N-OD1 3.29Å; W101-D150 PolarHBondContact N-OD2 2.96Å; W101-D150 VanDerWaalsContact N-OD2 3.1Å; Y102-D150 WeakPolarHBondContact CD1-OD2 3.38Å; Y102-D150 PolarHBondContact N-OD2 3.33Å; A146-D150 PolarHBondContact O-N 3.01Å; A146-D150 VanDerWaalsContact O-N 3.08Å; L147-D150 PolarHBondContact O-N 2.91Å; R148-D150 VanDerWaalsContact C-N 3.26Å; R148-D150 PolarHBondContact O-N 2.88Å; D150-Y152 HydrophobicContact CB-CD2 3.5Å; D150-Y152 VanDerWaalsContact CB-CD2 3.5Å; D150-Y152 HydrophobicContact CB-CE2 3.72Å; D150-Y152 PolarHBondContact O-N 3.45Å |
| 151 | N | 93.2 | Very high | 95.1 | Very high | 114 Ų | 114 | 54.4 Ų | 54.4 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.4 | -175.6 | -55.5 | -57.5 | 0 | 0 | 0 | 114.9 | L147 R148 L149 I153 | L147-N151 PolarHBondContact O-N 3.27Å; R148-N151 PolarHBondContact O-N 3.05Å; L149-N151 VanDerWaalsContact C-N 3.28Å; N151-I153 VanDerWaalsContact C-N 3.3Å |
| 152 | Y | 94.3 | Very high | 95.2 | Very high | 150 Ų | 150 | 58 Ų | 58 | 59% | 0.588 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -68.6 | -33.9 | 170.7 | -78.2 | -69.4 | 0 | 0 | 0 | 111.7 | Y102 L147 D150 | Y102-Y152 HydrophobicContact CD1-CE2 4.17Å; Y102-Y152 HydrophobicContact CE1-CE2 4.41Å; L147-Y152 HydrophobicContact CD2-CD2 3.92Å; L147-Y152 HydrophobicContact CD2-CG 4.25Å; L147-Y152 PolarHBondContact O-N 3.27Å; D150-Y152 HydrophobicContact CB-CD2 3.5Å; D150-Y152 VanDerWaalsContact CB-CD2 3.5Å; D150-Y152 HydrophobicContact CB-CE2 3.72Å; D150-Y152 PolarHBondContact O-N 3.45Å |
| 153 | I | 95.2 | Very high | 95.2 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 14% | 0.138 | 29% | 0.292 | C | S | . | . | trans | -117.5 | 131.7 | 175.4 | 60.3 | 175.6 | 0 | 0 | 0 | 110 | L144 L147 R148 N151 W155 V160 | L144-I153 HydrophobicContact CB-CD1 4.46Å; L144-I153 HydrophobicContact CD2-CD1 3.96Å; L147-I153 HydrophobicContact CB-CD1 4.07Å; L147-I153 HydrophobicContact CB-CG1 4.05Å; R148-I153 HydrophobicContact CB-CD1 4.19Å; R148-I153 HydrophobicContact CB-CG1 3.97Å; R148-I153 WeakPolarHBondContact CD-O 3.46Å; R148-I153 PolarHBondContact NH1-O 3.16Å; N151-I153 VanDerWaalsContact C-N 3.3Å; I153-W155 HydrophobicContact CD1-CE3 4.3Å; I153-V160 HydrophobicContact CD1-CG2 4.05Å | ||
| 154 | N | 93.5 | Very high | 95.1 | Very high | 125 Ų | 125 | 56.4 Ų | 56.4 | 67% | 0.668 | 28% | 0.28 | S | S | * | . | trans | -97.9 | 17.3 | -179 | -71.9 | -29.6 | 0 | 0 | 0 | 114.2 | R148 | R148-N154 VanDerWaalsContact NH1-CA 3.32Š| ||
| 155 | W | 95.1 | Very high | 95.1 | Very high | 142 Ų | 142 | 58 Ų | 58 | 54% | 0.538 | 28% | 0.284 | S | S | . | . | trans | -70.2 | 156.8 | -178 | -58.9 | -13.4 | 0 | 0 | 0 | 112.1 | L144 R148 I153 V159 V160 | L144-W155 HydrophobicContact CD2-CZ3 4.31Å; R148-W155 PolarHBondContact NE-O 2.91Å; R148-W155 PolarHBondContact NH2-O 3.46Å; R148-W155 VanDerWaalsContact NH2-O 3.12Å; I153-W155 HydrophobicContact CD1-CE3 4.3Å; W155-V159 HydrophobicContact CB-CB 4.29Å; W155-V159 HydrophobicContact CB-CG1 4.19Å; W155-V159 HydrophobicContact CD2-CG1 4.16Å; W155-V159 HydrophobicContact CE3-CG1 3.73Å; W155-V159 HydrophobicContact CG-CG1 4.39Å; W155-V159 HydrophobicContact CZ3-CG1 4.43Å; W155-V160 HydrophobicContact CB-CG2 4.32Å | ||
| 156 | T | 95.5 | Very high | 95 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | trans | -64.3 | 152 | 172.2 | 58 | 0 | 0 | 0 | 0 | 110.5 | V158 V159 V160 D221 | T156-V158 PolarHBondContact O-N 2.9Å; T156-V159 PolarHBondContact O-N 2.69Å; T156-V159 WeakPolarHBondContact OG1-CG2 3.33Å; T156-V160 WeakPolarHBondContact O-CG2 3.42Å; T156-V160 PolarHBondContact O-N 3.18Å; T156-V160 VanDerWaalsContact O-N 3.07Å; T156-D221 VanDerWaalsContact CA-OD1 3.31Å; T156-D221 WeakPolarHBondContact CA-OD1 3.48Å; T156-D221 WeakPolarHBondContact CB-OD1 3.33Å | ||
| 157 | W | 96 | Very high | 94.8 | Very high | 31 Ų | 31 | 63 Ų | 63 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.6 | -29.6 | 179 | -70.4 | 99.1 | 0 | 0 | 0 | 112.2 | R148 L149 V159 V160 L161 I217 L220 D221 | R148-W157 HydrophobicContact CB-CH2 4.18Å; R148-W157 HydrophobicContact CB-CZ3 4.15Å; R148-W157 HydrophobicContact CG-CD2 4.1Å; R148-W157 HydrophobicContact CG-CE3 3.97Å; R148-W157 HydrophobicContact CG-CH2 3.53Å; R148-W157 HydrophobicContact CG-CZ2 3.66Å; R148-W157 HydrophobicContact CG-CZ3 3.68Å; L149-W157 HydrophobicContact CD2-CH2 3.81Å; L149-W157 HydrophobicContact CD2-CZ2 4.45Å; L149-W157 HydrophobicContact CG-CH2 4.03Å; W157-V159 VanDerWaalsContact C-N 3.29Å; W157-V159 PolarHBondContact O-N 3.35Å; W157-V160 HydrophobicContact CE3-CG1 4.26Å; W157-V160 HydrophobicContact CZ3-CG1 4.49Å; W157-V160 PolarHBondContact O-N 3.3Å; W157-L161 WeakPolarHBondContact O-CG 3.34Å; W157-L161 PolarHBondContact O-N 3.41Å; W157-L161 VanDerWaalsContact O-N 3.12Å; W157-I217 HydrophobicContact CB-CG2 4Å; W157-L220 HydrophobicContact CB-CB 4.21Å; W157-L220 HydrophobicContact CD2-CB 4Å; W157-L220 HydrophobicContact CD2-CD2 3.69Å; W157-L220 HydrophobicContact CD2-CG 4.3Å; W157-L220 HydrophobicContact CE3-CD2 3.83Å; W157-L220 HydrophobicContact CG-CB 3.65Å; W157-L220 HydrophobicContact CG-CD2 4.17Å; W157-L220 HydrophobicContact CG-CG 4.45Å; W157-L220 HydrophobicContact CH2-CD2 4.19Å; W157-L220 HydrophobicContact CZ2-CD2 4.07Å; W157-L220 HydrophobicContact CZ3-CD2 4.08Å; W157-L220 PolarHBondContact NE1-O 2.98Å; W157-D221 PolarHBondContact N-OD1 3.42Å; W157-D221 PolarHBondContact N-OD2 2.91Å |
| 158 | V | 95.4 | Very high | 94.7 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.6 | -45.8 | 169.3 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | T156 W165 I217 D221 | T156-V158 PolarHBondContact O-N 2.9Å; V158-W165 PolarHBondContact O-NE1 3.03Å; V158-I217 HydrophobicContact CB-CG2 4.29Å; V158-I217 HydrophobicContact CG2-CG2 3.43Å; V158-I217 VanDerWaalsContact CG2-CG2 3.43Å; V158-D221 PolarHBondContact N-OD2 3.46Å |
| 159 | V | 95.7 | Very high | 94.6 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.6 | -41.6 | -178.5 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | W155 T156 W157 L161 I162 | W155-V159 HydrophobicContact CB-CB 4.29Å; W155-V159 HydrophobicContact CB-CG1 4.19Å; W155-V159 HydrophobicContact CD2-CG1 4.16Å; W155-V159 HydrophobicContact CE3-CG1 3.73Å; W155-V159 HydrophobicContact CG-CG1 4.39Å; W155-V159 HydrophobicContact CZ3-CG1 4.43Å; T156-V159 PolarHBondContact O-N 2.69Å; T156-V159 WeakPolarHBondContact OG1-CG2 3.33Å; W157-V159 VanDerWaalsContact C-N 3.29Å; W157-V159 PolarHBondContact O-N 3.35Å; V159-L161 PolarHBondContact O-N 2.92Å; V159-I162 HydrophobicContact CB-CD1 4.13Å; V159-I162 HydrophobicContact CG1-CD1 3.75Å; V159-I162 HydrophobicContact CG2-CD1 4.42Å; V159-I162 WeakPolarHBondContact O-CB 3.32Å; V159-I162 VanDerWaalsContact O-CD1 3.26Å; V159-I162 WeakPolarHBondContact O-CD1 3.44Å; V159-I162 WeakPolarHBondContact O-CG1 3.32Å; V159-I162 PolarHBondContact O-N 2.94Å; V159-I162 VanDerWaalsContact O-N 3.12Å |
| 160 | V | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.3 | -33 | 177.1 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | L144 I145 R148 I153 W155 T156 W157 | L144-V160 HydrophobicContact CB-CG1 3.89Å; L144-V160 WeakPolarHBondContact CD1-O 3.19Å; I145-V160 HydrophobicContact CG1-CG1 4.1Å; R148-V160 HydrophobicContact CB-CG1 4.29Å; R148-V160 HydrophobicContact CB-CG2 4.01Å; R148-V160 HydrophobicContact CG-CG2 4.04Å; I153-V160 HydrophobicContact CD1-CG2 4.05Å; W155-V160 HydrophobicContact CB-CG2 4.32Å; T156-V160 WeakPolarHBondContact O-CG2 3.42Å; T156-V160 PolarHBondContact O-N 3.18Å; T156-V160 VanDerWaalsContact O-N 3.07Å; W157-V160 HydrophobicContact CE3-CG1 4.26Å; W157-V160 HydrophobicContact CZ3-CG1 4.49Å; W157-V160 PolarHBondContact O-N 3.3Å |
| 161 | L | 96.1 | Very high | 94.3 | Very high | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 10.3 | -178.5 | -65.3 | 171.6 | 0 | 0 | 0 | 114.3 | C141 I145 W157 V159 P163 F164 W165 I217 | C141-L161 WeakPolarHBondContact SG-CD2 3.3Å; I145-L161 HydrophobicContact CD1-CD2 3.9Å; I145-L161 HydrophobicContact CG1-CD2 4.11Å; W157-L161 WeakPolarHBondContact O-CG 3.34Å; W157-L161 PolarHBondContact O-N 3.41Å; W157-L161 VanDerWaalsContact O-N 3.12Å; V159-L161 PolarHBondContact O-N 2.92Å; L161-P163 VanDerWaalsContact C-CD 3.47Å; L161-F164 HydrophobicContact CD2-CB 4.47Å; L161-F164 WeakPolarHBondContact O-CA 3.4Å; L161-F164 WeakPolarHBondContact O-CB 3.37Å; L161-F164 PolarHBondContact O-N 3.4Å; L161-W165 PolarHBondContact O-N 3.38Å; L161-I217 HydrophobicContact CB-CD1 4.42Å; L161-I217 HydrophobicContact CD1-CD1 3.29Å; L161-I217 HydrophobicContact CD1-CG1 3.41Å; L161-I217 VanDerWaalsContact CD1-CG1 3.41Å; L161-I217 HydrophobicContact CG-CD1 4.46Å |
| 162 | I | 95.5 | Very high | 94.2 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -48.5 | -47.9 | 174.4 | -71.5 | 163.8 | 0 | 0 | 0 | 113 | V159 F164 W165 I166 | V159-I162 HydrophobicContact CB-CD1 4.13Å; V159-I162 HydrophobicContact CG1-CD1 3.75Å; V159-I162 HydrophobicContact CG2-CD1 4.42Å; V159-I162 WeakPolarHBondContact O-CB 3.32Å; V159-I162 VanDerWaalsContact O-CD1 3.26Å; V159-I162 WeakPolarHBondContact O-CD1 3.44Å; V159-I162 WeakPolarHBondContact O-CG1 3.32Å; V159-I162 PolarHBondContact O-N 2.94Å; V159-I162 VanDerWaalsContact O-N 3.12Å; I162-F164 VanDerWaalsContact C-N 3.27Å; I162-F164 PolarHBondContact O-N 3.38Å; I162-W165 WeakPolarHBondContact O-CB 3.24Å; I162-W165 PolarHBondContact O-N 3.02Å; I162-W165 VanDerWaalsContact O-N 3.15Å; I162-I166 HydrophobicContact CG2-CD1 3.86Å; I162-I166 HydrophobicContact CG2-CG1 4.45Å; I162-I166 WeakPolarHBondContact O-CG1 3.43Å; I162-I166 PolarHBondContact O-N 3.45Å |
| 163 | P | 94.8 | Very high | 94.2 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -38.1 | 179.6 | -22.3 | 33.7 | 0 | 0 | 0 | 112.6 | P140 C141 L144 L161 I166 I167 | P140-P163 HydrophobicContact CB-CB 4.13Å; P140-P163 HydrophobicContact CB-CG 3.98Å; C141-P163 HydrophobicContact CB-CB 4.28Å; L144-P163 HydrophobicContact CD1-CG 4.02Å; L161-P163 VanDerWaalsContact C-CD 3.47Å; P163-I166 PolarHBondContact O-N 2.93Å; P163-I167 WeakPolarHBondContact O-CG1 3.47Å; P163-I167 PolarHBondContact O-N 3.29Å |
| 164 | F | 93.2 | Very high | 94 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 10% | 0.101 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 176.4 | 174.6 | -92.6 | 0 | 0 | 0 | 111.5 | F134 C141 L161 I162 I166 I167 M168 F209 V213 | F134-F164 HydrophobicContact CZ-CE2 4.14Å; C141-F164 HydrophobicContact CB-CB 4.43Å; L161-F164 HydrophobicContact CD2-CB 4.47Å; L161-F164 WeakPolarHBondContact O-CA 3.4Å; L161-F164 WeakPolarHBondContact O-CB 3.37Å; L161-F164 PolarHBondContact O-N 3.4Å; I162-F164 VanDerWaalsContact C-N 3.27Å; I162-F164 PolarHBondContact O-N 3.38Å; F164-I166 VanDerWaalsContact C-N 3.32Å; F164-I166 PolarHBondContact O-N 2.75Å; F164-I167 PolarHBondContact O-N 3.5Å; F164-M168 HydrophobicContact CD1-CG 3.93Å; F164-M168 HydrophobicContact CD2-CG 4.12Å; F164-M168 HydrophobicContact CE1-CB 4.42Å; F164-M168 HydrophobicContact CE1-CG 3.46Å; F164-M168 VanDerWaalsContact CE1-CG 3.46Å; F164-M168 HydrophobicContact CE2-CG 3.69Å; F164-M168 HydrophobicContact CE2-SD 4.07Å; F164-M168 HydrophobicContact CG-CG 4.24Å; F164-M168 HydrophobicContact CZ-CG 3.34Å; F164-M168 HydrophobicContact CZ-SD 3.91Å; F164-M168 WeakPolarHBondContact O-CB 3.48Å; F164-M168 WeakPolarHBondContact O-CG 3.45Å; F164-M168 PolarHBondContact O-N 2.83Å; F164-F209 HydrophobicContact CE2-CE1 4.34Å; F164-F209 AromaticContact CZ-CE1 3.77Å; F164-F209 HydrophobicContact CZ-CE1 3.77Å; F164-F209 HydrophobicContact CZ-CZ 4.37Å; F164-V213 HydrophobicContact CD1-CG1 4.33Å; F164-V213 HydrophobicContact CE1-CB 4.29Å; F164-V213 HydrophobicContact CE1-CG1 3.74Å; F164-V213 HydrophobicContact CE1-CG2 4.01Å; F164-V213 HydrophobicContact CZ-CG2 4.02Å |
| 165 | W | 95.3 | Very high | 93.8 | Very high | 68 Ų | 68 | 59 Ų | 59 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 175.9 | -65.8 | 127.3 | 0 | 0 | 0 | 113 | V158 L161 I162 G169 L210 V213 V214 I217 | V158-W165 PolarHBondContact O-NE1 3.03Å; L161-W165 PolarHBondContact O-N 3.38Å; I162-W165 WeakPolarHBondContact O-CB 3.24Å; I162-W165 PolarHBondContact O-N 3.02Å; I162-W165 VanDerWaalsContact O-N 3.15Å; W165-G169 WeakPolarHBondContact O-CA 3.35Å; W165-G169 PolarHBondContact O-N 3.36Å; W165-L210 HydrophobicContact CZ3-CG 4.22Å; W165-V213 HydrophobicContact CH2-CG1 3.87Å; W165-V213 HydrophobicContact CZ2-CG1 4.35Å; W165-V213 HydrophobicContact CZ3-CG1 4.34Å; W165-V214 HydrophobicContact CH2-CG2 3.53Å; W165-V214 HydrophobicContact CZ2-CG2 4.48Å; W165-V214 HydrophobicContact CZ3-CG2 4.15Å; W165-I217 HydrophobicContact CH2-CD1 3.79Å; W165-I217 HydrophobicContact CZ2-CD1 3.13Å |
| 166 | I | 94.4 | Very high | 93.6 | Very high | 115 Ų | 115 | 57.6 Ų | 57.6 | 59% | 0.59 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.8 | -46.8 | 177.9 | -64.9 | 163.1 | 0 | 0 | 0 | 110.2 | I162 P163 F164 F170 | I162-I166 HydrophobicContact CG2-CD1 3.86Å; I162-I166 HydrophobicContact CG2-CG1 4.45Å; I162-I166 WeakPolarHBondContact O-CG1 3.43Å; I162-I166 PolarHBondContact O-N 3.45Å; P163-I166 PolarHBondContact O-N 2.93Å; F164-I166 VanDerWaalsContact C-N 3.32Å; F164-I166 PolarHBondContact O-N 2.75Å; I166-F170 WeakPolarHBondContact O-CB 3.3Å; I166-F170 PolarHBondContact O-N 2.98Å |
| 167 | I | 92.5 | Very high | 93.4 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -45.9 | -179.3 | -64.4 | 164.2 | 0 | 0 | 0 | 110.9 | F134 L137 N138 P163 F164 F170 L171 | F134-I167 HydrophobicContact CD2-CG2 4.09Å; F134-I167 HydrophobicContact CE2-CG2 3.7Å; L137-I167 HydrophobicContact CB-CD1 3.8Å; L137-I167 WeakPolarHBondContact O-CD1 3.21Å; N138-I167 WeakPolarHBondContact OD1-CD1 3.39Å; P163-I167 WeakPolarHBondContact O-CG1 3.47Å; P163-I167 PolarHBondContact O-N 3.29Å; F164-I167 PolarHBondContact O-N 3.5Å; I167-F170 PolarHBondContact O-N 3.29Å; I167-L171 WeakPolarHBondContact O-CB 3.24Å; I167-L171 PolarHBondContact O-N 2.87Å |
| 168 | M | 91.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 178.6 | -71.9 | -57.8 | -64 | 0 | 0 | 112.2 | F134 F164 L171 I172 F209 | F134-M168 HydrophobicContact CE2-SD 4.22Å; F134-M168 HydrophobicContact CZ-SD 4.14Å; F164-M168 HydrophobicContact CD1-CG 3.93Å; F164-M168 HydrophobicContact CD2-CG 4.12Å; F164-M168 HydrophobicContact CE1-CB 4.42Å; F164-M168 HydrophobicContact CE1-CG 3.46Å; F164-M168 VanDerWaalsContact CE1-CG 3.46Å; F164-M168 HydrophobicContact CE2-CG 3.69Å; F164-M168 HydrophobicContact CE2-SD 4.07Å; F164-M168 HydrophobicContact CG-CG 4.24Å; F164-M168 HydrophobicContact CZ-CG 3.34Å; F164-M168 HydrophobicContact CZ-SD 3.91Å; F164-M168 WeakPolarHBondContact O-CB 3.48Å; F164-M168 WeakPolarHBondContact O-CG 3.45Å; F164-M168 PolarHBondContact O-N 2.83Å; M168-L171 PolarHBondContact O-N 3.26Å; M168-I172 WeakPolarHBondContact O-CG1 3.48Å; M168-I172 PolarHBondContact O-N 3.19Å; M168-F209 HydrophobicContact CE-CD1 3.81Å; M168-F209 HydrophobicContact CE-CE1 4.2Å |
| 169 | G | 93.4 | Very high | 92.7 | Very high | 33 Ų | 33 | 60.3 Ų | 60.3 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W165 L171 I172 V173 | W165-G169 WeakPolarHBondContact O-CA 3.35Å; W165-G169 PolarHBondContact O-N 3.36Å; G169-L171 PolarHBondContact O-N 3.5Å; G169-I172 PolarHBondContact O-N 2.79Å; G169-V173 WeakPolarHBondContact O-CG2 3.35Å; G169-V173 PolarHBondContact O-N 3.45Å |
| 170 | F | 92.3 | Very high | 92.4 | Very high | 147 Ų | 147 | 61.9 Ų | 61.9 | 65% | 0.645 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.9 | -44.6 | 174 | -178.5 | -97.8 | 0 | 0 | 0 | 112.2 | I166 I167 I172 V173 L174 | I166-F170 WeakPolarHBondContact O-CB 3.3Å; I166-F170 PolarHBondContact O-N 2.98Å; I167-F170 PolarHBondContact O-N 3.29Å; F170-I172 PolarHBondContact O-N 3.46Å; F170-V173 PolarHBondContact O-N 2.86Å; F170-L174 HydrophobicContact CE1-CD2 4.32Å; F170-L174 VanDerWaalsContact O-CB 3.32Å; F170-L174 WeakPolarHBondContact O-CB 3.37Å; F170-L174 PolarHBondContact O-N 3.14Å |
| 171 | L | 90.7 | Very high | 91.9 | Very high | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.335 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 178.8 | -174 | 151.6 | 0 | 0 | 0 | 112 | I167 M168 G169 L174 L175 A206 | I167-L171 WeakPolarHBondContact O-CB 3.24Å; I167-L171 PolarHBondContact O-N 2.87Å; M168-L171 PolarHBondContact O-N 3.26Å; G169-L171 PolarHBondContact O-N 3.5Å; L171-L174 PolarHBondContact O-N 2.98Å; L171-L175 VanDerWaalsContact O-CB 3.28Å; L171-L175 WeakPolarHBondContact O-CB 3.21Å; L171-L175 PolarHBondContact O-N 3.25Å; L171-A206 HydrophobicContact CD2-CB 4.13Å |
| 172 | I | 91.8 | Very high | 91.3 | Very high | 49 Ų | 49 | 68.1 Ų | 68.1 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 178.7 | -70.5 | 168.5 | 0 | 0 | 0 | 110.9 | M168 G169 F170 L174 L175 L176 A206 L210 | M168-I172 WeakPolarHBondContact O-CG1 3.48Å; M168-I172 PolarHBondContact O-N 3.19Å; G169-I172 PolarHBondContact O-N 2.79Å; F170-I172 PolarHBondContact O-N 3.46Å; I172-L174 VanDerWaalsContact C-N 3.34Å; I172-L174 PolarHBondContact O-N 3.45Å; I172-L175 PolarHBondContact O-N 3.49Å; I172-L176 VanDerWaalsContact O-CB 3.31Å; I172-L176 WeakPolarHBondContact O-CB 3.4Å; I172-L176 PolarHBondContact O-N 3.38Å; I172-A206 HydrophobicContact CG1-CB 4.49Å; I172-L210 HydrophobicContact CD1-CB 4.49Å; I172-L210 HydrophobicContact CD1-CD1 3.33Å |
| 173 | V | 93.6 | Very high | 90.7 | Very high | 98 Ų | 98 | 68.1 Ų | 68.1 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | G169 F170 L175 L176 F177 | G169-V173 WeakPolarHBondContact O-CG2 3.35Å; G169-V173 PolarHBondContact O-N 3.45Å; F170-V173 PolarHBondContact O-N 2.86Å; V173-L175 PolarHBondContact O-N 3.29Å; V173-L176 PolarHBondContact O-N 3.48Å; V173-F177 VanDerWaalsContact O-CB 3.29Å; V173-F177 WeakPolarHBondContact O-CB 3.49Å; V173-F177 PolarHBondContact O-N 3.13Å |
| 174 | L | 90.4 | Very high | 90.1 | Very high | 81 Ų | 81 | 69.8 Ų | 69.8 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 176.5 | 177.1 | 61.8 | 0 | 0 | 0 | 111.4 | F170 L171 I172 F177 L178 | F170-L174 HydrophobicContact CE1-CD2 4.32Å; F170-L174 VanDerWaalsContact O-CB 3.32Å; F170-L174 WeakPolarHBondContact O-CB 3.37Å; F170-L174 PolarHBondContact O-N 3.14Å; L171-L174 PolarHBondContact O-N 2.98Å; I172-L174 VanDerWaalsContact C-N 3.34Å; I172-L174 PolarHBondContact O-N 3.45Å; L174-F177 WeakPolarHBondContact O-CB 3.31Å; L174-F177 PolarHBondContact O-N 3.45Å; L174-L178 HydrophobicContact CD1-CD1 4.47Å; L174-L178 HydrophobicContact CG-CD1 4.31Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.47Å; L174-L178 PolarHBondContact O-N 2.88Å |
| 175 | L | 90.4 | Very high | 89.4 | Confident | 25 Ų | 25 | 74.7 Ų | 74.7 | 13% | 0.131 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70 | -38 | -177.5 | -163.9 | 67 | 0 | 0 | 0 | 111.9 | L171 I172 V173 L178 V179 M199 C202 T203 A206 | L171-L175 VanDerWaalsContact O-CB 3.28Å; L171-L175 WeakPolarHBondContact O-CB 3.21Å; L171-L175 PolarHBondContact O-N 3.25Å; I172-L175 PolarHBondContact O-N 3.49Å; V173-L175 PolarHBondContact O-N 3.29Å; L175-L178 PolarHBondContact O-N 3.1Å; L175-V179 WeakPolarHBondContact O-CG2 3.41Å; L175-V179 PolarHBondContact O-N 3.34Å; L175-M199 HydrophobicContact CD1-CE 3.51Å; L175-M199 HydrophobicContact CD1-SD 4.33Å; L175-C202 HydrophobicContact CD1-CB 4.32Å; L175-C202 HydrophobicContact CD2-CB 4.15Å; L175-T203 HydrophobicContact CB-CG2 4.13Å; L175-T203 VanDerWaalsContact CD2-CA 3.42Å; L175-T203 HydrophobicContact CD2-CG2 3.51Å; L175-T203 HydrophobicContact CG-CG2 3.39Å; L175-A206 HydrophobicContact CD2-CB 4.28Å |
| 176 | L | 91 | Very high | 87.9 | Confident | 113 Ų | 113 | 76.3 Ų | 76.3 | 59% | 0.592 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 172 | -176 | 68.8 | 0 | 0 | 0 | 111.5 | I172 V173 V179 C180 | I172-L176 VanDerWaalsContact O-CB 3.31Å; I172-L176 WeakPolarHBondContact O-CB 3.4Å; I172-L176 PolarHBondContact O-N 3.38Å; V173-L176 PolarHBondContact O-N 3.48Å; L176-V179 PolarHBondContact O-N 3.4Å; L176-C180 WeakPolarHBondContact O-CB 3.29Å; L176-C180 PolarHBondContact O-N 2.96Å |
| 177 | F | 91.4 | Very high | 86.7 | Confident | 121 Ų | 121 | 81.4 Ų | 81.4 | 53% | 0.531 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 174.8 | 173.5 | -101.2 | 0 | 0 | 0 | 111.3 | V173 L174 V179 C180 M181 | V173-F177 VanDerWaalsContact O-CB 3.29Å; V173-F177 WeakPolarHBondContact O-CB 3.49Å; V173-F177 PolarHBondContact O-N 3.13Å; L174-F177 WeakPolarHBondContact O-CB 3.31Å; L174-F177 PolarHBondContact O-N 3.45Å; F177-V179 PolarHBondContact O-N 3.44Å; F177-C180 PolarHBondContact O-N 3.36Å; F177-M181 HydrophobicContact CD1-CG 4.31Å; F177-M181 HydrophobicContact CD2-CG 4.34Å; F177-M181 HydrophobicContact CE1-CG 3.88Å; F177-M181 HydrophobicContact CE2-CG 3.9Å; F177-M181 HydrophobicContact CE2-SD 4.09Å; F177-M181 HydrophobicContact CZ-CG 3.65Å; F177-M181 HydrophobicContact CZ-SD 3.95Å; F177-M181 WeakPolarHBondContact O-CG 3.45Å; F177-M181 PolarHBondContact O-N 2.97Å |
| 178 | L | 88.6 | Confident | 85.4 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 40% | 0.403 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176.9 | -68.8 | 169.2 | 0 | 0 | 0 | 112.2 | L174 L175 M181 L182 M199 | L174-L178 HydrophobicContact CD1-CD1 4.47Å; L174-L178 HydrophobicContact CG-CD1 4.31Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.47Å; L174-L178 PolarHBondContact O-N 2.88Å; L175-L178 PolarHBondContact O-N 3.1Å; L178-M181 PolarHBondContact O-N 2.85Å; L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 2.99Å; L178-M199 HydrophobicContact CB-CE 3.42Å; L178-M199 VanDerWaalsContact CB-CE 3.42Å; L178-M199 HydrophobicContact CD1-CE 3.75Å; L178-M199 HydrophobicContact CG-CE 4.22Å |
| 179 | V | 88.3 | Confident | 84.3 | Confident | 30 Ų | 30 | 88 Ų | 88 | 18% | 0.182 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.5 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L175 L176 F177 L182 C183 M199 T203 | L175-V179 WeakPolarHBondContact O-CG2 3.41Å; L175-V179 PolarHBondContact O-N 3.34Å; L176-V179 PolarHBondContact O-N 3.4Å; F177-V179 PolarHBondContact O-N 3.44Å; V179-L182 PolarHBondContact O-N 3.16Å; V179-C183 VanDerWaalsContact O-CB 3.29Å; V179-C183 WeakPolarHBondContact O-CB 3.37Å; V179-C183 PolarHBondContact O-N 3.17Å; V179-M199 HydrophobicContact CG2-CB 3.88Å; V179-T203 HydrophobicContact CG2-CG2 3.68Å |
| 180 | C | 88.2 | Confident | 83.1 | Confident | 86 Ų | 86 | 95 Ų | 95 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 177.8 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | L176 F177 L182 C183 G184 | L176-C180 WeakPolarHBondContact O-CB 3.29Å; L176-C180 PolarHBondContact O-N 2.96Å; F177-C180 PolarHBondContact O-N 3.36Å; C180-L182 VanDerWaalsContact C-N 3.31Å; C180-L182 PolarHBondContact O-N 2.95Å; C180-C183 PolarHBondContact O-N 3.48Å; C180-G184 PolarHBondContact O-N 2.95Å |
| 181 | M | 86.4 | Confident | 82 | Confident | 108 Ų | 108 | 95.6 Ų | 95.6 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 176.3 | -73.1 | -63.9 | -66.9 | 0 | 0 | 112 | F177 L178 G184 L185 | F177-M181 HydrophobicContact CD1-CG 4.31Å; F177-M181 HydrophobicContact CD2-CG 4.34Å; F177-M181 HydrophobicContact CE1-CG 3.88Å; F177-M181 HydrophobicContact CE2-CG 3.9Å; F177-M181 HydrophobicContact CE2-SD 4.09Å; F177-M181 HydrophobicContact CZ-CG 3.65Å; F177-M181 HydrophobicContact CZ-SD 3.95Å; F177-M181 WeakPolarHBondContact O-CG 3.45Å; F177-M181 PolarHBondContact O-N 2.97Å; L178-M181 PolarHBondContact O-N 2.85Å; M181-G184 PolarHBondContact O-N 3.35Å; M181-L185 PolarHBondContact O-N 3.3Å |
| 182 | L | 84.2 | Confident | 81.1 | Confident | 44 Ų | 44 | 94.8 Ų | 94.8 | 23% | 0.23 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -71.7 | -34.7 | -179.8 | -165.1 | 63.6 | 0 | 0 | 0 | 112.4 | L178 V179 C180 D195 I196 M199 | L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 2.99Å; V179-L182 PolarHBondContact O-N 3.16Å; C180-L182 VanDerWaalsContact C-N 3.31Å; C180-L182 PolarHBondContact O-N 2.95Å; L182-D195 HydrophobicContact CD2-CB 4.25Å; L182-I196 HydrophobicContact CB-CG1 4.44Å; L182-I196 HydrophobicContact CD1-CG1 4.49Å; L182-I196 HydrophobicContact CD2-CB 4.13Å; L182-I196 HydrophobicContact CD2-CG1 3.36Å; L182-I196 HydrophobicContact CG-CD1 4.27Å; L182-I196 HydrophobicContact CG-CG1 3.47Å; L182-I196 VanDerWaalsContact CG-CG1 3.47Å; L182-M199 HydrophobicContact CD2-CG 4.31Å |
| 183 | C | 83 | Confident | 80.3 | Confident | 82 Ų | 82 | 96.9 Ų | 96.9 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72.1 | -36.3 | 174.8 | -169.4 | 0 | 0 | 0 | 0 | 112.4 | V179 C180 L185 | V179-C183 VanDerWaalsContact O-CB 3.29Å; V179-C183 WeakPolarHBondContact O-CB 3.37Å; V179-C183 PolarHBondContact O-N 3.17Å; C180-C183 PolarHBondContact O-N 3.48Å; C183-L185 VanDerWaalsContact C-N 3.31Å; C183-L185 PolarHBondContact O-N 3.34Å |
| 184 | G | 81.1 | Confident | 79.5 | Confident | 61 Ų | 61 | 96 Ų | 96 | 63% | 0.629 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.3 | -23.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C180 M181 S186 | C180-G184 PolarHBondContact O-N 2.95Å; M181-G184 PolarHBondContact O-N 3.35Å; G184-S186 VanDerWaalsContact C-N 3.28Å; G184-S186 PolarHBondContact O-N 2.93Å |
| 185 | L | 78.7 | Confident | 79 | Confident | 125 Ų | 125 | 95.9 Ų | 95.9 | 65% | 0.654 | 50% | 0.503 | S | S | * | . | trans | -75.2 | 81.7 | 172.4 | -131.8 | 74.9 | 0 | 0 | 0 | 109.2 | M181 C183 R187 | M181-L185 PolarHBondContact O-N 3.3Å; C183-L185 VanDerWaalsContact C-N 3.31Å; C183-L185 PolarHBondContact O-N 3.34Å; L185-R187 PolarHBondContact O-N 3.14Å | ||
| 186 | S | 63.1 | Low | 78.6 | Confident | 103 Ų | 103 | 96.6 Ų | 96.6 | 72% | 0.72 | 51% | 0.506 | S | S | * | . | trans | -65.8 | 18.6 | -172 | 70.4 | 0 | 0 | 0 | 0 | 116.1 | G184 | G184-S186 VanDerWaalsContact C-N 3.28Å; G184-S186 PolarHBondContact O-N 2.93Å | ||
| 187 | R | 70.4 | Confident | 78.3 | Confident | 221 Ų | 221 | 95.7 Ų | 95.7 | 83% | 0.834 | 51% | 0.505 | S | S | * | . | trans | -115.1 | 77.1 | 175.9 | -71 | -170.8 | 178.6 | -166.4 | 0.6 | 109.4 | L185 T189 | L185-R187 PolarHBondContact O-N 3.14Å; R187-T189 PolarHBondContact O-N 3.04Å | ||
| 188 | F | 64.9 | Low | 78 | Confident | 104 Ų | 104 | 91.3 Ų | 91.3 | 46% | 0.456 | 49% | 0.489 | S | S | . | . | trans | -73.7 | 111.8 | 178.3 | -56.9 | -61.2 | 0 | 0 | 0 | 110.9 | L193 I196 | F188-L193 HydrophobicContact CB-CD2 4.21Å; F188-L193 HydrophobicContact CG-CD2 4.35Å; F188-I196 HydrophobicContact CD1-CD1 3.32Å; F188-I196 HydrophobicContact CE1-CD1 3.21Å; F188-I196 HydrophobicContact CG-CD1 4.48Å; F188-I196 HydrophobicContact CZ-CD1 4.29Å | ||
| 189 | T | 69.2 | Low | 77.9 | Confident | 76 Ų | 76 | 89.7 Ų | 89.7 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | trans | -85.6 | 162 | 158 | 71.5 | 0 | 0 | 0 | 0 | 109.9 | R187 K191 D192 L193 | R187-T189 PolarHBondContact O-N 3.04Å; T189-K191 PolarHBondContact O-N 3.1Å; T189-K191 VanDerWaalsContact O-N 3.11Å; T189-D192 WeakPolarHBondContact CA-OD2 3.31Å; T189-D192 VanDerWaalsContact CB-OD2 3.31Å; T189-D192 WeakPolarHBondContact CB-OD2 3.28Å; T189-D192 PolarHBondContact N-OD2 3.28Å; T189-D192 WeakPolarHBondContact O-CB 3.5Å; T189-D192 PolarHBondContact O-N 3.01Å; T189-D192 PolarHBondContact OG1-OD1 2.99Å; T189-D192 PolarHBondContact OG1-OD2 2.68Å; T189-L193 PolarHBondContact O-N 2.85Å | ||
| 190 | Q | 68.1 | Low | 77.9 | Confident | 179 Ų | 179 | 92.5 Ų | 92.5 | 84% | 0.836 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.9 | -27.6 | -179.6 | -161 | -169.9 | 16 | 0 | 0 | 113 | ||
| 191 | K | 68.2 | Low | 77.9 | Confident | 160 Ų | 160 | 88.6 Ų | 88.6 | 70% | 0.696 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.4 | -40.1 | 174.3 | -67.1 | 176.2 | -176.9 | 167.2 | 0 | 111.2 | T189 L193 H194 D195 | T189-K191 PolarHBondContact O-N 3.1Å; T189-K191 VanDerWaalsContact O-N 3.11Å; K191-L193 VanDerWaalsContact C-N 3.33Å; K191-L193 PolarHBondContact O-N 3.16Å; K191-H194 PolarHBondContact O-N 3.19Å; K191-D195 PolarHBondContact O-N 3.36Å |
| 192 | D | 71.4 | Confident | 78 | Confident | 48 Ų | 48 | 85.8 Ų | 85.8 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | -179.6 | -51.7 | -37.9 | 0 | 0 | 0 | 111.8 | T189 H194 D195 I196 | T189-D192 WeakPolarHBondContact CA-OD2 3.31Å; T189-D192 VanDerWaalsContact CB-OD2 3.31Å; T189-D192 WeakPolarHBondContact CB-OD2 3.28Å; T189-D192 PolarHBondContact N-OD2 3.28Å; T189-D192 WeakPolarHBondContact O-CB 3.5Å; T189-D192 PolarHBondContact O-N 3.01Å; T189-D192 PolarHBondContact OG1-OD1 2.99Å; T189-D192 PolarHBondContact OG1-OD2 2.68Å; D192-H194 VanDerWaalsContact C-N 3.3Å; D192-H194 PolarHBondContact O-N 3.47Å; D192-D195 PolarHBondContact O-N 3.26Å; D192-I196 WeakPolarHBondContact O-CD1 3.29Å; D192-I196 WeakPolarHBondContact O-CG1 3.38Å; D192-I196 PolarHBondContact O-N 2.98Å |
| 193 | L | 76.1 | Confident | 78.2 | Confident | 93 Ų | 93 | 85.1 Ų | 85.1 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 175.5 | -69.6 | 179.5 | 0 | 0 | 0 | 112.5 | F188 T189 K191 I196 V197 | F188-L193 HydrophobicContact CB-CD2 4.21Å; F188-L193 HydrophobicContact CG-CD2 4.35Å; T189-L193 PolarHBondContact O-N 2.85Å; K191-L193 VanDerWaalsContact C-N 3.33Å; K191-L193 PolarHBondContact O-N 3.16Å; L193-I196 PolarHBondContact O-N 2.88Å; L193-V197 WeakPolarHBondContact O-CB 3.35Å; L193-V197 VanDerWaalsContact O-CG2 3.23Å; L193-V197 WeakPolarHBondContact O-CG2 3.45Å; L193-V197 PolarHBondContact O-N 2.94Å |
| 194 | H | 76 | Confident | 78.6 | Confident | 79 Ų | 79 | 84 Ų | 84 | 37% | 0.366 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 176.6 | 171.9 | -85.3 | 0 | 0 | 0 | 111.2 | K191 D192 I196 V197 S198 L252 | K191-H194 PolarHBondContact O-N 3.19Å; D192-H194 VanDerWaalsContact C-N 3.3Å; D192-H194 PolarHBondContact O-N 3.47Å; H194-I196 VanDerWaalsContact C-N 3.29Å; H194-I196 PolarHBondContact O-N 3.3Å; H194-V197 PolarHBondContact O-N 2.9Å; H194-S198 VanDerWaalsContact O-CB 3.31Å; H194-S198 WeakPolarHBondContact O-CB 3.32Å; H194-S198 PolarHBondContact O-N 3.37Å; H194-L252 VanDerWaalsContact NE2-CD1 3.34Å; H194-L252 WeakPolarHBondContact NE2-CD1 3.48Å |
| 195 | D | 80.3 | Confident | 79.2 | Confident | 79 Ų | 79 | 82.3 Ų | 82.3 | 42% | 0.422 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 179 | -66.4 | -15.4 | 0 | 0 | 0 | 110.6 | L182 K191 D192 S198 M199 | L182-D195 HydrophobicContact CD2-CB 4.25Å; K191-D195 PolarHBondContact O-N 3.36Å; D192-D195 PolarHBondContact O-N 3.26Å; D195-S198 PolarHBondContact O-N 2.92Å; D195-M199 VanDerWaalsContact O-CB 3.28Å; D195-M199 WeakPolarHBondContact O-CB 3.47Å; D195-M199 WeakPolarHBondContact O-CG 3.22Å; D195-M199 PolarHBondContact O-N 3.3Å |
| 196 | I | 82 | Confident | 79.8 | Confident | 40 Ų | 40 | 77 Ų | 77 | 21% | 0.205 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 172 | -66.4 | 160.9 | 0 | 0 | 0 | 111.2 | L182 F188 D192 L193 H194 S198 M199 I200 | L182-I196 HydrophobicContact CB-CG1 4.44Å; L182-I196 HydrophobicContact CD1-CG1 4.49Å; L182-I196 HydrophobicContact CD2-CB 4.13Å; L182-I196 HydrophobicContact CD2-CG1 3.36Å; L182-I196 HydrophobicContact CG-CD1 4.27Å; L182-I196 HydrophobicContact CG-CG1 3.47Å; L182-I196 VanDerWaalsContact CG-CG1 3.47Å; F188-I196 HydrophobicContact CD1-CD1 3.32Å; F188-I196 HydrophobicContact CE1-CD1 3.21Å; F188-I196 HydrophobicContact CG-CD1 4.48Å; F188-I196 HydrophobicContact CZ-CD1 4.29Å; D192-I196 WeakPolarHBondContact O-CD1 3.29Å; D192-I196 WeakPolarHBondContact O-CG1 3.38Å; D192-I196 PolarHBondContact O-N 2.98Å; L193-I196 PolarHBondContact O-N 2.88Å; H194-I196 VanDerWaalsContact C-N 3.29Å; H194-I196 PolarHBondContact O-N 3.3Å; I196-S198 VanDerWaalsContact C-N 3.31Å; I196-S198 PolarHBondContact O-N 2.99Å; I196-M199 PolarHBondContact O-N 3.5Å; I196-I200 WeakPolarHBondContact O-CG2 3.27Å; I196-I200 PolarHBondContact O-N 3.49Å |
| 197 | V | 84.4 | Confident | 81.2 | Confident | 93 Ų | 93 | 77.9 Ų | 77.9 | 56% | 0.564 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.2 | -38.4 | 179.6 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L193 H194 I200 G201 | L193-V197 WeakPolarHBondContact O-CB 3.35Å; L193-V197 VanDerWaalsContact O-CG2 3.23Å; L193-V197 WeakPolarHBondContact O-CG2 3.45Å; L193-V197 PolarHBondContact O-N 2.94Å; H194-V197 PolarHBondContact O-N 2.9Å; V197-I200 WeakPolarHBondContact O-CG2 3.41Å; V197-G201 PolarHBondContact O-N 3.36Å |
| 198 | S | 85.3 | Confident | 82.4 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | H194 D195 I196 G201 C202 | H194-S198 VanDerWaalsContact O-CB 3.31Å; H194-S198 WeakPolarHBondContact O-CB 3.32Å; H194-S198 PolarHBondContact O-N 3.37Å; D195-S198 PolarHBondContact O-N 2.92Å; I196-S198 VanDerWaalsContact C-N 3.31Å; I196-S198 PolarHBondContact O-N 2.99Å; S198-G201 PolarHBondContact O-N 3.42Å; S198-C202 PolarHBondContact O-N 2.92Å; S198-C202 PolarHBondContact O-SG 3.25Å |
| 199 | M | 86.6 | Confident | 83.7 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 21% | 0.212 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.4 | -43.1 | -179.7 | -70.5 | -63.4 | -68.6 | 0 | 0 | 112.4 | L175 L178 V179 L182 D195 I196 G201 C202 T203 | L175-M199 HydrophobicContact CD1-CE 3.51Å; L175-M199 HydrophobicContact CD1-SD 4.33Å; L178-M199 HydrophobicContact CB-CE 3.42Å; L178-M199 VanDerWaalsContact CB-CE 3.42Å; L178-M199 HydrophobicContact CD1-CE 3.75Å; L178-M199 HydrophobicContact CG-CE 4.22Å; V179-M199 HydrophobicContact CG2-CB 3.88Å; L182-M199 HydrophobicContact CD2-CG 4.31Å; D195-M199 VanDerWaalsContact O-CB 3.28Å; D195-M199 WeakPolarHBondContact O-CB 3.47Å; D195-M199 WeakPolarHBondContact O-CG 3.22Å; D195-M199 PolarHBondContact O-N 3.3Å; I196-M199 PolarHBondContact O-N 3.5Å; M199-G201 VanDerWaalsContact C-N 3.28Å; M199-G201 PolarHBondContact O-N 2.99Å; M199-C202 PolarHBondContact O-N 3.31Å; M199-T203 PolarHBondContact O-N 3.49Å; M199-T203 PolarHBondContact O-OG1 3.32Å |
| 200 | I | 87.6 | Confident | 84.9 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 46% | 0.462 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 172.4 | -168.8 | 70.6 | 0 | 0 | 0 | 110.5 | I196 V197 T203 S204 | I196-I200 WeakPolarHBondContact O-CG2 3.27Å; I196-I200 PolarHBondContact O-N 3.49Å; V197-I200 WeakPolarHBondContact O-CG2 3.41Å; I200-T203 WeakPolarHBondContact CA-OG1 3.34Å; I200-T203 PolarHBondContact O-N 2.96Å; I200-T203 PolarHBondContact O-OG1 3.49Å; I200-S204 WeakPolarHBondContact O-CB 3.31Å; I200-S204 PolarHBondContact O-N 2.98Å |
| 201 | G | 88.5 | Confident | 86.2 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V197 S198 M199 T203 S204 I205 | V197-G201 PolarHBondContact O-N 3.36Å; S198-G201 PolarHBondContact O-N 3.42Å; M199-G201 VanDerWaalsContact C-N 3.28Å; M199-G201 PolarHBondContact O-N 2.99Å; G201-T203 VanDerWaalsContact C-N 3.34Å; G201-T203 PolarHBondContact O-N 3.32Å; G201-S204 WeakPolarHBondContact O-CB 3.49Å; G201-S204 PolarHBondContact O-N 3.36Å; G201-I205 WeakPolarHBondContact O-CG1 3.34Å; G201-I205 PolarHBondContact O-N 3.25Å |
| 202 | C | 88.5 | Confident | 87.5 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 175.5 | -70.9 | 0 | 0 | 0 | 0 | 112.2 | L175 S198 M199 S204 I205 A206 | L175-C202 HydrophobicContact CD1-CB 4.32Å; L175-C202 HydrophobicContact CD2-CB 4.15Å; S198-C202 PolarHBondContact O-N 2.92Å; S198-C202 PolarHBondContact O-SG 3.25Å; M199-C202 PolarHBondContact O-N 3.31Å; C202-S204 VanDerWaalsContact C-N 3.35Å; C202-I205 PolarHBondContact O-N 2.86Å; C202-A206 PolarHBondContact O-N 2.92Å |
| 203 | T | 89.7 | Confident | 88.6 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | L175 V179 M199 I200 G201 I205 A206 F207 | L175-T203 HydrophobicContact CB-CG2 4.13Å; L175-T203 VanDerWaalsContact CD2-CA 3.42Å; L175-T203 HydrophobicContact CD2-CG2 3.51Å; L175-T203 HydrophobicContact CG-CG2 3.39Å; V179-T203 HydrophobicContact CG2-CG2 3.68Å; M199-T203 PolarHBondContact O-N 3.49Å; M199-T203 PolarHBondContact O-OG1 3.32Å; I200-T203 WeakPolarHBondContact CA-OG1 3.34Å; I200-T203 PolarHBondContact O-N 2.96Å; I200-T203 PolarHBondContact O-OG1 3.49Å; G201-T203 VanDerWaalsContact C-N 3.34Å; G201-T203 PolarHBondContact O-N 3.32Å; T203-I205 PolarHBondContact O-N 2.87Å; T203-A206 PolarHBondContact O-N 3.22Å; T203-F207 WeakPolarHBondContact O-CB 3.43Å; T203-F207 PolarHBondContact O-N 3.47Å |
| 204 | S | 91.1 | Very high | 89.5 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | I200 G201 C202 F207 T208 | I200-S204 WeakPolarHBondContact O-CB 3.31Å; I200-S204 PolarHBondContact O-N 2.98Å; G201-S204 WeakPolarHBondContact O-CB 3.49Å; G201-S204 PolarHBondContact O-N 3.36Å; C202-S204 VanDerWaalsContact C-N 3.35Å; S204-F207 PolarHBondContact O-N 2.68Å; S204-T208 WeakPolarHBondContact O-CB 3.43Å; S204-T208 PolarHBondContact O-N 3.42Å; S204-T208 PolarHBondContact O-OG1 2.9Å |
| 205 | I | 92.7 | Very high | 90.4 | Very high | 24 Ų | 24 | 47 Ų | 47 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 174 | -64.1 | 159.9 | 0 | 0 | 0 | 110.7 | G201 C202 T203 F207 T208 F209 C238 F241 L242 | G201-I205 WeakPolarHBondContact O-CG1 3.34Å; G201-I205 PolarHBondContact O-N 3.25Å; C202-I205 PolarHBondContact O-N 2.86Å; T203-I205 PolarHBondContact O-N 2.87Å; I205-F207 VanDerWaalsContact C-N 3.28Å; I205-F207 PolarHBondContact O-N 3.5Å; I205-T208 PolarHBondContact O-N 3.38Å; I205-F209 WeakPolarHBondContact O-CB 3.36Å; I205-F209 PolarHBondContact O-N 3.44Å; I205-C238 HydrophobicContact CG2-CB 4.42Å; I205-F241 HydrophobicContact CD1-CD1 3.43Å; I205-F241 VanDerWaalsContact CD1-CD1 3.43Å; I205-F241 HydrophobicContact CD1-CE1 3.92Å; I205-F241 HydrophobicContact CG1-CB 4.35Å; I205-F241 HydrophobicContact CG1-CD1 3.33Å; I205-F241 HydrophobicContact CG1-CE1 3.96Å; I205-F241 HydrophobicContact CG1-CG 4.19Å; I205-L242 HydrophobicContact CD1-CD2 3.67Å; I205-L242 HydrophobicContact CD1-CG 4.13Å; I205-L242 HydrophobicContact CG2-CD2 4.36Å; I205-L242 HydrophobicContact CG2-CG 4.3Å |
| 206 | A | 91.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 11% | 0.107 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L171 I172 L175 C202 T203 L210 | L171-A206 HydrophobicContact CD2-CB 4.13Å; I172-A206 HydrophobicContact CG1-CB 4.49Å; L175-A206 HydrophobicContact CD2-CB 4.28Å; C202-A206 PolarHBondContact O-N 2.92Å; T203-A206 PolarHBondContact O-N 3.22Å; A206-L210 PolarHBondContact O-N 2.73Å |
| 207 | F | 92.5 | Very high | 91.7 | Very high | 123 Ų | 123 | 43.8 Ų | 43.8 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.1 | -43.9 | 176.5 | -171.7 | -104.2 | 0 | 0 | 0 | 112.6 | T203 S204 I205 F209 L210 I211 | T203-F207 WeakPolarHBondContact O-CB 3.43Å; T203-F207 PolarHBondContact O-N 3.47Å; S204-F207 PolarHBondContact O-N 2.68Å; I205-F207 VanDerWaalsContact C-N 3.28Å; I205-F207 PolarHBondContact O-N 3.5Å; F207-F209 VanDerWaalsContact C-N 3.29Å; F207-F209 PolarHBondContact O-N 2.89Å; F207-L210 WeakPolarHBondContact O-CB 3.37Å; F207-L210 PolarHBondContact O-N 3.43Å; F207-L210 VanDerWaalsContact O-N 3.13Å; F207-I211 HydrophobicContact CD1-CD1 3.81Å; F207-I211 HydrophobicContact CD1-CG1 4.43Å; F207-I211 HydrophobicContact CE1-CD1 3.57Å; F207-I211 HydrophobicContact CE1-CG1 4.21Å; F207-I211 HydrophobicContact CZ-CD1 4.36Å; F207-I211 WeakPolarHBondContact O-CG1 3.43Å; F207-I211 PolarHBondContact O-N 3.26Å |
| 208 | T | 94.6 | Very high | 92.1 | Very high | 22 Ų | 22 | 41 Ų | 41 | 14% | 0.135 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -37.7 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | S204 I205 I211 F212 P234 I237 C238 | S204-T208 WeakPolarHBondContact O-CB 3.43Å; S204-T208 PolarHBondContact O-N 3.42Å; S204-T208 PolarHBondContact O-OG1 2.9Å; I205-T208 PolarHBondContact O-N 3.38Å; T208-I211 PolarHBondContact O-N 2.84Å; T208-F212 PolarHBondContact O-N 2.87Å; T208-F212 VanDerWaalsContact O-N 3.1Å; T208-P234 HydrophobicContact CG2-CB 3.79Å; T208-P234 VanDerWaalsContact CG2-O 3.29Å; T208-P234 WeakPolarHBondContact CG2-O 3.29Å; T208-I237 HydrophobicContact CG2-CB 4.28Å; T208-I237 HydrophobicContact CG2-CG2 4.2Å; T208-C238 WeakPolarHBondContact CB-SG 3.27Å; T208-C238 WeakPolarHBondContact CG2-SG 3.34Å |
| 209 | F | 93.6 | Very high | 92.5 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.1 | -37.7 | 173.7 | -178.8 | -113.1 | 0 | 0 | 0 | 111.9 | F164 M168 I205 F207 F212 V213 L235 C238 | F164-F209 HydrophobicContact CE2-CE1 4.34Å; F164-F209 AromaticContact CZ-CE1 3.77Å; F164-F209 HydrophobicContact CZ-CE1 3.77Å; F164-F209 HydrophobicContact CZ-CZ 4.37Å; M168-F209 HydrophobicContact CE-CD1 3.81Å; M168-F209 HydrophobicContact CE-CE1 4.2Å; I205-F209 WeakPolarHBondContact O-CB 3.36Å; I205-F209 PolarHBondContact O-N 3.44Å; F207-F209 VanDerWaalsContact C-N 3.29Å; F207-F209 PolarHBondContact O-N 2.89Å; F209-F212 HydrophobicContact CD2-CD1 4.1Å; F209-F212 AromaticContact CE2-CD1 3.98Å; F209-F212 HydrophobicContact CE2-CD1 3.98Å; F209-F212 HydrophobicContact CE2-CE1 4.34Å; F209-F212 WeakPolarHBondContact O-CB 3.43Å; F209-F212 PolarHBondContact O-N 2.98Å; F209-V213 HydrophobicContact CD1-CG2 4.48Å; F209-V213 HydrophobicContact CE1-CG2 4.13Å; F209-V213 HydrophobicContact CE2-CG2 4.31Å; F209-V213 HydrophobicContact CZ-CG2 4.02Å; F209-V213 WeakPolarHBondContact O-CG2 3.34Å; F209-V213 PolarHBondContact O-N 3.35Å; F209-L235 HydrophobicContact CD2-CD1 4.21Å; F209-L235 HydrophobicContact CE2-CD1 4.3Å; F209-C238 PolarHBondContact N-SG 3.26Å |
| 210 | L | 94.2 | Very high | 92.8 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 172.4 | -174.6 | 155.9 | 0 | 0 | 0 | 111.1 | W165 I172 A206 F207 F212 V213 V214 | W165-L210 HydrophobicContact CZ3-CG 4.22Å; I172-L210 HydrophobicContact CD1-CB 4.49Å; I172-L210 HydrophobicContact CD1-CD1 3.33Å; A206-L210 PolarHBondContact O-N 2.73Å; F207-L210 WeakPolarHBondContact O-CB 3.37Å; F207-L210 PolarHBondContact O-N 3.43Å; F207-L210 VanDerWaalsContact O-N 3.13Å; L210-F212 VanDerWaalsContact C-N 3.31Å; L210-F212 PolarHBondContact O-N 3.21Å; L210-V213 PolarHBondContact O-N 3.48Å; L210-V213 VanDerWaalsContact O-N 3.12Å; L210-V214 HydrophobicContact CD2-CG2 3.64Å; L210-V214 HydrophobicContact CG-CG2 4.49Å; L210-V214 WeakPolarHBondContact O-CG2 3.31Å; L210-V214 PolarHBondContact O-N 3.3Å |
| 211 | I | 95 | Very high | 93 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.7 | -47 | 176.5 | -66 | 167.1 | 0 | 0 | 0 | 110.3 | F207 T208 V213 V214 L215 P234 | F207-I211 HydrophobicContact CD1-CD1 3.81Å; F207-I211 HydrophobicContact CD1-CG1 4.43Å; F207-I211 HydrophobicContact CE1-CD1 3.57Å; F207-I211 HydrophobicContact CE1-CG1 4.21Å; F207-I211 HydrophobicContact CZ-CD1 4.36Å; F207-I211 WeakPolarHBondContact O-CG1 3.43Å; F207-I211 PolarHBondContact O-N 3.26Å; T208-I211 PolarHBondContact O-N 2.84Å; I211-V213 VanDerWaalsContact C-N 3.34Å; I211-V213 PolarHBondContact O-N 2.89Å; I211-V214 PolarHBondContact O-N 2.88Å; I211-L215 HydrophobicContact CG2-CD1 3.83Å; I211-L215 HydrophobicContact CG2-CG 4.22Å; I211-L215 WeakPolarHBondContact O-CB 3.5Å; I211-L215 VanDerWaalsContact O-CG 3.28Å; I211-L215 WeakPolarHBondContact O-CG 3.31Å; I211-L215 PolarHBondContact O-N 2.92Å; I211-P234 HydrophobicContact CG2-CB 4.45Å; I211-P234 HydrophobicContact CG2-CG 4.08Å |
| 212 | F | 95.5 | Very high | 93 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 9% | 0.092 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54 | -49.8 | 174.7 | 162.9 | -106.5 | 0 | 0 | 0 | 111.8 | T208 F209 L210 V214 L215 L216 I231 F232 P234 L235 | T208-F212 PolarHBondContact O-N 2.87Å; T208-F212 VanDerWaalsContact O-N 3.1Å; F209-F212 HydrophobicContact CD2-CD1 4.1Å; F209-F212 AromaticContact CE2-CD1 3.98Å; F209-F212 HydrophobicContact CE2-CD1 3.98Å; F209-F212 HydrophobicContact CE2-CE1 4.34Å; F209-F212 WeakPolarHBondContact O-CB 3.43Å; F209-F212 PolarHBondContact O-N 2.98Å; L210-F212 VanDerWaalsContact C-N 3.31Å; L210-F212 PolarHBondContact O-N 3.21Å; F212-V214 PolarHBondContact O-N 3.34Å; F212-L215 PolarHBondContact O-N 2.92Å; F212-L216 HydrophobicContact CE1-CD2 4.18Å; F212-L216 HydrophobicContact CZ-CD2 3.86Å; F212-L216 VanDerWaalsContact O-CB 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.47Å; F212-L216 PolarHBondContact O-N 3.38Å; F212-I231 HydrophobicContact CD2-CG2 4.42Å; F212-I231 VanDerWaalsContact CD2-O 3.3Å; F212-I231 WeakPolarHBondContact CD2-O 3.26Å; F212-I231 HydrophobicContact CE2-CG2 4.37Å; F212-F232 HydrophobicContact CE2-CD1 4.39Å; F212-F232 HydrophobicContact CE2-CG 4.48Å; F212-P234 HydrophobicContact CB-CB 4.17Å; F212-L235 HydrophobicContact CB-CB 4.45Å; F212-L235 HydrophobicContact CD1-CB 4.45Å; F212-L235 HydrophobicContact CD1-CD1 4.07Å; F212-L235 HydrophobicContact CD2-CB 3.72Å; F212-L235 HydrophobicContact CD2-CD2 4.44Å; F212-L235 HydrophobicContact CE1-CD1 4.15Å; F212-L235 HydrophobicContact CE1-CD2 4.24Å; F212-L235 HydrophobicContact CE2-CB 4.03Å; F212-L235 HydrophobicContact CE2-CD2 3.94Å; F212-L235 HydrophobicContact CE2-CG 4.49Å; F212-L235 HydrophobicContact CG-CB 3.95Å; F212-L235 HydrophobicContact CG-CD1 4.38Å; F212-L235 HydrophobicContact CZ-CD2 3.82Å |
| 213 | V | 95.1 | Very high | 93 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | -178.5 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | F164 W165 F209 L210 I211 L216 I217 | F164-V213 HydrophobicContact CD1-CG1 4.33Å; F164-V213 HydrophobicContact CE1-CB 4.29Å; F164-V213 HydrophobicContact CE1-CG1 3.74Å; F164-V213 HydrophobicContact CE1-CG2 4.01Å; F164-V213 HydrophobicContact CZ-CG2 4.02Å; W165-V213 HydrophobicContact CH2-CG1 3.87Å; W165-V213 HydrophobicContact CZ2-CG1 4.35Å; W165-V213 HydrophobicContact CZ3-CG1 4.34Å; F209-V213 HydrophobicContact CD1-CG2 4.48Å; F209-V213 HydrophobicContact CE1-CG2 4.13Å; F209-V213 HydrophobicContact CE2-CG2 4.31Å; F209-V213 HydrophobicContact CZ-CG2 4.02Å; F209-V213 WeakPolarHBondContact O-CG2 3.34Å; F209-V213 PolarHBondContact O-N 3.35Å; L210-V213 PolarHBondContact O-N 3.48Å; L210-V213 VanDerWaalsContact O-N 3.12Å; I211-V213 VanDerWaalsContact C-N 3.34Å; I211-V213 PolarHBondContact O-N 2.89Å; V213-L216 PolarHBondContact O-N 3.42Å; V213-I217 HydrophobicContact CG1-CD1 3.59Å; V213-I217 HydrophobicContact CG1-CG1 4.34Å; V213-I217 WeakPolarHBondContact O-CB 3.45Å; V213-I217 VanDerWaalsContact O-CD1 3.32Å; V213-I217 WeakPolarHBondContact O-CD1 3.39Å; V213-I217 WeakPolarHBondContact O-CG1 3.32Å; V213-I217 PolarHBondContact O-N 3.49Å |
| 214 | V | 95.4 | Very high | 92.6 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | W165 L210 I211 F212 L216 I217 C218 | W165-V214 HydrophobicContact CH2-CG2 3.53Å; W165-V214 HydrophobicContact CZ2-CG2 4.48Å; W165-V214 HydrophobicContact CZ3-CG2 4.15Å; L210-V214 HydrophobicContact CD2-CG2 3.64Å; L210-V214 HydrophobicContact CG-CG2 4.49Å; L210-V214 WeakPolarHBondContact O-CG2 3.31Å; L210-V214 PolarHBondContact O-N 3.3Å; I211-V214 PolarHBondContact O-N 2.88Å; F212-V214 PolarHBondContact O-N 3.34Å; V214-L216 VanDerWaalsContact C-N 3.33Å; V214-L216 PolarHBondContact O-N 3.25Å; V214-I217 PolarHBondContact O-N 3.47Å; V214-C218 PolarHBondContact O-N 3.24Å; V214-C218 PolarHBondContact O-SG 3.49Å; V214-C218 VanDerWaalsContact O-SG 3.34Å |
| 215 | L | 95.1 | Very high | 92.2 | Very high | 34 Ų | 34 | 57.4 Ų | 57.4 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 179.7 | -69.9 | 176.7 | 0 | 0 | 0 | 112.1 | I211 F212 I217 C218 R219 F226 I231 P234 | I211-L215 HydrophobicContact CG2-CD1 3.83Å; I211-L215 HydrophobicContact CG2-CG 4.22Å; I211-L215 WeakPolarHBondContact O-CB 3.5Å; I211-L215 VanDerWaalsContact O-CG 3.28Å; I211-L215 WeakPolarHBondContact O-CG 3.31Å; I211-L215 PolarHBondContact O-N 2.92Å; F212-L215 PolarHBondContact O-N 2.92Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-C218 PolarHBondContact O-N 2.88Å; L215-R219 PolarHBondContact O-N 2.68Å; L215-F226 HydrophobicContact CD2-CD2 3.57Å; L215-F226 HydrophobicContact CD2-CE2 3.59Å; L215-F226 HydrophobicContact CD2-CG 4.41Å; L215-F226 HydrophobicContact CD2-CZ 4.45Å; L215-I231 HydrophobicContact CB-CB 4.47Å; L215-I231 HydrophobicContact CB-CG1 4.21Å; L215-I231 HydrophobicContact CB-CG2 4.08Å; L215-P234 HydrophobicContact CD1-CG 4.15Å |
| 216 | L | 94 | Very high | 92 | Very high | 46 Ų | 46 | 60.4 Ų | 60.4 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.9 | -177 | 65.1 | 0 | 0 | 0 | 110.6 | F212 V213 V214 R219 L220 I231 | F212-L216 HydrophobicContact CE1-CD2 4.18Å; F212-L216 HydrophobicContact CZ-CD2 3.86Å; F212-L216 VanDerWaalsContact O-CB 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.47Å; F212-L216 PolarHBondContact O-N 3.38Å; V213-L216 PolarHBondContact O-N 3.42Å; V214-L216 VanDerWaalsContact C-N 3.33Å; V214-L216 PolarHBondContact O-N 3.25Å; L216-R219 WeakPolarHBondContact O-CB 3.32Å; L216-R219 PolarHBondContact O-N 3.32Å; L216-L220 HydrophobicContact CD1-CD1 3.59Å; L216-L220 HydrophobicContact CG-CD1 3.88Å; L216-L220 WeakPolarHBondContact O-CB 3.33Å; L216-L220 WeakPolarHBondContact O-CD1 3.37Å; L216-L220 PolarHBondContact O-N 2.9Å; L216-I231 HydrophobicContact CB-CG2 4.16Å; L216-I231 HydrophobicContact CD1-CG2 4.35Å |
| 217 | I | 94.7 | Very high | 92 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 179.8 | -69.9 | 163.4 | 0 | 0 | 0 | 111.9 | W157 V158 L161 W165 V213 V214 L215 R219 L220 D221 | W157-I217 HydrophobicContact CB-CG2 4Å; V158-I217 HydrophobicContact CB-CG2 4.29Å; V158-I217 HydrophobicContact CG2-CG2 3.43Å; V158-I217 VanDerWaalsContact CG2-CG2 3.43Å; L161-I217 HydrophobicContact CB-CD1 4.42Å; L161-I217 HydrophobicContact CD1-CD1 3.29Å; L161-I217 HydrophobicContact CD1-CG1 3.41Å; L161-I217 VanDerWaalsContact CD1-CG1 3.41Å; L161-I217 HydrophobicContact CG-CD1 4.46Å; W165-I217 HydrophobicContact CH2-CD1 3.79Å; W165-I217 HydrophobicContact CZ2-CD1 3.13Å; V213-I217 HydrophobicContact CG1-CD1 3.59Å; V213-I217 HydrophobicContact CG1-CG1 4.34Å; V213-I217 WeakPolarHBondContact O-CB 3.45Å; V213-I217 VanDerWaalsContact O-CD1 3.32Å; V213-I217 WeakPolarHBondContact O-CD1 3.39Å; V213-I217 WeakPolarHBondContact O-CG1 3.32Å; V213-I217 PolarHBondContact O-N 3.49Å; V214-I217 PolarHBondContact O-N 3.47Å; L215-I217 VanDerWaalsContact C-N 3.34Å; I217-R219 PolarHBondContact O-N 2.88Å; I217-L220 PolarHBondContact O-N 3.35Å; I217-L220 VanDerWaalsContact O-N 3.1Å; I217-D221 WeakPolarHBondContact O-CB 3.49Å; I217-D221 PolarHBondContact O-N 3.42Å |
| 218 | C | 93.6 | Very high | 91.9 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.4 | -43.9 | 175.8 | -68.8 | 0 | 0 | 0 | 0 | 111 | V214 L215 D221 I223 | V214-C218 PolarHBondContact O-N 3.24Å; V214-C218 PolarHBondContact O-SG 3.49Å; V214-C218 VanDerWaalsContact O-SG 3.34Å; L215-C218 PolarHBondContact O-N 2.88Å; C218-D221 PolarHBondContact O-N 3.4Å; C218-I223 HydrophobicContact CB-CB 4.45Å; C218-I223 WeakPolarHBondContact O-CA 3.45Å; C218-I223 VanDerWaalsContact O-CB 3.26Å; C218-I223 WeakPolarHBondContact O-CB 3.33Å; C218-I223 PolarHBondContact O-N 2.96Å |
| 219 | R | 92.5 | Very high | 91.7 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 177.6 | -174.7 | 67.4 | 179.4 | -173.5 | 3.7 | 112.5 | L215 L216 I217 D221 N222 F226 Y228 I231 | L215-R219 PolarHBondContact O-N 2.68Å; L216-R219 WeakPolarHBondContact O-CB 3.32Å; L216-R219 PolarHBondContact O-N 3.32Å; I217-R219 PolarHBondContact O-N 2.88Å; R219-D221 VanDerWaalsContact C-N 3.28Å; R219-D221 PolarHBondContact O-N 3.49Å; R219-N222 PolarHBondContact O-N 2.94Å; R219-N222 VanDerWaalsContact O-N 3.07Å; R219-F226 PolarHBondContact NH1-O 2.9Å; R219-F226 VanDerWaalsContact NH1-O 3.16Å; R219-Y228 HydrophobicContact CG-CE1 3.92Å; R219-I231 HydrophobicContact CB-CD1 3.51Å; R219-I231 HydrophobicContact CG-CD1 3.63Å |
| 220 | L | 92.2 | Very high | 91.7 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.1 | -32 | 178.6 | -97.9 | 69.5 | 0 | 0 | 0 | 112.1 | W157 L216 I217 N222 | W157-L220 HydrophobicContact CB-CB 4.21Å; W157-L220 HydrophobicContact CD2-CB 4Å; W157-L220 HydrophobicContact CD2-CD2 3.69Å; W157-L220 HydrophobicContact CD2-CG 4.3Å; W157-L220 HydrophobicContact CE3-CD2 3.83Å; W157-L220 HydrophobicContact CG-CB 3.65Å; W157-L220 HydrophobicContact CG-CD2 4.17Å; W157-L220 HydrophobicContact CG-CG 4.45Å; W157-L220 HydrophobicContact CH2-CD2 4.19Å; W157-L220 HydrophobicContact CZ2-CD2 4.07Å; W157-L220 HydrophobicContact CZ3-CD2 4.08Å; W157-L220 PolarHBondContact NE1-O 2.98Å; L216-L220 HydrophobicContact CD1-CD1 3.59Å; L216-L220 HydrophobicContact CG-CD1 3.88Å; L216-L220 WeakPolarHBondContact O-CB 3.33Å; L216-L220 WeakPolarHBondContact O-CD1 3.37Å; L216-L220 PolarHBondContact O-N 2.9Å; I217-L220 PolarHBondContact O-N 3.35Å; I217-L220 VanDerWaalsContact O-N 3.1Å; L220-N222 PolarHBondContact O-N 3.38Å |
| 221 | D | 92.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 62.8 Ų | 62.8 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 15.6 | 171.9 | -81.4 | -34.5 | 0 | 0 | 0 | 113.5 | T156 W157 V158 I217 C218 R219 I223 | T156-D221 VanDerWaalsContact CA-OD1 3.31Å; T156-D221 WeakPolarHBondContact CA-OD1 3.48Å; T156-D221 WeakPolarHBondContact CB-OD1 3.33Å; W157-D221 PolarHBondContact N-OD1 3.42Å; W157-D221 PolarHBondContact N-OD2 2.91Å; V158-D221 PolarHBondContact N-OD2 3.46Å; I217-D221 WeakPolarHBondContact O-CB 3.49Å; I217-D221 PolarHBondContact O-N 3.42Å; C218-D221 PolarHBondContact O-N 3.4Å; R219-D221 VanDerWaalsContact C-N 3.28Å; R219-D221 PolarHBondContact O-N 3.49Å; D221-I223 HydrophobicContact CB-CG1 4.49Å; D221-I223 PolarHBondContact O-N 3.4Å |
| 222 | N | 88.3 | Confident | 91.6 | Very high | 131 Ų | 131 | 60.9 Ų | 60.9 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 15.4 | -180 | -59.2 | -64.4 | 0 | 0 | 0 | 115.2 | R219 L220 K224 | R219-N222 PolarHBondContact O-N 2.94Å; R219-N222 VanDerWaalsContact O-N 3.07Å; L220-N222 PolarHBondContact O-N 3.38Å; N222-K224 PolarHBondContact O-N 3.36Å; N222-K224 VanDerWaalsContact O-N 3.13Å |
| 223 | I | 89.5 | Confident | 91.6 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 46% | 0.456 | 32% | 0.324 | S | S | . | . | trans | -83.5 | 89 | 172.5 | -51.6 | 172.9 | 0 | 0 | 0 | 107.5 | C218 D221 L225 | C218-I223 HydrophobicContact CB-CB 4.45Å; C218-I223 WeakPolarHBondContact O-CA 3.45Å; C218-I223 VanDerWaalsContact O-CB 3.26Å; C218-I223 WeakPolarHBondContact O-CB 3.33Å; C218-I223 PolarHBondContact O-N 2.96Å; D221-I223 HydrophobicContact CB-CG1 4.49Å; D221-I223 PolarHBondContact O-N 3.4Å; I223-L225 HydrophobicContact CG2-CD1 3.71Å; I223-L225 HydrophobicContact CG2-CG 3.82Å; I223-L225 PolarHBondContact O-N 2.66Å | ||
| 224 | K | 81.6 | Confident | 91.6 | Very high | 159 Ų | 159 | 64.6 Ų | 64.6 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | trans | -77.9 | 62.9 | -174.7 | -61.1 | -174.9 | -176.9 | 175.7 | 0 | 112.7 | N222 | N222-K224 PolarHBondContact O-N 3.36Å; N222-K224 VanDerWaalsContact O-N 3.13Å | ||
| 225 | L | 82.8 | Confident | 91.5 | Very high | 117 Ų | 117 | 62.8 Ų | 62.8 | 61% | 0.613 | 31% | 0.313 | S | S | * | . | trans | -80.2 | -34.2 | 175.4 | -70.5 | 164.7 | 0 | 0 | 0 | 112.6 | I223 | I223-L225 HydrophobicContact CG2-CD1 3.71Å; I223-L225 HydrophobicContact CG2-CG 3.82Å; I223-L225 PolarHBondContact O-N 2.66Å | ||
| 226 | F | 88.5 | Confident | 91.4 | Very high | 88 Ų | 88 | 63.4 Ų | 63.4 | 39% | 0.386 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -131.8 | 152.9 | -169.9 | -57.6 | -71.1 | 0 | 0 | 0 | 112.1 | L215 R219 E230 I231 | L215-F226 HydrophobicContact CD2-CD2 3.57Å; L215-F226 HydrophobicContact CD2-CE2 3.59Å; L215-F226 HydrophobicContact CD2-CG 4.41Å; L215-F226 HydrophobicContact CD2-CZ 4.45Å; R219-F226 PolarHBondContact NH1-O 2.9Å; R219-F226 VanDerWaalsContact NH1-O 3.16Å; F226-E230 WeakPolarHBondContact CA-OE2 3.33Å; F226-E230 HydrophobicContact CB-CB 4.21Å; F226-E230 WeakPolarHBondContact CB-OE2 3.41Å; F226-I231 HydrophobicContact CB-CD1 4.42Å; F226-I231 HydrophobicContact CB-CG1 3.97Å |
| 227 | T | 90.3 | Very high | 91.4 | Very high | 71 Ų | 71 | 65.3 Ų | 65.3 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | trans | -78.1 | 159.9 | 172.4 | 62 | 0 | 0 | 0 | 0 | 111 | N229 E230 I231 | T227-N229 PolarHBondContact O-N 3.36Å; T227-E230 PolarHBondContact N-OE2 3.26Å; T227-E230 PolarHBondContact O-N 3.39Å; T227-E230 VanDerWaalsContact O-N 3.16Å; T227-E230 VanDerWaalsContact OG1-CD 3.29Å; T227-E230 WeakPolarHBondContact OG1-CG 3.45Å; T227-E230 PolarHBondContact OG1-OE2 2.88Å; T227-I231 VanDerWaalsContact O-CG1 3.32Å; T227-I231 WeakPolarHBondContact O-CG1 3.47Å; T227-I231 PolarHBondContact O-N 3.31Å | ||
| 228 | Y | 90.4 | Very high | 91.4 | Very high | 80 Ų | 80 | 65.3 Ų | 65.3 | 31% | 0.314 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.5 | -33.1 | 177.9 | -70.9 | -67.5 | 0 | 0 | 0 | 112.3 | I32 R219 E230 I231 F232 | I32-Y228 HydrophobicContact CG2-CD1 3.99Å; I32-Y228 HydrophobicContact CG2-CD2 3.31Å; I32-Y228 HydrophobicContact CG2-CE1 4.32Å; I32-Y228 HydrophobicContact CG2-CE2 3.67Å; I32-Y228 HydrophobicContact CG2-CG 3.48Å; I32-Y228 VanDerWaalsContact CG2-CG 3.48Å; R219-Y228 HydrophobicContact CG-CE1 3.92Å; Y228-E230 PolarHBondContact O-N 2.96Å; Y228-I231 HydrophobicContact CD1-CD1 4.42Å; Y228-I231 PolarHBondContact O-N 3.42Å; Y228-F232 HydrophobicContact CD1-CE2 4.35Å; Y228-F232 VanDerWaalsContact O-CD2 3.24Å; Y228-F232 WeakPolarHBondContact O-CD2 3.27Å; Y228-F232 PolarHBondContact O-N 3.28Å |
| 229 | N | 91.7 | Very high | 91.3 | Very high | 67 Ų | 67 | 64 Ų | 64 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 175 | -68.5 | -24 | 0 | 0 | 0 | 112.5 | L29 N33 T227 L233 | L29-N229 WeakPolarHBondContact CD1-OD1 3.46Å; L29-N229 WeakPolarHBondContact CD2-OD1 3.4Å; N33-N229 PolarHBondContact ND2-OD1 3.45Å; T227-N229 PolarHBondContact O-N 3.36Å; N229-L233 WeakPolarHBondContact O-CB 3.3Å; N229-L233 PolarHBondContact O-N 3.09Å |
| 230 | E | 93.2 | Very high | 91.2 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 178.8 | -68.4 | 162.2 | 165.3 | 0 | 0 | 111.7 | F226 T227 Y228 L233 P234 | F226-E230 WeakPolarHBondContact CA-OE2 3.33Å; F226-E230 HydrophobicContact CB-CB 4.21Å; F226-E230 WeakPolarHBondContact CB-OE2 3.41Å; T227-E230 PolarHBondContact N-OE2 3.26Å; T227-E230 PolarHBondContact O-N 3.39Å; T227-E230 VanDerWaalsContact O-N 3.16Å; T227-E230 VanDerWaalsContact OG1-CD 3.29Å; T227-E230 WeakPolarHBondContact OG1-CG 3.45Å; T227-E230 PolarHBondContact OG1-OE2 2.88Å; Y228-E230 PolarHBondContact O-N 2.96Å; E230-L233 PolarHBondContact O-N 3.22Å; E230-P234 VanDerWaalsContact O-CD 3.31Å; E230-P234 WeakPolarHBondContact O-CD 3.45Å |
| 231 | I | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 178.3 | -64.2 | 163.3 | 0 | 0 | 0 | 110.6 | F212 L215 L216 R219 F226 T227 Y228 L233 P234 | F212-I231 HydrophobicContact CD2-CG2 4.42Å; F212-I231 VanDerWaalsContact CD2-O 3.3Å; F212-I231 WeakPolarHBondContact CD2-O 3.26Å; F212-I231 HydrophobicContact CE2-CG2 4.37Å; L215-I231 HydrophobicContact CB-CB 4.47Å; L215-I231 HydrophobicContact CB-CG1 4.21Å; L215-I231 HydrophobicContact CB-CG2 4.08Å; L216-I231 HydrophobicContact CB-CG2 4.16Å; L216-I231 HydrophobicContact CD1-CG2 4.35Å; R219-I231 HydrophobicContact CB-CD1 3.51Å; R219-I231 HydrophobicContact CG-CD1 3.63Å; F226-I231 HydrophobicContact CB-CD1 4.42Å; F226-I231 HydrophobicContact CB-CG1 3.97Å; T227-I231 VanDerWaalsContact O-CG1 3.32Å; T227-I231 WeakPolarHBondContact O-CG1 3.47Å; T227-I231 PolarHBondContact O-N 3.31Å; Y228-I231 HydrophobicContact CD1-CD1 4.42Å; Y228-I231 PolarHBondContact O-N 3.42Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-P234 WeakPolarHBondContact O-CD 3.44Å |
| 232 | F | 94 | Very high | 91 | Very high | 20 Ų | 20 | 68.4 Ų | 68.4 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.8 | -13.7 | -178.1 | -82.4 | -102.4 | 0 | 0 | 0 | 113.6 | L25 L29 I32 F212 Y228 L235 F236 | L25-F232 HydrophobicContact CD2-CE1 4.36Å; L29-F232 HydrophobicContact CD1-CB 4.19Å; L29-F232 HydrophobicContact CD1-CD2 4.08Å; L29-F232 HydrophobicContact CD1-CG 4.14Å; I32-F232 HydrophobicContact CD1-CE2 4.29Å; I32-F232 HydrophobicContact CD1-CZ 4.12Å; F212-F232 HydrophobicContact CE2-CD1 4.39Å; F212-F232 HydrophobicContact CE2-CG 4.48Å; Y228-F232 HydrophobicContact CD1-CE2 4.35Å; Y228-F232 VanDerWaalsContact O-CD2 3.24Å; Y228-F232 WeakPolarHBondContact O-CD2 3.27Å; Y228-F232 PolarHBondContact O-N 3.28Å; F232-L235 HydrophobicContact CD1-CD2 4Å; F232-L235 HydrophobicContact CE1-CD2 4.34Å; F232-L235 WeakPolarHBondContact O-CB 3.34Å; F232-L235 PolarHBondContact O-N 3.48Å; F232-L235 VanDerWaalsContact O-N 3.1Å; F232-F236 HydrophobicContact CB-CD2 4.32Å; F232-F236 HydrophobicContact CB-CE2 4.02Å; F232-F236 WeakPolarHBondContact O-CD2 3.31Å; F232-F236 PolarHBondContact O-N 2.86Å |
| 233 | L | 93.5 | Very high | 91.1 | Very high | 97 Ų | 97 | 64 Ų | 64 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.9 | -47.9 | -178 | -178.9 | 155.9 | 0 | 0 | 0 | 113.5 | N229 E230 I231 L235 F236 I237 | N229-L233 WeakPolarHBondContact O-CB 3.3Å; N229-L233 PolarHBondContact O-N 3.09Å; E230-L233 PolarHBondContact O-N 3.22Å; I231-L233 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 2.92Å; L233-F236 PolarHBondContact O-N 3.27Å; L233-F236 VanDerWaalsContact O-N 3.14Å; L233-I237 HydrophobicContact CD2-CD1 3.52Å; L233-I237 HydrophobicContact CD2-CG1 4.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.32Å; L233-I237 PolarHBondContact O-N 3.49Å |
| 234 | P | 95.3 | Very high | 91 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.9 | -33.8 | 174 | -23.7 | 32.7 | 0 | 0 | 0 | 113.1 | T208 I211 F212 L215 E230 I231 I237 C238 | T208-P234 HydrophobicContact CG2-CB 3.79Å; T208-P234 VanDerWaalsContact CG2-O 3.29Å; T208-P234 WeakPolarHBondContact CG2-O 3.29Å; I211-P234 HydrophobicContact CG2-CB 4.45Å; I211-P234 HydrophobicContact CG2-CG 4.08Å; F212-P234 HydrophobicContact CB-CB 4.17Å; L215-P234 HydrophobicContact CD1-CG 4.15Å; E230-P234 VanDerWaalsContact O-CD 3.31Å; E230-P234 WeakPolarHBondContact O-CD 3.45Å; I231-P234 WeakPolarHBondContact O-CD 3.44Å; P234-I237 PolarHBondContact O-N 3.39Å; P234-C238 PolarHBondContact O-N 3.02Å; P234-C238 PolarHBondContact O-SG 2.98Å |
| 235 | L | 94 | Very high | 91.2 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.105 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 175.7 | -174.9 | 68.8 | 0 | 0 | 0 | 111.5 | L25 F209 F212 F232 L233 I237 C238 V239 | L25-L235 HydrophobicContact CD1-CD2 3.63Å; L25-L235 HydrophobicContact CD1-CG 3.91Å; L25-L235 HydrophobicContact CD2-CD2 3.55Å; L25-L235 HydrophobicContact CG-CD2 4.24Å; F209-L235 HydrophobicContact CD2-CD1 4.21Å; F209-L235 HydrophobicContact CE2-CD1 4.3Å; F212-L235 HydrophobicContact CB-CB 4.45Å; F212-L235 HydrophobicContact CD1-CB 4.45Å; F212-L235 HydrophobicContact CD1-CD1 4.07Å; F212-L235 HydrophobicContact CD2-CB 3.72Å; F212-L235 HydrophobicContact CD2-CD2 4.44Å; F212-L235 HydrophobicContact CE1-CD1 4.15Å; F212-L235 HydrophobicContact CE1-CD2 4.24Å; F212-L235 HydrophobicContact CE2-CB 4.03Å; F212-L235 HydrophobicContact CE2-CD2 3.94Å; F212-L235 HydrophobicContact CE2-CG 4.49Å; F212-L235 HydrophobicContact CG-CB 3.95Å; F212-L235 HydrophobicContact CG-CD1 4.38Å; F212-L235 HydrophobicContact CZ-CD2 3.82Å; F232-L235 HydrophobicContact CD1-CD2 4Å; F232-L235 HydrophobicContact CE1-CD2 4.34Å; F232-L235 WeakPolarHBondContact O-CB 3.34Å; F232-L235 PolarHBondContact O-N 3.48Å; F232-L235 VanDerWaalsContact O-N 3.1Å; L233-L235 PolarHBondContact O-N 2.92Å; L235-I237 VanDerWaalsContact C-N 3.33Å; L235-I237 PolarHBondContact O-N 3.44Å; L235-C238 WeakPolarHBondContact O-CB 3.29Å; L235-C238 PolarHBondContact O-N 3.41Å; L235-V239 WeakPolarHBondContact O-CG2 3.16Å; L235-V239 PolarHBondContact O-N 2.79Å |
| 236 | F | 93.8 | Very high | 91.3 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 21% | 0.211 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 173.3 | -76.7 | -68 | 0 | 0 | 0 | 111.9 | L25 I26 L29 F232 L233 C238 V239 L240 | L25-F236 HydrophobicContact CB-CE1 3.95Å; L25-F236 HydrophobicContact CB-CZ 4.04Å; I26-F236 HydrophobicContact CG1-CE1 3.71Å; I26-F236 HydrophobicContact CG1-CZ 4.06Å; L29-F236 HydrophobicContact CD2-CE2 3.9Å; L29-F236 HydrophobicContact CD2-CZ 4.36Å; F232-F236 HydrophobicContact CB-CD2 4.32Å; F232-F236 HydrophobicContact CB-CE2 4.02Å; F232-F236 WeakPolarHBondContact O-CD2 3.31Å; F232-F236 PolarHBondContact O-N 2.86Å; L233-F236 PolarHBondContact O-N 3.27Å; L233-F236 VanDerWaalsContact O-N 3.14Å; F236-C238 VanDerWaalsContact C-N 3.31Å; F236-C238 PolarHBondContact O-N 3.26Å; F236-V239 PolarHBondContact O-N 2.82Å; F236-L240 WeakPolarHBondContact O-CB 3.33Å; F236-L240 VanDerWaalsContact O-CG 3.27Å; F236-L240 WeakPolarHBondContact O-CG 3.28Å; F236-L240 PolarHBondContact O-N 3.17Å |
| 237 | I | 93.5 | Very high | 91.2 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 174.5 | -65.4 | 174.1 | 0 | 0 | 0 | 110.5 | T208 L233 P234 L235 V239 L240 F241 | T208-I237 HydrophobicContact CG2-CB 4.28Å; T208-I237 HydrophobicContact CG2-CG2 4.2Å; L233-I237 HydrophobicContact CD2-CD1 3.52Å; L233-I237 HydrophobicContact CD2-CG1 4.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.32Å; L233-I237 PolarHBondContact O-N 3.49Å; P234-I237 PolarHBondContact O-N 3.39Å; L235-I237 VanDerWaalsContact C-N 3.33Å; L235-I237 PolarHBondContact O-N 3.44Å; I237-V239 PolarHBondContact O-N 2.94Å; I237-L240 PolarHBondContact O-N 2.86Å; I237-F241 WeakPolarHBondContact O-CB 3.31Å; I237-F241 PolarHBondContact O-N 2.79Å |
| 238 | C | 93.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 176.4 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | I205 T208 F209 P234 L235 F236 F241 L242 | I205-C238 HydrophobicContact CG2-CB 4.42Å; T208-C238 WeakPolarHBondContact CB-SG 3.27Å; T208-C238 WeakPolarHBondContact CG2-SG 3.34Å; F209-C238 PolarHBondContact N-SG 3.26Å; P234-C238 PolarHBondContact O-N 3.02Å; P234-C238 PolarHBondContact O-SG 2.98Å; L235-C238 WeakPolarHBondContact O-CB 3.29Å; L235-C238 PolarHBondContact O-N 3.41Å; F236-C238 VanDerWaalsContact C-N 3.31Å; F236-C238 PolarHBondContact O-N 3.26Å; C238-F241 PolarHBondContact O-N 3.11Å; C238-L242 WeakPolarHBondContact O-CB 3.38Å; C238-L242 VanDerWaalsContact O-CG 3.27Å; C238-L242 WeakPolarHBondContact O-CG 3.27Å; C238-L242 PolarHBondContact O-N 2.91Å |
| 239 | V | 92.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | -178.2 | 176 | 0 | 0 | 0 | 0 | 111.2 | L21 L25 L235 F236 I237 L242 M243 | L21-V239 HydrophobicContact CD2-CG1 4.25Å; L21-V239 HydrophobicContact CD2-CG2 3.54Å; L25-V239 HydrophobicContact CD1-CG2 3.99Å; L235-V239 WeakPolarHBondContact O-CG2 3.16Å; L235-V239 PolarHBondContact O-N 2.79Å; F236-V239 PolarHBondContact O-N 2.82Å; I237-V239 PolarHBondContact O-N 2.94Å; V239-L242 PolarHBondContact O-N 3.41Å; V239-M243 WeakPolarHBondContact O-CB 3.24Å; V239-M243 VanDerWaalsContact O-CG 3.29Å; V239-M243 WeakPolarHBondContact O-CG 3.29Å; V239-M243 PolarHBondContact O-N 2.86Å |
| 240 | L | 90.8 | Very high | 89.7 | Confident | 111 Ų | 111 | 50.8 Ų | 50.8 | 58% | 0.581 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 175.1 | -72 | 174.8 | 0 | 0 | 0 | 111.5 | F236 I237 M243 I244 | F236-L240 WeakPolarHBondContact O-CB 3.33Å; F236-L240 VanDerWaalsContact O-CG 3.27Å; F236-L240 WeakPolarHBondContact O-CG 3.28Å; F236-L240 PolarHBondContact O-N 3.17Å; I237-L240 PolarHBondContact O-N 2.86Å; L240-M243 WeakPolarHBondContact O-CB 3.49Å; L240-M243 PolarHBondContact O-N 3.48Å; L240-I244 WeakPolarHBondContact O-CG1 3.09Å; L240-I244 PolarHBondContact O-N 3.01Å |
| 241 | F | 90.6 | Very high | 88.9 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 30% | 0.303 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 178.5 | -162 | -92.5 | 0 | 0 | 0 | 111.7 | I205 I237 C238 M243 I244 M245 | I205-F241 HydrophobicContact CD1-CD1 3.43Å; I205-F241 VanDerWaalsContact CD1-CD1 3.43Å; I205-F241 HydrophobicContact CD1-CE1 3.92Å; I205-F241 HydrophobicContact CG1-CB 4.35Å; I205-F241 HydrophobicContact CG1-CD1 3.33Å; I205-F241 HydrophobicContact CG1-CE1 3.96Å; I205-F241 HydrophobicContact CG1-CG 4.19Å; I237-F241 WeakPolarHBondContact O-CB 3.31Å; I237-F241 PolarHBondContact O-N 2.79Å; C238-F241 PolarHBondContact O-N 3.11Å; F241-M243 VanDerWaalsContact C-N 3.33Å; F241-M243 PolarHBondContact O-N 2.97Å; F241-I244 PolarHBondContact O-N 3.15Å; F241-M245 HydrophobicContact CD1-CG 3.91Å; F241-M245 HydrophobicContact CE1-CG 3.75Å; F241-M245 HydrophobicContact CE1-SD 4.16Å; F241-M245 HydrophobicContact CZ-CG 4.5Å; F241-M245 HydrophobicContact CZ-SD 4.47Å; F241-M245 WeakPolarHBondContact O-CB 3.44Å; F241-M245 VanDerWaalsContact O-CG 3.3Å; F241-M245 WeakPolarHBondContact O-CG 3.33Å; F241-M245 PolarHBondContact O-N 3.45Å |
| 242 | L | 90.4 | Very high | 88 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 171.5 | -74.5 | 170.4 | 0 | 0 | 0 | 112.1 | L18 I205 C238 V239 M245 T246 | L18-L242 HydrophobicContact CD1-CB 4.06Å; L18-L242 HydrophobicContact CD2-CB 4.27Å; L18-L242 HydrophobicContact CD2-CD1 4.31Å; I205-L242 HydrophobicContact CD1-CD2 3.67Å; I205-L242 HydrophobicContact CD1-CG 4.13Å; I205-L242 HydrophobicContact CG2-CD2 4.36Å; I205-L242 HydrophobicContact CG2-CG 4.3Å; C238-L242 WeakPolarHBondContact O-CB 3.38Å; C238-L242 VanDerWaalsContact O-CG 3.27Å; C238-L242 WeakPolarHBondContact O-CG 3.27Å; C238-L242 PolarHBondContact O-N 2.91Å; V239-L242 PolarHBondContact O-N 3.41Å; L242-M245 PolarHBondContact O-N 2.92Å; L242-T246 VanDerWaalsContact O-CB 3.31Å; L242-T246 WeakPolarHBondContact O-CB 3.42Å; L242-T246 PolarHBondContact O-N 2.86Å; L242-T246 PolarHBondContact O-OG1 3.47Å |
| 243 | M | 88.5 | Confident | 87 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 174.5 | -76.8 | -67.9 | -74.1 | 0 | 0 | 111.3 | L18 V239 L240 F241 M245 T246 I247 | L18-M243 HydrophobicContact CB-CG 4.08Å; L18-M243 HydrophobicContact CB-SD 3.31Å; L18-M243 WeakPolarHBondContact CB-SD 3.43Å; L18-M243 HydrophobicContact CD1-CG 4.37Å; L18-M243 HydrophobicContact CD1-SD 3.91Å; L18-M243 HydrophobicContact CG-SD 4.27Å; V239-M243 WeakPolarHBondContact O-CB 3.24Å; V239-M243 VanDerWaalsContact O-CG 3.29Å; V239-M243 WeakPolarHBondContact O-CG 3.29Å; V239-M243 PolarHBondContact O-N 2.86Å; L240-M243 WeakPolarHBondContact O-CB 3.49Å; L240-M243 PolarHBondContact O-N 3.48Å; F241-M243 VanDerWaalsContact C-N 3.33Å; F241-M243 PolarHBondContact O-N 2.97Å; M243-M245 PolarHBondContact O-N 3.44Å; M243-T246 PolarHBondContact O-N 3.44Å; M243-I247 VanDerWaalsContact O-CG1 3.26Å; M243-I247 WeakPolarHBondContact O-CG1 3.43Å; M243-I247 PolarHBondContact O-N 3.36Å |
| 244 | I | 88.9 | Confident | 86.1 | Confident | 97 Ų | 97 | 54.4 Ų | 54.4 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 176.6 | -68 | 165.2 | 0 | 0 | 0 | 110.1 | L240 F241 T246 I247 S248 | L240-I244 WeakPolarHBondContact O-CG1 3.09Å; L240-I244 PolarHBondContact O-N 3.01Å; F241-I244 PolarHBondContact O-N 3.15Å; I244-T246 VanDerWaalsContact C-N 3.31Å; I244-T246 PolarHBondContact O-N 2.93Å; I244-I247 PolarHBondContact O-N 3.48Å; I244-S248 WeakPolarHBondContact O-CB 3.34Å; I244-S248 PolarHBondContact O-N 2.77Å; I244-S248 PolarHBondContact O-OG 3.46Å |
| 245 | M | 85.4 | Confident | 85.2 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 177.9 | -72.6 | -62 | -70.2 | 0 | 0 | 112.6 | F241 L242 M243 T249 | F241-M245 HydrophobicContact CD1-CG 3.91Å; F241-M245 HydrophobicContact CE1-CG 3.75Å; F241-M245 HydrophobicContact CE1-SD 4.16Å; F241-M245 HydrophobicContact CZ-CG 4.5Å; F241-M245 HydrophobicContact CZ-SD 4.47Å; F241-M245 WeakPolarHBondContact O-CB 3.44Å; F241-M245 VanDerWaalsContact O-CG 3.3Å; F241-M245 WeakPolarHBondContact O-CG 3.33Å; F241-M245 PolarHBondContact O-N 3.45Å; L242-M245 PolarHBondContact O-N 2.92Å; M243-M245 PolarHBondContact O-N 3.44Å; M245-T249 WeakPolarHBondContact O-CB 3.43Å; M245-T249 VanDerWaalsContact O-CG2 3.27Å; M245-T249 WeakPolarHBondContact O-CG2 3.41Å; M245-T249 PolarHBondContact O-N 2.92Å; M245-T249 PolarHBondContact O-OG1 3.44Å |
| 246 | T | 85.4 | Confident | 84 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 10% | 0.104 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | L11 K14 A15 L242 M243 I244 T249 N250 | L11-T246 HydrophobicContact CD1-CG2 3.42Å; L11-T246 VanDerWaalsContact CD1-CG2 3.42Å; L11-T246 HydrophobicContact CG-CG2 4.08Å; K14-T246 HydrophobicContact CB-CG2 4.34Å; A15-T246 HydrophobicContact CB-CG2 3.96Å; L242-T246 VanDerWaalsContact O-CB 3.31Å; L242-T246 WeakPolarHBondContact O-CB 3.42Å; L242-T246 PolarHBondContact O-N 2.86Å; L242-T246 PolarHBondContact O-OG1 3.47Å; M243-T246 PolarHBondContact O-N 3.44Å; I244-T246 VanDerWaalsContact C-N 3.31Å; I244-T246 PolarHBondContact O-N 2.93Å; T246-T249 WeakPolarHBondContact CA-OG1 3.19Å; T246-T249 PolarHBondContact O-OG1 2.95Å; T246-N250 PolarHBondContact O-N 3.31Å; T246-N250 VanDerWaalsContact O-N 3.15Å |
| 247 | I | 85.5 | Confident | 82.6 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 52% | 0.518 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71.9 | -43.8 | 177.7 | -66.3 | 164.3 | 0 | 0 | 0 | 110.6 | M243 I244 T249 N250 W251 | M243-I247 VanDerWaalsContact O-CG1 3.26Å; M243-I247 WeakPolarHBondContact O-CG1 3.43Å; M243-I247 PolarHBondContact O-N 3.36Å; I244-I247 PolarHBondContact O-N 3.48Å; I247-T249 PolarHBondContact O-N 3.37Å; I247-N250 WeakPolarHBondContact O-CB 3.23Å; I247-N250 PolarHBondContact O-N 3.22Å; I247-N250 VanDerWaalsContact O-N 3.11Å; I247-W251 WeakPolarHBondContact O-CB 3.47Å; I247-W251 PolarHBondContact O-N 3.41Å |
| 248 | S | 82.6 | Confident | 81.1 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 177.7 | -66 | 0 | 0 | 0 | 0 | 111.6 | I244 N250 W251 L252 | I244-S248 WeakPolarHBondContact O-CB 3.34Å; I244-S248 PolarHBondContact O-N 2.77Å; I244-S248 PolarHBondContact O-OG 3.46Å; S248-N250 VanDerWaalsContact C-N 3.31Å; S248-N250 PolarHBondContact O-N 2.92Å; S248-W251 PolarHBondContact O-N 3.23Å; S248-L252 WeakPolarHBondContact O-CB 3.5Å; S248-L252 VanDerWaalsContact O-CG 3.26Å; S248-L252 WeakPolarHBondContact O-CG 3.42Å; S248-L252 PolarHBondContact O-N 3.21Å |
| 249 | T | 79.9 | Confident | 79.4 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 27% | 0.27 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 174.2 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | M245 T246 I247 L252 V253 | M245-T249 WeakPolarHBondContact O-CB 3.43Å; M245-T249 VanDerWaalsContact O-CG2 3.27Å; M245-T249 WeakPolarHBondContact O-CG2 3.41Å; M245-T249 PolarHBondContact O-N 2.92Å; M245-T249 PolarHBondContact O-OG1 3.44Å; T246-T249 WeakPolarHBondContact CA-OG1 3.19Å; T246-T249 PolarHBondContact O-OG1 2.95Å; I247-T249 PolarHBondContact O-N 3.37Å; T249-L252 PolarHBondContact O-N 3.23Å; T249-V253 WeakPolarHBondContact O-CB 3.26Å; T249-V253 VanDerWaalsContact O-CG2 3.24Å; T249-V253 WeakPolarHBondContact O-CG2 3.38Å; T249-V253 PolarHBondContact O-N 3.49Å |
| 250 | N | 78.9 | Confident | 77.6 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 178.2 | -162.8 | 18.9 | 0 | 0 | 0 | 111.9 | L11 T246 I247 S248 L252 V253 S254 | L11-N250 HydrophobicContact CD2-CB 3.26Å; L11-N250 VanDerWaalsContact CD2-N 3.33Å; L11-N250 HydrophobicContact CG-CB 3.98Å; T246-N250 PolarHBondContact O-N 3.31Å; T246-N250 VanDerWaalsContact O-N 3.15Å; I247-N250 WeakPolarHBondContact O-CB 3.23Å; I247-N250 PolarHBondContact O-N 3.22Å; I247-N250 VanDerWaalsContact O-N 3.11Å; S248-N250 VanDerWaalsContact C-N 3.31Å; S248-N250 PolarHBondContact O-N 2.92Å; N250-L252 VanDerWaalsContact C-N 3.29Å; N250-L252 PolarHBondContact O-N 3.45Å; N250-V253 PolarHBondContact O-N 2.84Å; N250-S254 PolarHBondContact O-N 3.17Å; N250-S254 PolarHBondContact O-OG 3.36Å |
| 251 | W | 76.7 | Confident | 75.7 | Confident | 152 Ų | 152 | 71.8 Ų | 71.8 | 58% | 0.576 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.1 | -38.6 | 176.7 | -175.6 | 84.2 | 0 | 0 | 0 | 111.5 | I247 S248 S254 K255 | I247-W251 WeakPolarHBondContact O-CB 3.47Å; I247-W251 PolarHBondContact O-N 3.41Å; S248-W251 PolarHBondContact O-N 3.23Å; W251-S254 PolarHBondContact O-OG 3.15Å; W251-K255 HydrophobicContact CH2-CD 3.82Å; W251-K255 HydrophobicContact CZ2-CD 4.21Å; W251-K255 HydrophobicContact CZ3-CD 4.13Å; W251-K255 WeakPolarHBondContact O-CB 3.32Å; W251-K255 PolarHBondContact O-N 3.44Å |
| 252 | L | 73.3 | Confident | 73.9 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.5 | -46.8 | 175.1 | -75.9 | 170 | 0 | 0 | 0 | 112.4 | H194 S248 T249 N250 S254 K255 F256 | H194-L252 VanDerWaalsContact NE2-CD1 3.34Å; H194-L252 WeakPolarHBondContact NE2-CD1 3.48Å; S248-L252 WeakPolarHBondContact O-CB 3.5Å; S248-L252 VanDerWaalsContact O-CG 3.26Å; S248-L252 WeakPolarHBondContact O-CG 3.42Å; S248-L252 PolarHBondContact O-N 3.21Å; T249-L252 PolarHBondContact O-N 3.23Å; N250-L252 VanDerWaalsContact C-N 3.29Å; N250-L252 PolarHBondContact O-N 3.45Å; L252-S254 VanDerWaalsContact C-N 3.27Å; L252-S254 PolarHBondContact O-N 3.03Å; L252-K255 PolarHBondContact O-N 2.91Å; L252-F256 HydrophobicContact CB-CD2 4.41Å; L252-F256 HydrophobicContact CD2-CE2 4.17Å; L252-F256 WeakPolarHBondContact O-CB 3.31Å; L252-F256 VanDerWaalsContact O-CD2 3.32Å; L252-F256 WeakPolarHBondContact O-CD2 3.48Å; L252-F256 PolarHBondContact O-N 2.83Å |
| 253 | V | 73 | Confident | 72 | Confident | 36 Ų | 36 | 74 Ų | 74 | 22% | 0.218 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 176.8 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | L7 T249 N250 C257 | L7-V253 HydrophobicContact CD2-CB 4.48Å; L7-V253 HydrophobicContact CD2-CG1 3.73Å; L7-V253 HydrophobicContact CD2-CG2 3.85Å; L7-V253 HydrophobicContact CG-CG1 4.44Å; T249-V253 WeakPolarHBondContact O-CB 3.26Å; T249-V253 VanDerWaalsContact O-CG2 3.24Å; T249-V253 WeakPolarHBondContact O-CG2 3.38Å; T249-V253 PolarHBondContact O-N 3.49Å; N250-V253 PolarHBondContact O-N 2.84Å; V253-C257 VanDerWaalsContact O-CB 3.31Å; V253-C257 WeakPolarHBondContact O-CB 3.31Å; V253-C257 PolarHBondContact O-N 3.34Å; V253-C257 PolarHBondContact O-SG 2.78Å |
| 254 | S | 74.7 | Confident | 70.1 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 178.4 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | N250 W251 L252 G258 | N250-S254 PolarHBondContact O-N 3.17Å; N250-S254 PolarHBondContact O-OG 3.36Å; W251-S254 PolarHBondContact O-OG 3.15Å; L252-S254 VanDerWaalsContact C-N 3.27Å; L252-S254 PolarHBondContact O-N 3.03Å; S254-G258 WeakPolarHBondContact O-CA 3.32Å; S254-G258 PolarHBondContact O-N 2.62Å |
| 255 | K | 76.6 | Confident | 67.9 | Low | 126 Ų | 126 | 71.9 Ų | 71.9 | 55% | 0.548 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.2 | -46.1 | 177.1 | -169.8 | 176 | -179 | 177.7 | 0 | 112.7 | W251 L252 G258 N259 | W251-K255 HydrophobicContact CH2-CD 3.82Å; W251-K255 HydrophobicContact CZ2-CD 4.21Å; W251-K255 HydrophobicContact CZ3-CD 4.13Å; W251-K255 WeakPolarHBondContact O-CB 3.32Å; W251-K255 PolarHBondContact O-N 3.44Å; L252-K255 PolarHBondContact O-N 2.91Å; K255-G258 PolarHBondContact O-N 3.11Å; K255-N259 WeakPolarHBondContact O-CB 3.11Å; K255-N259 PolarHBondContact O-N 3.49Å |
| 256 | F | 68.8 | Low | 65.7 | Low | 133 Ų | 133 | 81 Ų | 81 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 177.6 | -84.7 | -71.5 | 0 | 0 | 0 | 111.4 | L252 N259 I260 | L252-F256 HydrophobicContact CB-CD2 4.41Å; L252-F256 HydrophobicContact CD2-CE2 4.17Å; L252-F256 WeakPolarHBondContact O-CB 3.31Å; L252-F256 VanDerWaalsContact O-CD2 3.32Å; L252-F256 WeakPolarHBondContact O-CD2 3.48Å; L252-F256 PolarHBondContact O-N 2.83Å; F256-N259 PolarHBondContact O-N 3.43Å; F256-I260 VanDerWaalsContact O-CG1 3.32Å; F256-I260 WeakPolarHBondContact O-CG1 3.44Å; F256-I260 PolarHBondContact O-N 3.47Å; F256-I260 VanDerWaalsContact O-N 3.15Å |
| 257 | C | 65.6 | Low | 63.3 | Low | 35 Ų | 35 | 86.1 Ų | 86.1 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 175.7 | -72.6 | 0 | 0 | 0 | 0 | 112.7 | Q4 V253 N259 I260 N261 | Q4-C257 HydrophobicContact CG-CB 4.48Å; V253-C257 VanDerWaalsContact O-CB 3.31Å; V253-C257 WeakPolarHBondContact O-CB 3.31Å; V253-C257 PolarHBondContact O-N 3.34Å; V253-C257 PolarHBondContact O-SG 2.78Å; C257-N259 VanDerWaalsContact C-N 3.32Å; C257-N259 PolarHBondContact O-N 3.25Å; C257-I260 PolarHBondContact O-N 2.98Å; C257-N261 PolarHBondContact O-N 3.27Å |
| 258 | G | 61.5 | Low | 60.8 | Low | 38 Ų | 38 | 84.2 Ų | 84.2 | 39% | 0.392 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S254 K255 N261 S262 | S254-G258 WeakPolarHBondContact O-CA 3.32Å; S254-G258 PolarHBondContact O-N 2.62Å; K255-G258 PolarHBondContact O-N 3.11Å; G258-N261 PolarHBondContact O-N 3.04Å; G258-S262 PolarHBondContact O-N 3.41Å; G258-S262 VanDerWaalsContact O-N 3.11Å; G258-S262 PolarHBondContact O-OG 2.82Å |
| 259 | N | 56.8 | Low | 58.5 | Low | 93 Ų | 93 | 87.7 Ų | 87.7 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.6 | -32.6 | 178.3 | -161.1 | 40.4 | 0 | 0 | 0 | 113 | K255 F256 C257 N261 S262 S263 | K255-N259 WeakPolarHBondContact O-CB 3.11Å; K255-N259 PolarHBondContact O-N 3.49Å; F256-N259 PolarHBondContact O-N 3.43Å; C257-N259 VanDerWaalsContact C-N 3.32Å; C257-N259 PolarHBondContact O-N 3.25Å; N259-N261 VanDerWaalsContact C-N 3.31Å; N259-N261 PolarHBondContact O-N 3.29Å; N259-S262 WeakPolarHBondContact CA-OG 3.46Å; N259-S262 PolarHBondContact O-N 3.38Å; N259-S262 PolarHBondContact O-OG 2.92Å; N259-S263 WeakPolarHBondContact O-CB 3.34Å; N259-S263 PolarHBondContact O-N 3.02Å |
| 260 | I | 55.3 | Low | 56.3 | Low | 113 Ų | 113 | 91.9 Ų | 91.9 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 173.7 | -67.8 | 164.1 | 0 | 0 | 0 | 110.5 | F256 C257 | F256-I260 VanDerWaalsContact O-CG1 3.32Å; F256-I260 WeakPolarHBondContact O-CG1 3.44Å; F256-I260 PolarHBondContact O-N 3.47Å; F256-I260 VanDerWaalsContact O-N 3.15Å; C257-I260 PolarHBondContact O-N 2.98Å |
| 261 | N | 51.8 | Low | 54.2 | Low | 119 Ų | 119 | 96.4 Ų | 96.4 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.3 | -29.4 | 178.6 | -67.1 | -12.8 | 0 | 0 | 0 | 112.9 | C257 G258 N259 | C257-N261 PolarHBondContact O-N 3.27Å; G258-N261 PolarHBondContact O-N 3.04Å; N259-N261 VanDerWaalsContact C-N 3.31Å; N259-N261 PolarHBondContact O-N 3.29Å |
| 262 | S | 52.1 | Low | 52.1 | Low | 91 Ų | 91 | 98.6 Ų | 98.6 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -91 | -33.5 | 179.5 | 64.1 | 0 | 0 | 0 | 0 | 114.4 | G258 N259 | G258-S262 PolarHBondContact O-N 3.41Å; G258-S262 VanDerWaalsContact O-N 3.11Å; G258-S262 PolarHBondContact O-OG 2.82Å; N259-S262 WeakPolarHBondContact CA-OG 3.46Å; N259-S262 PolarHBondContact O-N 3.38Å; N259-S262 PolarHBondContact O-OG 2.92Å |
| 263 | S | 50.4 | Low | 50.3 | Low | 87 Ų | 87 | 101 Ų | 101 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -99.5 | -16.8 | -167.3 | -179.1 | 0 | 0 | 0 | 0 | 115.2 | N259 | N259-S263 WeakPolarHBondContact O-CB 3.34Å; N259-S263 PolarHBondContact O-N 3.02Å |
| 264 | S | 49.5 | Very low | 48.7 | Very low | 46 Ų | 46 | 103.4 Ų | 103.4 | 32% | 0.322 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.6 | 6.9 | 177.4 | -145.8 | 0 | 0 | 0 | 0 | 116.4 | R266 N267 C268 | S264-R266 PolarHBondContact O-N 3.22Å; S264-N267 PolarHBondContact O-N 3.34Å; S264-C268 PolarHBondContact O-N 3.11Å; S264-C268 PolarHBondContact OG-SG 3.31Å |
| 265 | G | 42.4 | Very low | 46.6 | Very low | 43 Ų | 43 | 103.7 Ų | 103.7 | 44% | 0.443 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | -17.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 266 | R | 38.4 | Very low | 44.5 | Very low | 231 Ų | 231 | 102.1 Ų | 102.1 | 87% | 0.872 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -22.3 | 176.6 | -108.8 | -174.1 | -82.5 | 175.1 | -4.6 | 114.9 | S264 | S264-R266 PolarHBondContact O-N 3.22Š|
| 267 | N | 34.8 | Very low | 42.5 | Very low | 124 Ų | 124 | 107.1 Ų | 107.1 | 66% | 0.663 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -41.2 | -176.8 | -67.8 | 4.2 | 0 | 0 | 0 | 112.6 | S264 L269 M270 E271 | S264-N267 PolarHBondContact O-N 3.34Å; N267-L269 PolarHBondContact O-N 3.34Å; N267-M270 PolarHBondContact O-N 3.29Å; N267-E271 PolarHBondContact O-N 2.78Å |
| 268 | C | 33.9 | Very low | 40.6 | Very low | 60 Ų | 60 | 113.7 Ų | 113.7 | 41% | 0.405 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.5 | -27.9 | 177.7 | -78.9 | 0 | 0 | 0 | 0 | 113.4 | S264 M270 E271 Y272 | S264-C268 PolarHBondContact O-N 3.11Å; S264-C268 PolarHBondContact OG-SG 3.31Å; C268-M270 VanDerWaalsContact C-N 3.29Å; C268-E271 PolarHBondContact O-N 3.43Å; C268-Y272 WeakPolarHBondContact O-CD2 3.47Å; C268-Y272 PolarHBondContact O-N 3.36Å |
| 269 | L | 34.2 | Very low | 39 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 65% | 0.649 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.2 | -22.5 | 177.3 | -153.5 | 132.2 | 0 | 0 | 0 | 112.3 | N267 T273 | N267-L269 PolarHBondContact O-N 3.34Å; L269-T273 WeakPolarHBondContact O-CG2 3.41Å; L269-T273 PolarHBondContact O-N 3.32Å; L269-T273 PolarHBondContact O-OG1 3.41Å |
| 270 | M | 33.8 | Very low | 37.6 | Very low | 132 Ų | 132 | 116.7 Ų | 116.7 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.5 | -29.9 | 173.2 | -155.7 | 66.5 | 176.1 | 0 | 0 | 111.9 | N267 C268 T273 S274 | N267-M270 PolarHBondContact O-N 3.29Å; C268-M270 VanDerWaalsContact C-N 3.29Å; M270-T273 PolarHBondContact O-OG1 3.12Å; M270-S274 WeakPolarHBondContact O-CB 3.45Å; M270-S274 PolarHBondContact O-N 3.4Å; M270-S274 VanDerWaalsContact O-N 3.12Å; M270-S274 PolarHBondContact O-OG 3.32Å |
| 271 | E | 34.3 | Very low | 36.1 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.6 | -32.4 | 179.4 | -154.9 | 158.5 | -162.2 | 0 | 0 | 112.6 | N267 C268 G275 | N267-E271 PolarHBondContact O-N 2.78Å; C268-E271 PolarHBondContact O-N 3.43Å; E271-G275 PolarHBondContact O-N 3.44Å |
| 272 | Y | 33.8 | Very low | 34.8 | Very low | 199 Ų | 199 | 120.2 Ų | 120.2 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.7 | -20.7 | 173.3 | -81.5 | -82 | 0 | 0 | 0 | 114.2 | C268 | C268-Y272 WeakPolarHBondContact O-CD2 3.47Å; C268-Y272 PolarHBondContact O-N 3.36Å |
| 273 | T | 35.6 | Very low | 33.5 | Very low | 92 Ų | 92 | 120 Ų | 120 | 56% | 0.564 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -91.6 | -13.1 | 175.5 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | L269 M270 | L269-T273 WeakPolarHBondContact O-CG2 3.41Å; L269-T273 PolarHBondContact O-N 3.32Å; L269-T273 PolarHBondContact O-OG1 3.41Å; M270-T273 PolarHBondContact O-OG1 3.12Å |
| 274 | S | 37.8 | Very low | 32.3 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -95.7 | -13.3 | 170.9 | 48.4 | 0 | 0 | 0 | 0 | 113.8 | M270 S276 | M270-S274 WeakPolarHBondContact O-CB 3.45Å; M270-S274 PolarHBondContact O-N 3.4Å; M270-S274 VanDerWaalsContact O-N 3.12Å; M270-S274 PolarHBondContact O-OG 3.32Å; S274-S276 VanDerWaalsContact C-N 3.33Å; S274-S276 PolarHBondContact O-N 2.65Å |
| 275 | G | 32.3 | Very low | 31 | Very low | 63 Ų | 63 | 127.4 Ų | 127.4 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 2.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | E271 | E271-G275 PolarHBondContact O-N 3.44Š|
| 276 | S | 32.1 | Very low | 30.2 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 48.1 | -178.4 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | S274 | S274-S276 VanDerWaalsContact C-N 3.33Å; S274-S276 PolarHBondContact O-N 2.65Å |
| 277 | R | 26.5 | Very low | 29.6 | Very low | 238 Ų | 238 | 127.7 Ų | 127.7 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | trans | -128.2 | 58 | 144.9 | -72.9 | -167.9 | -168.8 | 178.2 | 4.3 | 109.1 | ||||
| 278 | L | 26.5 | Very low | 29.1 | Very low | 173 Ų | 173 | 131 Ų | 131 | 91% | 0.906 | 73% | 0.728 | S | S | * | * | trans | -121.4 | 64.1 | 163.2 | -148.7 | 88 | 0 | 0 | 0 | 108.2 | ||||
| 279 | S | 26.6 | Very low | 28.7 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -145.9 | 112.6 | 162.4 | 62.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 280 | A | 27.3 | Very low | 28.2 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 60.8 | 91.2 | 165 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 281 | N | 24.6 | Very low | 27.9 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | -155.8 | 90.6 | 120 | -89.6 | -13.2 | 0 | 0 | 0 | 108.8 | S283 | N281-S283 PolarHBondContact O-N 3.16Å; N281-S283 VanDerWaalsContact O-N 3.16Å | |||
| 282 | T | 23.6 | Very low | 27.4 | Very low | 150 Ų | 150 | 130 Ų | 130 | 92% | 0.92 | 77% | 0.766 | S | S | * | * | trans | -62.3 | 98.5 | 154.1 | -49.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 283 | S | 25.7 | Very low | 27.1 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | trans | -172.9 | 108 | 153.6 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | N281 | N281-S283 PolarHBondContact O-N 3.16Å; N281-S283 VanDerWaalsContact O-N 3.16Å | ||
| 284 | L | 24.9 | Very low | 26.6 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | 60.9 | 122.2 | 146.5 | -71.8 | 106.4 | 0 | 0 | 0 | 121.4 | ||||
| 285 | D | 22.6 | Very low | 26.1 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -48.9 | 158.6 | 154.6 | -62.7 | -51.5 | 0 | 0 | 0 | 112.5 | ||||
| 286 | P | 25.4 | Very low | 25.6 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | -132.8 | 145 | 90.8 | 33.5 | -20.3 | 0 | 0 | 0 | 114.9 | |||||
| 287 | I | 24.7 | Very low | 25.4 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 125.5 | 171 | -65.2 | 156.5 | 0 | 0 | 0 | 109.6 | ||||
| 288 | E | 25.8 | Very low | 25.2 | Very low | 194 Ų | 194 | 130.3 Ų | 130.3 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -158.3 | 130.6 | 150.8 | -118.4 | -179.2 | -167.5 | 0 | 0 | 111.1 | ||||
| 289 | G | 24.3 | Very low | 25.3 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 98.8 | 99.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 290 | G | 23.3 | Very low | 25.2 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -56 | 152.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 291 | N | 27.4 | Very low | 25.1 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | -162 | 128.1 | 116.2 | -93.2 | -25.2 | 0 | 0 | 0 | 110.3 | L293 | N291-L293 PolarHBondContact O-N 3.45Š| |||
| 292 | T | 23.8 | Very low | 25.1 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -51.7 | 118.5 | 172 | 34.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 293 | L | 28.6 | Very low | 25.2 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -143.9 | 83.2 | 146.4 | -95 | 168.7 | 0 | 0 | 0 | 107.9 | N291 A295 | N291-L293 PolarHBondContact O-N 3.45Å; L293-A295 PolarHBondContact O-N 3.07Å | ||
| 294 | V | 24.7 | Very low | 25 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -71.8 | 92.7 | 170.6 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | N296 | V294-N296 PolarHBondContact O-N 3.09Å; V294-N296 VanDerWaalsContact O-N 3.16Å | ||
| 295 | A | 28.2 | Very low | 25 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | -77.5 | 94.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | L293 I297 | L293-A295 PolarHBondContact O-N 3.07Å; A295-I297 PolarHBondContact O-N 2.88Å | ||
| 296 | N | 21.6 | Very low | 25.2 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 90.6 | 177.1 | -158 | 15.6 | 0 | 0 | 0 | 109.6 | V294 N298 | V294-N296 PolarHBondContact O-N 3.09Å; V294-N296 VanDerWaalsContact O-N 3.16Å; N296-N298 PolarHBondContact OD1-OD1 3.43Å | ||
| 297 | I | 27.2 | Very low | 25.1 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -97.3 | 89.6 | 171.3 | -54.4 | -179.1 | 0 | 0 | 0 | 107.6 | A295 V299 | A295-I297 PolarHBondContact O-N 2.88Å; I297-V299 VanDerWaalsContact C-N 3.26Å; I297-V299 HydrophobicContact CG2-CG2 3.74Å; I297-V299 PolarHBondContact O-N 3.02Å | ||
| 298 | N | 23.3 | Very low | 25.2 | Very low | 126 Ų | 126 | 144 Ų | 144 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | trans | -65.3 | 84.1 | 167.5 | -73.5 | -21.7 | 0 | 0 | 0 | 109.5 | N296 S300 | N296-N298 PolarHBondContact OD1-OD1 3.43Å; N298-S300 PolarHBondContact O-N 3.16Å; N298-S300 VanDerWaalsContact O-N 3.09Å | ||
| 299 | V | 28.1 | Very low | 25.1 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | trans | -76.1 | 98.9 | 167.1 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | I297 R301 | I297-V299 VanDerWaalsContact C-N 3.26Å; I297-V299 HydrophobicContact CG2-CG2 3.74Å; I297-V299 PolarHBondContact O-N 3.02Å; V299-R301 PolarHBondContact O-N 3.04Å | ||
| 300 | S | 24.6 | Very low | 25 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -63.5 | 100.6 | 170.3 | -60 | 0 | 0 | 0 | 0 | 109.4 | N298 | N298-S300 PolarHBondContact O-N 3.16Å; N298-S300 VanDerWaalsContact O-N 3.09Å | ||
| 301 | R | 25.4 | Very low | 25.2 | Very low | 210 Ų | 210 | 150.7 Ų | 150.7 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -149.4 | 100.3 | 165.3 | -159 | -178 | -142.3 | 114 | 0 | 106.2 | V299 | V299-R301 PolarHBondContact O-N 3.04Š| ||
| 302 | D | 23.9 | Very low | 25 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 176.3 | 103.5 | 148.4 | -85.3 | -15.2 | 0 | 0 | 0 | 109.5 | ||||
| 303 | K | 24.9 | Very low | 24.9 | Very low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -167.4 | 82.6 | 154.2 | -117.7 | -179.8 | -175.6 | 178.2 | 0 | 106.8 | ||||
| 304 | Y | 23.1 | Very low | 24.6 | Very low | 227 Ų | 227 | 149.9 Ų | 149.9 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -168.3 | 123.1 | 141.1 | -104.3 | -75.3 | 0 | 0 | 0 | 108.9 | ||
| 305 | S | 24.9 | Very low | 24.6 | Very low | 100 Ų | 100 | 150 Ų | 150 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 56.9 | 106.1 | 160.2 | 60.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 306 | E | 25.9 | Very low | 24.3 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | -168.3 | 129 | 90.2 | -110.4 | 171.7 | 172 | 0 | 0 | 112.4 | H308 | E306-H308 PolarHBondContact O-N 3.43Š| |||
| 307 | V | 23 | Very low | 24.4 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -76.9 | 106.5 | 164.9 | 169.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 308 | H | 27.4 | Very low | 24.1 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -148.7 | 110.9 | 144.2 | -99.3 | -58.3 | 0 | 0 | 0 | 110.3 | E306 | E306-H308 PolarHBondContact O-N 3.43Š| ||
| 309 | Q | 24.4 | Very low | 24.5 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -63.1 | 145.2 | 172.1 | -74.5 | 172.6 | -30 | 0 | 0 | 111.4 | ||||
| 310 | N | 21.6 | Very low | 24 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | 65.1 | 94.2 | 143 | -59.9 | -17.8 | 0 | 0 | 0 | 117.9 | ||||
| 311 | L | 27 | Very low | 23.9 | Very low | 177 Ų | 177 | 156 Ų | 156 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | trans | -126.5 | 115.2 | 133.6 | -157.3 | 68.9 | 0 | 0 | 0 | 110.1 | ||||
| 312 | T | 24.3 | Very low | 23.7 | Very low | 111 Ų | 111 | 152 Ų | 152 | 68% | 0.681 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 136.6 | -178.1 | 37.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 313 | K | 20.9 | Very low | 23.6 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | 48.4 | 145 | 127.9 | -70.5 | -176.4 | 173.4 | 179 | 0 | 121.2 | |||||
| 314 | N | 22.5 | Very low | 23.4 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 100.7 | 129.4 | 164.2 | -53.4 | -17.2 | 0 | 0 | 0 | 111.7 | ||||
| 315 | T | 24 | Very low | 23.3 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | cis | -166.7 | 139.8 | 20.2 | -24.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 316 | A | 22.8 | Very low | 23.2 | Very low | 82 Ų | 82 | 144.3 Ų | 144.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 52.8 | 131.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 317 | S | 22.7 | Very low | 22.9 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 64.7 | 112.1 | 134.1 | 54.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 318 | E | 20.7 | Very low | 22.9 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | 71.9 | 152.2 | 87.3 | -87.5 | -166.8 | 165.3 | 0 | 0 | 115.1 | |||||
| 319 | P | 32.1 | Very low | 22.6 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | -136.7 | -176.8 | -37.9 | 37.9 | -19.1 | 0 | 0 | 0 | 113.9 | ||||
| 320 | L | 18.6 | Very low | 22.5 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -56.8 | 140.2 | 176.5 | -166.3 | 79.7 | 0 | 0 | 0 | 115.8 | ||||
| 321 | E | 21.8 | Very low | 22.5 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -143.9 | 130.7 | 157.6 | -144.4 | 172.7 | -161.6 | 0 | 0 | 111.7 | ||||
| 322 | N | 21.8 | Very low | 22.2 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | trans | -88.9 | 133.5 | -168.9 | -84.8 | -18.7 | 0 | 0 | 0 | 111.8 | ||||
| 323 | S | 21.2 | Very low | 22.1 | Very low | 88 Ų | 88 | 139 Ų | 139 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | 53.3 | 115.9 | 100.3 | 80.2 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 324 | V | 21.5 | Very low | 22.2 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | -140.1 | 119.3 | 152.9 | 171.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 325 | E | 21.1 | Very low | 23.3 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 36.1 | 135.1 | 142.2 | -59.7 | 176.7 | 143.3 | 0 | 0 | 122.6 | ||||
| 326 | T | 22 | Very low | 23.2 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 179.6 | 138.1 | 87.9 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 327 | V | 18.9 | Very low | 23.1 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -87.2 | 149 | -176.5 | 169 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 328 | I | 23.2 | Very low | 23.2 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | trans | -159.4 | 130.4 | 139.7 | -90.4 | 143.1 | 0 | 0 | 0 | 110 | ||||
| 329 | S | 20.6 | Very low | 23.3 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -73.8 | 153.7 | 177.6 | 51 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 330 | L | 22.2 | Very low | 22.9 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | -149.4 | 135.6 | 145.8 | -145.1 | 83.8 | 0 | 0 | 0 | 112.7 | ||||
| 331 | N | 22 | Very low | 23.1 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -98.4 | 143.3 | -168.1 | -105.4 | 0.1 | 0 | 0 | 0 | 112.6 | ||||
| 332 | T | 20.9 | Very low | 23.3 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | 36.5 | 129.4 | 135.8 | 52.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 333 | E | 22 | Very low | 23.5 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | 98.5 | 117 | 127 | -79.4 | 175.7 | -170 | 0 | 0 | 123.1 | |||||
| 334 | T | 24.2 | Very low | 23.5 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 85.2 | 151.9 | 135.6 | 53.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 335 | P | 44 | Very low | 23.7 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -111.5 | 154.3 | -139.9 | 40.1 | -31.2 | 0 | 0 | 0 | 114.6 | ||||
| 336 | C | 23.5 | Very low | 24 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 86% | 0.858 | 77% | 0.766 | S | S | * | * | trans | -146.8 | 121.4 | 160.3 | -121.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 337 | S | 21.1 | Very low | 24 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | -55 | 131.4 | 159.1 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 338 | N | 23.6 | Very low | 24.5 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 163 | 134 | 124 | -86.3 | -21.9 | 0 | 0 | 0 | 114 | |||||
| 339 | L | 22.9 | Very low | 24.6 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 66.7 | 133.8 | 140.5 | -86.3 | 98.9 | 0 | 0 | 0 | 122.9 | ||||
| 340 | L | 23.5 | Very low | 24.9 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | 75.8 | 102.9 | 141.7 | -72.6 | 161.5 | 0 | 0 | 0 | 117 | ||||
| 341 | I | 23.1 | Very low | 25 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | 47.4 | 96.7 | 91.8 | -55.1 | 178.6 | 0 | 0 | 0 | 111.4 | |||||
| 342 | K | 26.5 | Very low | 25.8 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -152.3 | 110.1 | 150 | -144.5 | 170.7 | -176.1 | 179.1 | 0 | 110.8 | ||||
| 343 | D | 25.5 | Very low | 26.2 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | 43.7 | 114.1 | 138.2 | -53.5 | -39.5 | 0 | 0 | 0 | 118.7 | ||||
| 344 | K | 21.8 | Very low | 26.4 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | 65.6 | 125.7 | 70.4 | -146.2 | -176.3 | -162.8 | -177.6 | 0 | 112.4 | |||||
| 345 | H | 25.1 | Very low | 26.6 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | 86.5 | 102.4 | 175 | -65.3 | -86.8 | 0 | 0 | 0 | 117.4 | ||||
| 346 | F | 28 | Very low | 25.7 | Very low | 209 Ų | 209 | 156.5 Ų | 156.5 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | -154.5 | 95.7 | 118.5 | -104.1 | -76.5 | 0 | 0 | 0 | 109.6 | |||||
| 347 | L | 22.5 | Very low | 26.1 | Very low | 163 Ų | 163 | 158.1 Ų | 158.1 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -80.3 | 122.7 | 153.2 | -92.7 | 156.3 | 0 | 0 | 0 | 106.4 | ||||
| 348 | H | 29.2 | Very low | 26.3 | Very low | 169 Ų | 169 | 160.9 Ų | 160.9 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -147.5 | 118.8 | 146 | -142.2 | -41.2 | 0 | 0 | 0 | 110.6 | ||||
| 349 | S | 24.4 | Very low | 26.8 | Very low | 93 Ų | 93 | 161.8 Ų | 161.8 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -64.8 | 144.6 | 165.9 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 350 | N | 27.6 | Very low | 27.1 | Very low | 169 Ų | 169 | 161 Ų | 161 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -141.9 | 116.7 | 146.3 | -114.2 | -6.3 | 0 | 0 | 0 | 110.6 | ||||
| 351 | K | 23.3 | Very low | 27.4 | Very low | 192 Ų | 192 | 159.8 Ų | 159.8 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -110.9 | 172.4 | 164.4 | -119.5 | -169.8 | 179.8 | 179.8 | 0 | 105 | ||||
| 352 | P | 39.6 | Very low | 27.8 | Very low | 95 Ų | 95 | 159.9 Ų | 159.9 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | cis | -126.3 | 155.8 | -47.2 | 31.5 | -14.7 | 0 | 0 | 0 | 111 | ||||
| 353 | N | 29.1 | Very low | 28.1 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | trans | -108.3 | 96.8 | 160.6 | -84.9 | -18.5 | 0 | 0 | 0 | 109.4 | ||||
| 354 | Q | 25.9 | Very low | 28.1 | Very low | 185 Ų | 185 | 157.7 Ų | 157.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -80.9 | 125.6 | 156 | -86.9 | 176.2 | -37.5 | 0 | 0 | 108.3 | ||||
| 355 | R | 28.8 | Very low | 29.1 | Very low | 248 Ų | 248 | 154.9 Ų | 154.9 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -140.4 | 114.4 | 148.2 | -117.5 | -177.3 | -164.5 | -176.2 | 4.5 | 109.3 | ||||
| 356 | M | 23.9 | Very low | 29.7 | Very low | 167 Ų | 167 | 159.4 Ų | 159.4 | 82% | 0.823 | 82% | 0.823 | S | S | * | * | trans | -56.4 | 131.5 | 161.7 | -69 | 159.9 | 73.9 | 0 | 0 | 109.5 | ||||
| 357 | I | 32.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 157 Ų | 157 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -133.6 | 123.3 | 131.4 | -61.8 | -175.1 | 0 | 0 | 0 | 106.2 | ||||
| 358 | K | 25.1 | Very low | 30.2 | Very low | 154 Ų | 154 | 156.6 Ų | 156.6 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | -103.2 | 126.2 | -179.1 | -173.1 | -169.1 | -168.2 | -166.9 | 0 | 103.5 | ||||
| 359 | D | 33.8 | Very low | 30.3 | Very low | 156 Ų | 156 | 155.9 Ų | 155.9 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -147.6 | 130.4 | 156 | -88.3 | -36 | 0 | 0 | 0 | 108.9 | ||||
| 360 | D | 30.1 | Very low | 30.6 | Very low | 121 Ų | 121 | 159.6 Ų | 159.6 | 65% | 0.647 | 83% | 0.829 | S | S | * | * | trans | -80.5 | 154.5 | -165.6 | -70.8 | -53.9 | 0 | 0 | 0 | 112.5 | ||||
| 361 | S | 29 | Very low | 30.8 | Very low | 102 Ų | 102 | 159.1 Ų | 159.1 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | 51.1 | 120.6 | 141 | 63.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 362 | L | 32.3 | Very low | 31.3 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | -165.5 | 115.2 | 117.1 | -129.4 | 77.4 | 0 | 0 | 0 | 112.8 | |||||
| 363 | S | 32 | Very low | 30.7 | Very low | 99 Ų | 99 | 161.3 Ų | 161.3 | 69% | 0.692 | 84% | 0.838 | S | S | * | * | trans | 24 | 129.5 | 145.6 | 57.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 364 | L | 25.5 | Very low | 30.8 | Very low | 167 Ų | 167 | 160.1 Ų | 160.1 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -50.7 | 146.9 | 148.4 | -89.1 | 76.5 | 0 | 0 | 0 | 112.8 | ||||
| 365 | P | 44.1 | Very low | 31.2 | Very low | 119 Ų | 119 | 158 Ų | 158 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -103.6 | 150.2 | 148.9 | 34 | -22.5 | 0 | 0 | 0 | 111.6 | ||||
| 366 | D | 37.9 | Very low | 31.5 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 100% | 1.305 | 82% | 0.817 | S | S | * | * | trans | -57.6 | 0 | 171.5 | -66.9 | -51 | 0 | 0 | 0 | 114.1 |
Retrieved 366 of 366 residues in 133 ms
(Link to these results)