| 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 | 44 | Very low | 63.5 | Low | 207 Ų | 207 | 107 Ų | 107 | 100% | 1.02 | 55% | 0.55 | S | S | * | * | 0 | -24.8 | 0 | -87.5 | 177.4 | 80.8 | 0 | 0 | 114.2 | T5 | M1-T5 PolarHBondContact O-OG1 3.42Š| |||
| 2 | N | 47 | Very low | 65.5 | Low | 113 Ų | 113 | 102 Ų | 102 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76.3 | -46.8 | -176.6 | -85 | 8.1 | 0 | 0 | 0 | 114.7 | T4 T5 Y6 | N2-T4 PolarHBondContact O-N 2.93Å; N2-T5 PolarHBondContact O-N 3.36Å; N2-T5 VanDerWaalsContact O-N 3.09Å; N2-Y6 HydrophobicContact CB-CD2 4.03Å; N2-Y6 HydrophobicContact CB-CE2 3.96Å; N2-Y6 WeakPolarHBondContact O-CD2 3.42Å; N2-Y6 PolarHBondContact O-N 3.35Å |
| 3 | E | 47.1 | Very low | 67.4 | Low | 171 Ų | 171 | 100.3 Ų | 100.3 | 80% | 0.799 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.6 | -43.3 | -170.8 | -72.1 | -173.9 | 159.8 | 0 | 0 | 114.1 | T5 Y6 V7 | E3-T5 VanDerWaalsContact C-N 3.35Å; E3-T5 PolarHBondContact O-N 3.45Å; E3-Y6 PolarHBondContact O-N 3.25Å; E3-V7 WeakPolarHBondContact O-CG2 3.28Å; E3-V7 PolarHBondContact O-N 3.04Å |
| 4 | T | 53.3 | Low | 69.2 | Low | 100 Ų | 100 | 100 Ų | 100 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -37.5 | 177 | 49 | 0 | 0 | 0 | 0 | 112.2 | N2 V7 T8 | N2-T4 PolarHBondContact O-N 2.93Å; T4-V7 PolarHBondContact O-N 3.35Å; T4-T8 WeakPolarHBondContact O-CB 3.45Å; T4-T8 WeakPolarHBondContact O-CG2 3.35Å; T4-T8 PolarHBondContact O-N 2.82Å; T4-T8 PolarHBondContact O-OG1 3.22Å |
| 5 | T | 57.9 | Low | 70.9 | Confident | 73 Ų | 73 | 93.7 Ų | 93.7 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.6 | -46.6 | 0 | 0 | 0 | 0 | 111 | M1 N2 E3 V7 T8 Q9 | M1-T5 PolarHBondContact O-OG1 3.42Å; N2-T5 PolarHBondContact O-N 3.36Å; N2-T5 VanDerWaalsContact O-N 3.09Å; E3-T5 VanDerWaalsContact C-N 3.35Å; E3-T5 PolarHBondContact O-N 3.45Å; T5-V7 PolarHBondContact O-N 3.48Å; T5-T8 PolarHBondContact O-N 3.27Å; T5-T8 PolarHBondContact O-OG1 3.33Å; T5-Q9 PolarHBondContact O-N 3.41Å |
| 6 | Y | 56 | Low | 72.3 | Confident | 169 Ų | 169 | 89.6 Ų | 89.6 | 66% | 0.663 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 177.7 | -86.7 | -74 | 0 | 0 | 0 | 113.3 | N2 E3 P10 | N2-Y6 HydrophobicContact CB-CD2 4.03Å; N2-Y6 HydrophobicContact CB-CE2 3.96Å; N2-Y6 WeakPolarHBondContact O-CD2 3.42Å; N2-Y6 PolarHBondContact O-N 3.35Å; E3-Y6 PolarHBondContact O-N 3.25Å; Y6-P10 WeakPolarHBondContact O-CD 3.44Å |
| 7 | V | 62.2 | Low | 73.6 | Confident | 79 Ų | 79 | 89.1 Ų | 89.1 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -79.2 | -34.3 | 179.7 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | E3 T4 T5 P10 I11 P271 | E3-V7 WeakPolarHBondContact O-CG2 3.28Å; E3-V7 PolarHBondContact O-N 3.04Å; T4-V7 PolarHBondContact O-N 3.35Å; T5-V7 PolarHBondContact O-N 3.48Å; V7-P10 WeakPolarHBondContact O-CD 3.28Å; V7-I11 HydrophobicContact CG1-CD1 4.17Å; V7-I11 WeakPolarHBondContact O-CD1 3.22Å; V7-I11 WeakPolarHBondContact O-CG1 3.12Å; V7-P271 HydrophobicContact CG1-CG 4.08Å |
| 8 | T | 77.2 | Confident | 74.8 | Confident | 24 Ų | 24 | 84.9 Ų | 84.9 | 15% | 0.147 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -77 | -33 | -175.2 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | T4 T5 I11 R12 G269 | T4-T8 WeakPolarHBondContact O-CB 3.45Å; T4-T8 WeakPolarHBondContact O-CG2 3.35Å; T4-T8 PolarHBondContact O-N 2.82Å; T4-T8 PolarHBondContact O-OG1 3.22Å; T5-T8 PolarHBondContact O-N 3.27Å; T5-T8 PolarHBondContact O-OG1 3.33Å; T8-I11 PolarHBondContact O-N 3.37Å; T8-R12 WeakPolarHBondContact O-CB 3.4Å; T8-R12 WeakPolarHBondContact O-CG 3.3Å; T8-R12 PolarHBondContact O-N 3.3Å; T8-G269 WeakPolarHBondContact CG2-O 3.43Å |
| 9 | Q | 79.9 | Confident | 75.9 | Confident | 126 Ų | 126 | 80.4 Ų | 80.4 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | -176.9 | -174.7 | 170.3 | -4 | 0 | 0 | 114.4 | T5 R12 T13 | T5-Q9 PolarHBondContact O-N 3.41Å; Q9-R12 PolarHBondContact O-N 2.9Å; Q9-T13 PolarHBondContact O-N 3.05Å; Q9-T13 PolarHBondContact O-OG1 2.9Å |
| 10 | P | 86.3 | Confident | 77 | Confident | 72 Ų | 72 | 78.3 Ų | 78.3 | 47% | 0.468 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 172.8 | -24.5 | 33.7 | 0 | 0 | 0 | 112.6 | Y6 V7 R12 T13 I14 | Y6-P10 WeakPolarHBondContact O-CD 3.44Å; V7-P10 WeakPolarHBondContact O-CD 3.28Å; P10-R12 PolarHBondContact O-N 3.34Å; P10-T13 WeakPolarHBondContact O-CB 3.35Å; P10-T13 PolarHBondContact O-N 3.07Å; P10-T13 VanDerWaalsContact O-N 3.17Å; P10-I14 WeakPolarHBondContact O-CG1 3.36Å; P10-I14 PolarHBondContact O-N 2.88Å |
| 11 | I | 88.2 | Confident | 77.9 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 22% | 0.221 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 179.9 | -60.6 | 171.4 | 0 | 0 | 0 | 110.1 | V7 T8 T13 I14 I15 P271 Q274 | V7-I11 HydrophobicContact CG1-CD1 4.17Å; V7-I11 WeakPolarHBondContact O-CD1 3.22Å; V7-I11 WeakPolarHBondContact O-CG1 3.12Å; T8-I11 PolarHBondContact O-N 3.37Å; I11-T13 VanDerWaalsContact C-N 3.29Å; I11-T13 PolarHBondContact O-N 3.09Å; I11-I14 WeakPolarHBondContact O-CB 3.3Å; I11-I14 PolarHBondContact O-N 3.44Å; I11-I15 HydrophobicContact CG2-CD1 3.85Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 WeakPolarHBondContact O-CG1 3.5Å; I11-I15 PolarHBondContact O-N 3.49Å; I11-P271 HydrophobicContact CD1-CB 3.93Å; I11-P271 HydrophobicContact CD1-CG 4.32Å; I11-Q274 HydrophobicContact CG2-CB 3.66Å; I11-Q274 HydrophobicContact CG2-CG 4.41Å; I11-Q274 VanDerWaalsContact CG2-OE1 3.26Å |
| 12 | R | 87.6 | Confident | 80.4 | Confident | 47 Ų | 47 | 69 Ų | 69 | 18% | 0.177 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 176.3 | -67.9 | 176 | 89.7 | 179.2 | 15 | 112.6 | T8 Q9 P10 I15 T16 H68 | T8-R12 WeakPolarHBondContact O-CB 3.4Å; T8-R12 WeakPolarHBondContact O-CG 3.3Å; T8-R12 PolarHBondContact O-N 3.3Å; Q9-R12 PolarHBondContact O-N 2.9Å; P10-R12 PolarHBondContact O-N 3.34Å; R12-I15 PolarHBondContact O-N 3.16Å; R12-T16 WeakPolarHBondContact O-CB 3.39Å; R12-T16 PolarHBondContact O-N 3.2Å; R12-T16 PolarHBondContact O-OG1 2.84Å; R12-H68 PolarHBondContact NH1-CD2 3.32Å; R12-H68 PolarHBondContact NH1-NE2 3.23Å; R12-H68 PolarHBondContact NH2-CD2 3.46Å; R12-H68 PolarHBondContact NH2-CE1 3.31Å; R12-H68 PolarHBondContact NH2-ND1 3.31Å; R12-H68 PolarHBondContact NH2-NE2 3.33Å |
| 13 | T | 89.1 | Confident | 82.8 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.6 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | Q9 P10 I11 T16 V17 | Q9-T13 PolarHBondContact O-N 3.05Å; Q9-T13 PolarHBondContact O-OG1 2.9Å; P10-T13 WeakPolarHBondContact O-CB 3.35Å; P10-T13 PolarHBondContact O-N 3.07Å; P10-T13 VanDerWaalsContact O-N 3.17Å; I11-T13 VanDerWaalsContact C-N 3.29Å; I11-T13 PolarHBondContact O-N 3.09Å; T13-T16 PolarHBondContact O-N 2.97Å; T13-V17 WeakPolarHBondContact O-CG2 3.23Å; T13-V17 PolarHBondContact O-N 3.37Å |
| 14 | I | 93.3 | Very high | 85.2 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -50 | 176.6 | -67.3 | 165.4 | 0 | 0 | 0 | 110.7 | P10 I11 T16 V17 E18 F278 | P10-I14 WeakPolarHBondContact O-CG1 3.36Å; P10-I14 PolarHBondContact O-N 2.88Å; I11-I14 WeakPolarHBondContact O-CB 3.3Å; I11-I14 PolarHBondContact O-N 3.44Å; I14-T16 VanDerWaalsContact C-N 3.28Å; I14-T16 PolarHBondContact O-N 3.37Å; I14-V17 PolarHBondContact O-N 3.26Å; I14-E18 WeakPolarHBondContact O-CB 3.47Å; I14-E18 PolarHBondContact O-N 2.8Å; I14-F278 HydrophobicContact CG2-CD2 4.14Å; I14-F278 HydrophobicContact CG2-CE2 3.82Å |
| 15 | I | 93.8 | Very high | 87.2 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 179 | -62.3 | 168.4 | 0 | 0 | 0 | 111 | I11 R12 E18 G19 T61 L65 Q274 T277 F278 L281 | I11-I15 HydrophobicContact CG2-CD1 3.85Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 WeakPolarHBondContact O-CG1 3.5Å; I11-I15 PolarHBondContact O-N 3.49Å; R12-I15 PolarHBondContact O-N 3.16Å; I15-E18 PolarHBondContact O-N 3.43Å; I15-G19 PolarHBondContact O-N 3.31Å; I15-T61 HydrophobicContact CG2-CG2 3.71Å; I15-L65 HydrophobicContact CB-CD1 3.81Å; I15-L65 HydrophobicContact CG2-CD1 3.47Å; I15-L65 VanDerWaalsContact CG2-CD1 3.47Å; I15-Q274 HydrophobicContact CD1-CB 3.94Å; I15-Q274 HydrophobicContact CD1-CG 4.49Å; I15-Q274 WeakPolarHBondContact CD1-O 3.27Å; I15-T277 HydrophobicContact CG2-CG2 4.37Å; I15-F278 HydrophobicContact CD1-CB 4.29Å; I15-F278 HydrophobicContact CG1-CB 3.97Å; I15-F278 HydrophobicContact CG1-CD2 4.28Å; I15-L281 HydrophobicContact CG2-CD2 3.71Å; I15-L281 WeakPolarHBondContact O-CD2 3.09Å |
| 16 | T | 94 | Very high | 89 | Confident | 29 Ų | 29 | 55 Ų | 55 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | R12 T13 I14 G19 A20 T62 L65 | R12-T16 WeakPolarHBondContact O-CB 3.39Å; R12-T16 PolarHBondContact O-N 3.2Å; R12-T16 PolarHBondContact O-OG1 2.84Å; T13-T16 PolarHBondContact O-N 2.97Å; I14-T16 VanDerWaalsContact C-N 3.28Å; I14-T16 PolarHBondContact O-N 3.37Å; T16-G19 PolarHBondContact O-N 3.19Å; T16-A20 WeakPolarHBondContact O-CB 3.3Å; T16-A20 PolarHBondContact O-N 2.84Å; T16-T62 HydrophobicContact CG2-CG2 4.37Å; T16-L65 VanDerWaalsContact OG1-CB 3.22Å; T16-L65 WeakPolarHBondContact OG1-CB 3.11Å |
| 17 | V | 94.7 | Very high | 90.9 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | T13 I14 A20 L21 | T13-V17 WeakPolarHBondContact O-CG2 3.23Å; T13-V17 PolarHBondContact O-N 3.37Å; I14-V17 PolarHBondContact O-N 3.26Å; V17-A20 WeakPolarHBondContact O-CB 3.31Å; V17-A20 PolarHBondContact O-N 3.4Å; V17-L21 HydrophobicContact CG1-CD1 4.16Å; V17-L21 HydrophobicContact CG1-CG 4.49Å; V17-L21 WeakPolarHBondContact O-CG 3.27Å; V17-L21 PolarHBondContact O-N 3.47Å |
| 18 | E | 94.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 176.3 | -180 | 177 | -144.9 | 0 | 0 | 111.9 | I14 I15 A20 L21 G22 F278 L281 L282 M285 | I14-E18 WeakPolarHBondContact O-CB 3.47Å; I14-E18 PolarHBondContact O-N 2.8Å; I15-E18 PolarHBondContact O-N 3.43Å; E18-A20 VanDerWaalsContact C-N 3.26Å; E18-A20 PolarHBondContact O-N 2.88Å; E18-L21 PolarHBondContact O-N 2.94Å; E18-G22 PolarHBondContact O-N 2.99Å; E18-F278 WeakPolarHBondContact OE2-CD2 3.49Å; E18-F278 VanDerWaalsContact OE2-CE2 3.25Å; E18-F278 WeakPolarHBondContact OE2-CE2 3.46Å; E18-L281 HydrophobicContact CB-CD2 4.23Å; E18-L281 HydrophobicContact CG-CD2 4.06Å; E18-L281 HydrophobicContact CG-CG 4.11Å; E18-L282 WeakPolarHBondContact OE1-CA 3.38Å; E18-L282 WeakPolarHBondContact OE1-CB 3.03Å; E18-L282 VanDerWaalsContact OE1-CD1 3.29Å; E18-L282 WeakPolarHBondContact OE1-CD1 3.48Å; E18-L282 PolarHBondContact OE1-N 2.94Å; E18-L282 VanDerWaalsContact OE1-N 3.17Å; E18-M285 HydrophobicContact CG-SD 4.11Å |
| 19 | G | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I15 T16 G22 T23 T62 | I15-G19 PolarHBondContact O-N 3.31Å; T16-G19 PolarHBondContact O-N 3.19Å; G19-G22 PolarHBondContact O-N 3.44Å; G19-T23 WeakPolarHBondContact O-CB 3.27Å; G19-T23 PolarHBondContact O-N 3.45Å; G19-T23 PolarHBondContact O-OG1 3.48Å; G19-T62 WeakPolarHBondContact CA-OG1 3.5Å; G19-T62 PolarHBondContact O-OG1 2.86Å |
| 20 | A | 96.6 | Very high | 94 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 31% | 0.314 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T16 V17 E18 T23 I24 T62 | T16-A20 WeakPolarHBondContact O-CB 3.3Å; T16-A20 PolarHBondContact O-N 2.84Å; V17-A20 WeakPolarHBondContact O-CB 3.31Å; V17-A20 PolarHBondContact O-N 3.4Å; E18-A20 VanDerWaalsContact C-N 3.26Å; E18-A20 PolarHBondContact O-N 2.88Å; A20-T23 WeakPolarHBondContact O-CB 3.5Å; A20-T23 PolarHBondContact O-N 3.37Å; A20-I24 WeakPolarHBondContact O-CG1 3.25Å; A20-I24 PolarHBondContact O-N 2.88Å; A20-T62 HydrophobicContact CB-CG2 4.21Å; A20-T62 PolarHBondContact N-OG1 3.5Å |
| 21 | L | 96.7 | Very high | 94.3 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 174.3 | -68.5 | 175.8 | 0 | 0 | 0 | 111.9 | V17 E18 I24 S25 M285 | V17-L21 HydrophobicContact CG1-CD1 4.16Å; V17-L21 HydrophobicContact CG1-CG 4.49Å; V17-L21 WeakPolarHBondContact O-CG 3.27Å; V17-L21 PolarHBondContact O-N 3.47Å; E18-L21 PolarHBondContact O-N 2.94Å; L21-I24 PolarHBondContact O-N 3.43Å; L21-S25 WeakPolarHBondContact O-CB 3.38Å; L21-S25 PolarHBondContact O-N 2.95Å; L21-S25 PolarHBondContact O-OG 3.46Å; L21-M285 HydrophobicContact CB-SD 3.82Å |
| 22 | G | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E18 G19 S25 N26 | E18-G22 PolarHBondContact O-N 2.99Å; G19-G22 PolarHBondContact O-N 3.44Å; G22-S25 PolarHBondContact O-N 3.41Å; G22-N26 WeakPolarHBondContact O-CB 3.29Å; G22-N26 PolarHBondContact O-N 2.95Å; G22-N26 PolarHBondContact O-ND2 3.48Å |
| 23 | T | 97.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 10% | 0.104 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 175 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | G19 A20 S25 N26 I27 L55 L59 | G19-T23 WeakPolarHBondContact O-CB 3.27Å; G19-T23 PolarHBondContact O-N 3.45Å; G19-T23 PolarHBondContact O-OG1 3.48Å; A20-T23 WeakPolarHBondContact O-CB 3.5Å; A20-T23 PolarHBondContact O-N 3.37Å; T23-S25 PolarHBondContact O-N 3.44Å; T23-N26 PolarHBondContact O-N 3.06Å; T23-I27 HydrophobicContact CG2-CD1 3.98Å; T23-I27 VanDerWaalsContact O-CG1 3.26Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 3.15Å; T23-L55 HydrophobicContact CG2-CD1 3.7Å; T23-L59 HydrophobicContact CG2-CB 4.47Å; T23-L59 HydrophobicContact CG2-CD1 4.06Å; T23-L59 PolarHBondContact OG1-N 3.19Å |
| 24 | I | 96.1 | Very high | 94.7 | Very high | 111 Ų | 111 | 38.7 Ų | 38.7 | 57% | 0.569 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.3 | -46.6 | 178.1 | -65.7 | 165.6 | 0 | 0 | 0 | 110.8 | A20 L21 N26 I27 A28 | A20-I24 WeakPolarHBondContact O-CG1 3.25Å; A20-I24 PolarHBondContact O-N 2.88Å; L21-I24 PolarHBondContact O-N 3.43Å; I24-N26 PolarHBondContact O-N 3.35Å; I24-I27 PolarHBondContact O-N 2.98Å; I24-A28 PolarHBondContact O-N 2.94Å |
| 25 | S | 95 | Very high | 94.4 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | -178.5 | -60.1 | 0 | 0 | 0 | 0 | 112 | L21 G22 T23 A28 A29 | L21-S25 WeakPolarHBondContact O-CB 3.38Å; L21-S25 PolarHBondContact O-N 2.95Å; L21-S25 PolarHBondContact O-OG 3.46Å; G22-S25 PolarHBondContact O-N 3.41Å; T23-S25 PolarHBondContact O-N 3.44Å; S25-A28 PolarHBondContact O-N 3.38Å; S25-A29 WeakPolarHBondContact O-CB 3.46Å; S25-A29 PolarHBondContact O-N 3.35Å |
| 26 | N | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.5 | -37 | 177.7 | -80.9 | -67.3 | 0 | 0 | 0 | 112.7 | G22 T23 I24 A28 A29 I30 P51 D54 L55 C284 P288 | G22-N26 WeakPolarHBondContact O-CB 3.29Å; G22-N26 PolarHBondContact O-N 2.95Å; G22-N26 PolarHBondContact O-ND2 3.48Å; T23-N26 PolarHBondContact O-N 3.06Å; I24-N26 PolarHBondContact O-N 3.35Å; N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 3.13Å; N26-A29 PolarHBondContact O-N 3.27Å; N26-I30 VanDerWaalsContact O-CG1 3.26Å; N26-I30 WeakPolarHBondContact O-CG1 3.43Å; N26-I30 PolarHBondContact O-N 2.83Å; N26-P51 WeakPolarHBondContact OD1-CA 3.48Å; N26-P51 PolarHBondContact OD1-O 3.09Å; N26-D54 WeakPolarHBondContact OD1-CB 3.21Å; N26-L55 HydrophobicContact CB-CB 3.82Å; N26-L55 HydrophobicContact CB-CD1 4.29Å; N26-C284 PolarHBondContact ND2-O 3.46Å; N26-C284 VanDerWaalsContact ND2-O 3.07Å; N26-P288 WeakPolarHBondContact OD1-CG 3.43Å |
| 27 | I | 96.4 | Very high | 93.7 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 48% | 0.482 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 171.9 | -70.5 | 166.4 | 0 | 0 | 0 | 110.5 | T23 I24 A29 I30 A31 L55 | T23-I27 HydrophobicContact CG2-CD1 3.98Å; T23-I27 VanDerWaalsContact O-CG1 3.26Å; T23-I27 WeakPolarHBondContact O-CG1 3.29Å; T23-I27 PolarHBondContact O-N 3.15Å; I24-I27 PolarHBondContact O-N 2.98Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.18Å; I27-I30 PolarHBondContact O-N 3.22Å; I27-A31 PolarHBondContact O-N 3.4Å; I27-L55 HydrophobicContact CD1-CD1 4.41Å; I27-L55 HydrophobicContact CG1-CD1 3.93Å; I27-L55 HydrophobicContact CG1-CD2 4.23Å |
| 28 | A | 93.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I24 S25 N26 A31 V32 | I24-A28 PolarHBondContact O-N 2.94Å; S25-A28 PolarHBondContact O-N 3.38Å; N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 3.13Å; A28-A31 PolarHBondContact O-N 3.06Å; A28-V32 WeakPolarHBondContact O-CG2 3.38Å; A28-V32 PolarHBondContact O-N 2.65Å; A28-V32 VanDerWaalsContact O-N 3.15Å |
| 29 | A | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S25 N26 I27 A31 V32 V33 P51 P288 I292 | S25-A29 WeakPolarHBondContact O-CB 3.46Å; S25-A29 PolarHBondContact O-N 3.35Å; N26-A29 PolarHBondContact O-N 3.27Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.18Å; A29-A31 VanDerWaalsContact C-N 3.27Å; A29-A31 PolarHBondContact O-N 3.46Å; A29-V32 PolarHBondContact O-N 3.1Å; A29-V32 VanDerWaalsContact O-N 3.15Å; A29-V33 VanDerWaalsContact O-CB 3.24Å; A29-V33 WeakPolarHBondContact O-CB 3.45Å; A29-V33 WeakPolarHBondContact O-CG2 3.13Å; A29-V33 PolarHBondContact O-N 3.3Å; A29-P51 HydrophobicContact CB-CB 4.07Å; A29-P288 HydrophobicContact CB-CB 3.38Å; A29-I292 HydrophobicContact CB-CD1 3.92Å |
| 30 | I | 95.4 | Very high | 91.8 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.205 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 175.9 | -69.4 | 163.4 | 0 | 0 | 0 | 110 | N26 I27 V32 V33 S34 P51 I52 L55 | N26-I30 VanDerWaalsContact O-CG1 3.26Å; N26-I30 WeakPolarHBondContact O-CG1 3.43Å; N26-I30 PolarHBondContact O-N 2.83Å; I27-I30 PolarHBondContact O-N 3.22Å; I30-V32 VanDerWaalsContact C-N 3.33Å; I30-V32 PolarHBondContact O-N 2.93Å; I30-V33 PolarHBondContact O-N 3.16Å; I30-S34 WeakPolarHBondContact O-CB 3.34Å; I30-S34 PolarHBondContact O-N 3.06Å; I30-S34 PolarHBondContact O-OG 3.01Å; I30-P51 HydrophobicContact CG1-CB 3.94Å; I30-P51 HydrophobicContact CG1-CG 3.95Å; I30-I52 HydrophobicContact CD1-CG1 3.92Å; I30-I52 HydrophobicContact CG1-CG1 4.06Å; I30-L55 HydrophobicContact CD1-CB 4.29Å; I30-L55 HydrophobicContact CD1-CD2 3.63Å |
| 31 | A | 92.4 | Very high | 91.4 | Very high | 60 Ų | 60 | 58 Ų | 58 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I27 A28 A29 | I27-A31 PolarHBondContact O-N 3.4Å; A28-A31 PolarHBondContact O-N 3.06Å; A29-A31 VanDerWaalsContact C-N 3.27Å; A29-A31 PolarHBondContact O-N 3.46Å |
| 32 | V | 91.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.6 | -44.8 | -179.3 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | A28 A29 I30 K35 L298 R301 L302 | A28-V32 WeakPolarHBondContact O-CG2 3.38Å; A28-V32 PolarHBondContact O-N 2.65Å; A28-V32 VanDerWaalsContact O-N 3.15Å; A29-V32 PolarHBondContact O-N 3.1Å; A29-V32 VanDerWaalsContact O-N 3.15Å; I30-V32 VanDerWaalsContact C-N 3.33Å; I30-V32 PolarHBondContact O-N 2.93Å; V32-K35 PolarHBondContact O-N 2.82Å; V32-L298 HydrophobicContact CG1-CB 3.98Å; V32-L298 HydrophobicContact CG1-CD2 3.94Å; V32-R301 HydrophobicContact CG1-CB 4.08Å; V32-L302 HydrophobicContact CG2-CB 4.1Å; V32-L302 HydrophobicContact CG2-CD1 3.96Å |
| 33 | V | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.2 | -31.1 | -175 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | A29 I30 K35 A36 F38 R48 L291 L298 | A29-V33 VanDerWaalsContact O-CB 3.24Å; A29-V33 WeakPolarHBondContact O-CB 3.45Å; A29-V33 WeakPolarHBondContact O-CG2 3.13Å; A29-V33 PolarHBondContact O-N 3.3Å; I30-V33 PolarHBondContact O-N 3.16Å; V33-K35 PolarHBondContact O-N 2.87Å; V33-K35 VanDerWaalsContact O-N 3.16Å; V33-A36 PolarHBondContact O-N 3.12Å; V33-F38 HydrophobicContact CB-CE2 4.5Å; V33-F38 HydrophobicContact CG1-CE2 3.55Å; V33-F38 HydrophobicContact CG1-CZ 3.89Å; V33-F38 HydrophobicContact CG2-CZ 4.39Å; V33-R48 HydrophobicContact CG1-CB 4.34Å; V33-R48 HydrophobicContact CG1-CG 3.64Å; V33-R48 PolarHBondContact O-NE 3.37Å; V33-L291 HydrophobicContact CG2-CD2 3.89Å; V33-L298 HydrophobicContact CG2-CD1 4.2Å |
| 34 | S | 89.6 | Confident | 90.4 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.4 | 175.5 | -68.3 | 0 | 0 | 0 | 0 | 113.3 | I30 R48 | I30-S34 WeakPolarHBondContact O-CB 3.34Å; I30-S34 PolarHBondContact O-N 3.06Å; I30-S34 PolarHBondContact O-OG 3.01Å; S34-R48 PolarHBondContact O-NH2 3.01Å |
| 35 | K | 87.9 | Confident | 90.3 | Very high | 160 Ų | 160 | 51.7 Ų | 51.7 | 70% | 0.696 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11.1 | 177.3 | -62.2 | -178.3 | -178.1 | 177.6 | 0 | 112.7 | V32 V33 R301 | V32-K35 PolarHBondContact O-N 2.82Å; V33-K35 PolarHBondContact O-N 2.87Å; V33-K35 VanDerWaalsContact O-N 3.16Å; K35-R301 PolarHBondContact O-NH1 3.47Å |
| 36 | A | 86.8 | Confident | 90.3 | Very high | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | trans | -94.8 | 154.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V33 F38 R48 L298 | V33-A36 PolarHBondContact O-N 3.12Å; A36-F38 HydrophobicContact CB-CD2 4.49Å; A36-F38 HydrophobicContact CB-CE2 3.67Å; A36-F38 HydrophobicContact CB-CZ 3.82Å; A36-R48 PolarHBondContact O-NH2 3.24Å; A36-L298 HydrophobicContact CB-CD2 3.43Å; A36-L298 VanDerWaalsContact CB-CD2 3.43Å | ||
| 37 | Q | 85.8 | Confident | 90.1 | Very high | 169 Ų | 169 | 50.1 Ų | 50.1 | 79% | 0.79 | 27% | 0.274 | S | S | * | . | trans | -120.5 | 128.6 | 174.5 | -69.9 | -177.5 | -17.6 | 0 | 0 | 109.3 | ||||
| 38 | F | 81.9 | Confident | 90.1 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | trans | -111.2 | 44.5 | -172.8 | -62.7 | -87.3 | 0 | 0 | 0 | 112.1 | V33 A36 S43 T44 F47 L234 L291 L298 | V33-F38 HydrophobicContact CB-CE2 4.5Å; V33-F38 HydrophobicContact CG1-CE2 3.55Å; V33-F38 HydrophobicContact CG1-CZ 3.89Å; V33-F38 HydrophobicContact CG2-CZ 4.39Å; A36-F38 HydrophobicContact CB-CD2 4.49Å; A36-F38 HydrophobicContact CB-CE2 3.67Å; A36-F38 HydrophobicContact CB-CZ 3.82Å; F38-S43 VanDerWaalsContact O-CB 3.27Å; F38-S43 WeakPolarHBondContact O-CB 3.38Å; F38-S43 PolarHBondContact O-OG 2.72Å; F38-T44 HydrophobicContact CD2-CG2 4.31Å; F38-T44 PolarHBondContact N-OG1 3.46Å; F38-F47 HydrophobicContact CB-CD2 3.71Å; F38-F47 HydrophobicContact CB-CE2 4.32Å; F38-F47 HydrophobicContact CB-CG 4.4Å; F38-F47 HydrophobicContact CD1-CB 4.49Å; F38-F47 HydrophobicContact CD1-CD2 4.09Å; F38-F47 HydrophobicContact CD1-CG 4.18Å; F38-F47 HydrophobicContact CD2-CB 3.83Å; F38-F47 HydrophobicContact CD2-CD2 4.46Å; F38-F47 HydrophobicContact CD2-CG 4.34Å; F38-F47 HydrophobicContact CE2-CB 4.07Å; F38-F47 HydrophobicContact CG-CB 4.05Å; F38-F47 AromaticContact CG-CD2 3.84Å; F38-F47 HydrophobicContact CG-CD2 3.84Å; F38-F47 HydrophobicContact CG-CG 4.06Å; F38-F47 HydrophobicContact CZ-CB 4.47Å; F38-L234 HydrophobicContact CB-CD1 4.46Å; F38-L234 HydrophobicContact CD1-CD1 4.42Å; F38-L234 HydrophobicContact CD1-CD2 3.8Å; F38-L234 HydrophobicContact CE1-CD2 4.31Å; F38-L291 HydrophobicContact CE1-CD1 4.48Å; F38-L298 HydrophobicContact CE1-CD1 3.89Å; F38-L298 HydrophobicContact CE1-CD2 4.3Å; F38-L298 HydrophobicContact CE1-CG 4.36Å; F38-L298 HydrophobicContact CZ-CD1 3.77Å; F38-L298 HydrophobicContact CZ-CD2 3.78Å; F38-L298 HydrophobicContact CZ-CG 4.23Å | ||
| 39 | G | 79.2 | Confident | 90.2 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 78% | 0.784 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 88.7 | -108.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 40 | S | 85 | Confident | 90.3 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -71.7 | 162 | 179.7 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | F42 S43 T44 | S40-F42 VanDerWaalsContact C-N 3.27Å; S40-F42 PolarHBondContact O-N 3.48Å; S40-S43 VanDerWaalsContact OG-CB 3.29Å; S40-S43 WeakPolarHBondContact OG-CB 3.21Å; S40-S43 PolarHBondContact OG-N 2.92Å; S40-T44 WeakPolarHBondContact O-CB 3.36Å; S40-T44 PolarHBondContact O-N 2.9Å; S40-T44 PolarHBondContact O-OG1 3.44Å |
| 41 | R | 88.1 | Confident | 90.4 | Very high | 216 Ų | 216 | 47 Ų | 47 | 82% | 0.815 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.7 | -40.9 | 172.3 | -70.3 | -176.7 | -180 | 173.8 | -0.4 | 111.3 | T44 F45 | R41-T44 PolarHBondContact O-N 3.43Å; R41-F45 WeakPolarHBondContact O-CB 3.31Å; R41-F45 PolarHBondContact O-N 3.36Å |
| 42 | F | 90 | Very high | 90.7 | Very high | 11 Ų | 11 | 48 Ų | 48 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -52.5 | 178.5 | -177.5 | -115.6 | 0 | 0 | 0 | 112 | S40 T44 F45 I46 D113 F131 F132 Y135 | S40-F42 VanDerWaalsContact C-N 3.27Å; S40-F42 PolarHBondContact O-N 3.48Å; F42-T44 VanDerWaalsContact C-N 3.28Å; F42-T44 PolarHBondContact O-N 3.13Å; F42-F45 WeakPolarHBondContact O-CA 3.48Å; F42-F45 WeakPolarHBondContact O-CB 3.34Å; F42-F45 PolarHBondContact O-N 2.92Å; F42-I46 HydrophobicContact CD1-CD1 3.63Å; F42-I46 HydrophobicContact CD2-CD1 4.24Å; F42-I46 HydrophobicContact CD2-CG1 4.37Å; F42-I46 HydrophobicContact CE1-CD1 3.17Å; F42-I46 HydrophobicContact CE1-CG1 4.25Å; F42-I46 HydrophobicContact CE2-CD1 3.83Å; F42-I46 HydrophobicContact CE2-CG1 4.07Å; F42-I46 HydrophobicContact CG-CD1 4.15Å; F42-I46 HydrophobicContact CZ-CD1 3.29Å; F42-I46 HydrophobicContact CZ-CG1 4.02Å; F42-I46 WeakPolarHBondContact O-CG1 3.4Å; F42-I46 PolarHBondContact O-N 3.44Å; F42-D113 HydrophobicContact CD1-CB 4.37Å; F42-D113 WeakPolarHBondContact CD1-OD1 3.35Å; F42-D113 HydrophobicContact CE1-CB 4.09Å; F42-F131 HydrophobicContact CD1-CB 3.9Å; F42-F131 HydrophobicContact CD1-CG 4.46Å; F42-F131 HydrophobicContact CD2-CB 4.14Å; F42-F131 HydrophobicContact CE1-CB 3.86Å; F42-F131 HydrophobicContact CE1-CG 4.44Å; F42-F131 HydrophobicContact CE2-CB 4.14Å; F42-F131 WeakPolarHBondContact CE2-O 3.29Å; F42-F131 HydrophobicContact CG-CB 4.03Å; F42-F131 HydrophobicContact CZ-CB 3.98Å; F42-F132 HydrophobicContact CB-CD2 4.49Å; F42-F132 HydrophobicContact CB-CE2 3.93Å; F42-F132 HydrophobicContact CB-CZ 4.13Å; F42-F132 AromaticContact CD2-CD1 3.84Å; F42-F132 HydrophobicContact CD2-CD1 3.84Å; F42-F132 HydrophobicContact CD2-CD2 4.05Å; F42-F132 AromaticContact CD2-CE1 3.88Å; F42-F132 HydrophobicContact CD2-CE1 3.88Å; F42-F132 HydrophobicContact CD2-CE2 4.06Å; F42-F132 AromaticContact CD2-CG 3.93Å; F42-F132 HydrophobicContact CD2-CG 3.93Å; F42-F132 AromaticContact CD2-CZ 3.98Å; F42-F132 HydrophobicContact CD2-CZ 3.98Å; F42-F132 HydrophobicContact CE2-CD1 4.29Å; F42-F132 HydrophobicContact CE2-CG 4.46Å; F42-Y135 HydrophobicContact CE2-CD2 4.32Å; F42-Y135 HydrophobicContact CE2-CG 4.08Å; F42-Y135 HydrophobicContact CZ-CD2 4.26Å; F42-Y135 HydrophobicContact CZ-CG 4.35Å |
| 43 | S | 89.7 | Confident | 91 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.3 | -47.1 | 173.7 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | F38 S40 F45 I46 F47 D113 R114 | F38-S43 VanDerWaalsContact O-CB 3.27Å; F38-S43 WeakPolarHBondContact O-CB 3.38Å; F38-S43 PolarHBondContact O-OG 2.72Å; S40-S43 VanDerWaalsContact OG-CB 3.29Å; S40-S43 WeakPolarHBondContact OG-CB 3.21Å; S40-S43 PolarHBondContact OG-N 2.92Å; S43-F45 VanDerWaalsContact C-N 3.28Å; S43-F45 PolarHBondContact O-N 3.23Å; S43-I46 PolarHBondContact O-N 2.92Å; S43-F47 VanDerWaalsContact O-CD2 3.26Å; S43-F47 WeakPolarHBondContact O-CD2 3.25Å; S43-F47 PolarHBondContact O-N 3.48Å; S43-D113 WeakPolarHBondContact CA-OD2 3.28Å; S43-D113 VanDerWaalsContact CB-OD2 3.27Å; S43-D113 WeakPolarHBondContact CB-OD2 3.24Å; S43-R114 PolarHBondContact OG-NH2 2.93Å |
| 44 | T | 91.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | F38 S40 R41 F42 R48 | F38-T44 HydrophobicContact CD2-CG2 4.31Å; F38-T44 PolarHBondContact N-OG1 3.46Å; S40-T44 WeakPolarHBondContact O-CB 3.36Å; S40-T44 PolarHBondContact O-N 2.9Å; S40-T44 PolarHBondContact O-OG1 3.44Å; R41-T44 PolarHBondContact O-N 3.43Å; F42-T44 VanDerWaalsContact C-N 3.28Å; F42-T44 PolarHBondContact O-N 3.13Å; T44-R48 WeakPolarHBondContact O-CB 3.28Å; T44-R48 WeakPolarHBondContact O-CD 3.2Å; T44-R48 WeakPolarHBondContact O-CG 3.47Å; T44-R48 PolarHBondContact O-N 2.9Å; T44-R48 VanDerWaalsContact O-N 3.16Å |
| 45 | F | 94.2 | Very high | 91.7 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 26% | 0.259 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -52.3 | 175.2 | 167.8 | -97.9 | 0 | 0 | 0 | 111.4 | R41 F42 S43 F47 R48 V49 F132 Y135 F136 | R41-F45 WeakPolarHBondContact O-CB 3.31Å; R41-F45 PolarHBondContact O-N 3.36Å; F42-F45 WeakPolarHBondContact O-CA 3.48Å; F42-F45 WeakPolarHBondContact O-CB 3.34Å; F42-F45 PolarHBondContact O-N 2.92Å; S43-F45 VanDerWaalsContact C-N 3.28Å; S43-F45 PolarHBondContact O-N 3.23Å; F45-F47 VanDerWaalsContact C-N 3.34Å; F45-F47 PolarHBondContact O-N 2.93Å; F45-R48 WeakPolarHBondContact O-CB 3.33Å; F45-R48 PolarHBondContact O-N 2.91Å; F45-V49 HydrophobicContact CD1-CG2 4.5Å; F45-V49 HydrophobicContact CD2-CG2 3.96Å; F45-V49 HydrophobicContact CE1-CG2 4.19Å; F45-V49 HydrophobicContact CE2-CG2 3.61Å; F45-V49 HydrophobicContact CG-CG2 4.39Å; F45-V49 HydrophobicContact CZ-CG2 3.75Å; F45-V49 WeakPolarHBondContact O-CG2 3.2Å; F45-V49 PolarHBondContact O-N 3.37Å; F45-F132 HydrophobicContact CB-CE1 3.84Å; F45-F132 HydrophobicContact CB-CZ 4Å; F45-F132 HydrophobicContact CD1-CD1 4.25Å; F45-F132 AromaticContact CD1-CE1 3.59Å; F45-F132 HydrophobicContact CD1-CE1 3.59Å; F45-F132 HydrophobicContact CD2-CE1 4.23Å; F45-F132 HydrophobicContact CE1-CD1 4.46Å; F45-F132 HydrophobicContact CE1-CE1 4.16Å; F45-F132 AromaticContact CG-CE1 3.63Å; F45-F132 HydrophobicContact CG-CE1 3.63Å; F45-F132 HydrophobicContact CG-CZ 4.29Å; F45-Y135 AromaticContact CE1-CD1 3.96Å; F45-Y135 HydrophobicContact CE1-CD1 3.96Å; F45-Y135 AromaticContact CE1-CE1 3.53Å; F45-Y135 HydrophobicContact CE1-CE1 3.53Å; F45-Y135 AromaticContact CE1-CZ 3.9Å; F45-Y135 HydrophobicContact CZ-CE1 4.07Å; F45-F136 HydrophobicContact CE1-CZ 4.39Å; F45-F136 HydrophobicContact CZ-CE1 4.32Å; F45-F136 AromaticContact CZ-CZ 3.84Å; F45-F136 HydrophobicContact CZ-CZ 3.84Å |
| 46 | I | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | -177.5 | -56.1 | 167.5 | 0 | 0 | 0 | 111.2 | F42 S43 R48 V49 Q50 N106 C109 L110 D113 Y135 | F42-I46 HydrophobicContact CD1-CD1 3.63Å; F42-I46 HydrophobicContact CD2-CD1 4.24Å; F42-I46 HydrophobicContact CD2-CG1 4.37Å; F42-I46 HydrophobicContact CE1-CD1 3.17Å; F42-I46 HydrophobicContact CE1-CG1 4.25Å; F42-I46 HydrophobicContact CE2-CD1 3.83Å; F42-I46 HydrophobicContact CE2-CG1 4.07Å; F42-I46 HydrophobicContact CG-CD1 4.15Å; F42-I46 HydrophobicContact CZ-CD1 3.29Å; F42-I46 HydrophobicContact CZ-CG1 4.02Å; F42-I46 WeakPolarHBondContact O-CG1 3.4Å; F42-I46 PolarHBondContact O-N 3.44Å; S43-I46 PolarHBondContact O-N 2.92Å; I46-R48 VanDerWaalsContact C-N 3.29Å; I46-R48 PolarHBondContact O-N 3.11Å; I46-V49 PolarHBondContact O-N 3.21Å; I46-Q50 PolarHBondContact O-N 2.95Å; I46-Q50 VanDerWaalsContact O-N 3.07Å; I46-N106 WeakPolarHBondContact CG2-ND2 3.29Å; I46-N106 WeakPolarHBondContact CG2-OD1 3.27Å; I46-N106 PolarHBondContact O-ND2 3.35Å; I46-N106 VanDerWaalsContact O-ND2 3.14Å; I46-C109 HydrophobicContact CD1-CB 4.44Å; I46-L110 HydrophobicContact CB-CD2 3.76Å; I46-L110 HydrophobicContact CB-CG 4.38Å; I46-L110 HydrophobicContact CG2-CB 4.4Å; I46-L110 HydrophobicContact CG2-CD1 4.37Å; I46-L110 HydrophobicContact CG2-CD2 3.31Å; I46-L110 HydrophobicContact CG2-CG 3.38Å; I46-D113 HydrophobicContact CD1-CB 4Å; I46-Y135 HydrophobicContact CG1-CD2 4.48Å; I46-Y135 HydrophobicContact CG1-CE2 4.33Å |
| 47 | F | 94 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -29.9 | 176.1 | -86.2 | -68.8 | 0 | 0 | 0 | 113.5 | F38 S43 F45 P51 L110 L234 T238 L291 | F38-F47 HydrophobicContact CB-CD2 3.71Å; F38-F47 HydrophobicContact CB-CE2 4.32Å; F38-F47 HydrophobicContact CB-CG 4.4Å; F38-F47 HydrophobicContact CD1-CB 4.49Å; F38-F47 HydrophobicContact CD1-CD2 4.09Å; F38-F47 HydrophobicContact CD1-CG 4.18Å; F38-F47 HydrophobicContact CD2-CB 3.83Å; F38-F47 HydrophobicContact CD2-CD2 4.46Å; F38-F47 HydrophobicContact CD2-CG 4.34Å; F38-F47 HydrophobicContact CE2-CB 4.07Å; F38-F47 HydrophobicContact CG-CB 4.05Å; F38-F47 AromaticContact CG-CD2 3.84Å; F38-F47 HydrophobicContact CG-CD2 3.84Å; F38-F47 HydrophobicContact CG-CG 4.06Å; F38-F47 HydrophobicContact CZ-CB 4.47Å; S43-F47 VanDerWaalsContact O-CD2 3.26Å; S43-F47 WeakPolarHBondContact O-CD2 3.25Å; S43-F47 PolarHBondContact O-N 3.48Å; F45-F47 VanDerWaalsContact C-N 3.34Å; F45-F47 PolarHBondContact O-N 2.93Å; F47-P51 WeakPolarHBondContact O-CD 3.46Å; F47-L110 HydrophobicContact CD1-CD1 4.46Å; F47-L110 HydrophobicContact CD1-CD2 3.98Å; F47-L110 HydrophobicContact CD2-CD2 3.85Å; F47-L110 HydrophobicContact CE1-CD1 4.37Å; F47-L110 HydrophobicContact CE1-CD2 3.97Å; F47-L110 HydrophobicContact CE2-CD2 3.83Å; F47-L110 HydrophobicContact CG-CD2 3.92Å; F47-L110 HydrophobicContact CZ-CD2 3.88Å; F47-L234 HydrophobicContact CE1-CD2 4.33Å; F47-L234 HydrophobicContact CE2-CD1 4.39Å; F47-L234 HydrophobicContact CE2-CD2 4.13Å; F47-L234 HydrophobicContact CZ-CB 4.32Å; F47-L234 HydrophobicContact CZ-CD2 3.82Å; F47-T238 HydrophobicContact CE1-CG2 4.26Å; F47-T238 HydrophobicContact CZ-CG2 3.92Å; F47-L291 HydrophobicContact CD1-CD1 3.62Å; F47-L291 HydrophobicContact CD1-CD2 4.27Å; F47-L291 HydrophobicContact CE1-CD1 3.72Å |
| 48 | R | 95.3 | Very high | 93.2 | Very high | 87 Ų | 87 | 32.2 Ų | 32.2 | 33% | 0.328 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -78 | -34 | 176.5 | -78.4 | 171.6 | -177.6 | -168.2 | 3.8 | 112.6 | V33 S34 A36 T44 F45 I46 P51 I52 | V33-R48 HydrophobicContact CG1-CB 4.34Å; V33-R48 HydrophobicContact CG1-CG 3.64Å; V33-R48 PolarHBondContact O-NE 3.37Å; S34-R48 PolarHBondContact O-NH2 3.01Å; A36-R48 PolarHBondContact O-NH2 3.24Å; T44-R48 WeakPolarHBondContact O-CB 3.28Å; T44-R48 WeakPolarHBondContact O-CD 3.2Å; T44-R48 WeakPolarHBondContact O-CG 3.47Å; T44-R48 PolarHBondContact O-N 2.9Å; T44-R48 VanDerWaalsContact O-N 3.16Å; F45-R48 WeakPolarHBondContact O-CB 3.33Å; F45-R48 PolarHBondContact O-N 2.91Å; I46-R48 VanDerWaalsContact C-N 3.29Å; I46-R48 PolarHBondContact O-N 3.11Å; R48-P51 WeakPolarHBondContact O-CD 3.3Å; R48-P51 WeakPolarHBondContact O-CG 3.31Å; R48-I52 WeakPolarHBondContact O-CG1 3.35Å |
| 49 | V | 96.1 | Very high | 94 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -76.4 | -31.7 | -179.1 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | F45 I46 I52 F53 | F45-V49 HydrophobicContact CD1-CG2 4.5Å; F45-V49 HydrophobicContact CD2-CG2 3.96Å; F45-V49 HydrophobicContact CE1-CG2 4.19Å; F45-V49 HydrophobicContact CE2-CG2 3.61Å; F45-V49 HydrophobicContact CG-CG2 4.39Å; F45-V49 HydrophobicContact CZ-CG2 3.75Å; F45-V49 WeakPolarHBondContact O-CG2 3.2Å; F45-V49 PolarHBondContact O-N 3.37Å; I46-V49 PolarHBondContact O-N 3.21Å; V49-I52 WeakPolarHBondContact O-CA 3.39Å; V49-I52 WeakPolarHBondContact O-CB 3.35Å; V49-I52 PolarHBondContact O-N 3.08Å; V49-F53 HydrophobicContact CG1-CD1 4.1Å; V49-F53 HydrophobicContact CG1-CD2 3.64Å; V49-F53 HydrophobicContact CG1-CE1 3.63Å; V49-F53 HydrophobicContact CG1-CE2 3.14Å; V49-F53 HydrophobicContact CG1-CG 4.12Å; V49-F53 HydrophobicContact CG1-CZ 3.13Å; V49-F53 PolarHBondContact O-N 3.04Å |
| 50 | Q | 96.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -48.9 | -57.5 | 177.1 | -175.3 | 62.7 | 42 | 0 | 0 | 113.9 | I46 I52 F53 D54 S103 N106 M241 | I46-Q50 PolarHBondContact O-N 2.95Å; I46-Q50 VanDerWaalsContact O-N 3.07Å; Q50-I52 PolarHBondContact O-N 2.6Å; Q50-F53 PolarHBondContact O-N 2.9Å; Q50-F53 VanDerWaalsContact O-N 3.17Å; Q50-D54 PolarHBondContact NE2-OD1 3.28Å; Q50-D54 PolarHBondContact NE2-OD2 3.44Å; Q50-D54 PolarHBondContact O-N 3.29Å; Q50-S103 PolarHBondContact NE2-OG 3.08Å; Q50-N106 WeakPolarHBondContact CB-ND2 3.3Å; Q50-N106 PolarHBondContact OE1-ND2 3.4Å; Q50-M241 HydrophobicContact CG-CE 3.86Å |
| 51 | P | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.4 | -17 | 179 | 30.2 | -38.5 | 0 | 0 | 0 | 113.4 | N26 A29 I30 F47 R48 L55 | N26-P51 WeakPolarHBondContact OD1-CA 3.48Å; N26-P51 PolarHBondContact OD1-O 3.09Å; A29-P51 HydrophobicContact CB-CB 4.07Å; I30-P51 HydrophobicContact CG1-CB 3.94Å; I30-P51 HydrophobicContact CG1-CG 3.95Å; F47-P51 WeakPolarHBondContact O-CD 3.46Å; R48-P51 WeakPolarHBondContact O-CD 3.3Å; R48-P51 WeakPolarHBondContact O-CG 3.31Å; P51-L55 WeakPolarHBondContact O-CB 3.37Å; P51-L55 PolarHBondContact O-N 3.01Å |
| 52 | I | 97.7 | Very high | 95.5 | Very high | 81 Ų | 81 | 21.5 Ų | 21.5 | 42% | 0.415 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -73.4 | -42.7 | 172.9 | -61.1 | 173 | 0 | 0 | 0 | 110 | I30 R48 V49 Q50 L55 G56 | I30-I52 HydrophobicContact CD1-CG1 3.92Å; I30-I52 HydrophobicContact CG1-CG1 4.06Å; R48-I52 WeakPolarHBondContact O-CG1 3.35Å; V49-I52 WeakPolarHBondContact O-CA 3.39Å; V49-I52 WeakPolarHBondContact O-CB 3.35Å; V49-I52 PolarHBondContact O-N 3.08Å; Q50-I52 PolarHBondContact O-N 2.6Å; I52-L55 PolarHBondContact O-N 3.45Å; I52-G56 PolarHBondContact O-N 3.18Å |
| 53 | F | 98.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 24.1 Ų | 24.1 | 13% | 0.127 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 174.8 | -63.3 | -26.2 | 0 | 0 | 0 | 111.5 | V49 Q50 L55 G56 A57 L102 N106 M139 | V49-F53 HydrophobicContact CG1-CD1 4.1Å; V49-F53 HydrophobicContact CG1-CD2 3.64Å; V49-F53 HydrophobicContact CG1-CE1 3.63Å; V49-F53 HydrophobicContact CG1-CE2 3.14Å; V49-F53 HydrophobicContact CG1-CG 4.12Å; V49-F53 HydrophobicContact CG1-CZ 3.13Å; V49-F53 PolarHBondContact O-N 3.04Å; Q50-F53 PolarHBondContact O-N 2.9Å; Q50-F53 VanDerWaalsContact O-N 3.17Å; F53-L55 VanDerWaalsContact C-N 3.32Å; F53-L55 PolarHBondContact O-N 3.44Å; F53-G56 PolarHBondContact O-N 3.37Å; F53-G56 VanDerWaalsContact O-N 3.1Å; F53-A57 PolarHBondContact O-N 2.87Å; F53-L102 HydrophobicContact CB-CB 4.22Å; F53-L102 HydrophobicContact CD1-CB 3.82Å; F53-L102 HydrophobicContact CD1-CD1 3.99Å; F53-L102 HydrophobicContact CD1-CG 4.5Å; F53-L102 VanDerWaalsContact CD2-C 3.49Å; F53-L102 HydrophobicContact CD2-CB 3.71Å; F53-L102 VanDerWaalsContact CD2-O 3.29Å; F53-L102 WeakPolarHBondContact CD2-O 3.46Å; F53-L102 HydrophobicContact CE1-CB 4Å; F53-L102 HydrophobicContact CE1-CD1 3.83Å; F53-L102 HydrophobicContact CE1-CG 4.34Å; F53-L102 HydrophobicContact CE2-CB 3.86Å; F53-L102 HydrophobicContact CG-CB 3.67Å; F53-L102 HydrophobicContact CZ-CB 4.01Å; F53-L102 HydrophobicContact CZ-CD1 4.36Å; F53-L102 HydrophobicContact CZ-CD2 4.24Å; F53-L102 HydrophobicContact CZ-CG 4.44Å; F53-N106 HydrophobicContact CD2-CB 3.79Å; F53-N106 HydrophobicContact CE2-CB 3.84Å; F53-M139 HydrophobicContact CE2-CE 3.77Å; F53-M139 HydrophobicContact CZ-CE 4.2Å |
| 54 | D | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.4 | -69.3 | -33.2 | 0 | 0 | 0 | 111.7 | N26 Q50 G56 A57 C58 S103 C284 N287 | N26-D54 WeakPolarHBondContact OD1-CB 3.21Å; Q50-D54 PolarHBondContact NE2-OD1 3.28Å; Q50-D54 PolarHBondContact NE2-OD2 3.44Å; Q50-D54 PolarHBondContact O-N 3.29Å; D54-G56 PolarHBondContact O-N 3.23Å; D54-A57 PolarHBondContact O-N 2.94Å; D54-C58 PolarHBondContact O-N 3.27Å; D54-C58 PolarHBondContact O-SG 2.88Å; D54-C58 VanDerWaalsContact O-SG 3.33Å; D54-S103 WeakPolarHBondContact OD1-CB 3.4Å; D54-S103 PolarHBondContact OD1-OG 3Å; D54-C284 HydrophobicContact CB-CB 4.08Å; D54-C284 PolarHBondContact OD1-SG 3.5Å; D54-N287 WeakPolarHBondContact OD2-CB 3.19Å; D54-N287 PolarHBondContact OD2-ND2 3.4Å |
| 55 | L | 98.2 | Very high | 95.8 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 16% | 0.162 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.5 | -46.9 | 171 | 175.8 | 61 | 0 | 0 | 0 | 111.6 | T23 N26 I27 I30 P51 I52 F53 A57 C58 L59 | T23-L55 HydrophobicContact CG2-CD1 3.7Å; N26-L55 HydrophobicContact CB-CB 3.82Å; N26-L55 HydrophobicContact CB-CD1 4.29Å; I27-L55 HydrophobicContact CD1-CD1 4.41Å; I27-L55 HydrophobicContact CG1-CD1 3.93Å; I27-L55 HydrophobicContact CG1-CD2 4.23Å; I30-L55 HydrophobicContact CD1-CB 4.29Å; I30-L55 HydrophobicContact CD1-CD2 3.63Å; P51-L55 WeakPolarHBondContact O-CB 3.37Å; P51-L55 PolarHBondContact O-N 3.01Å; I52-L55 PolarHBondContact O-N 3.45Å; F53-L55 VanDerWaalsContact C-N 3.32Å; F53-L55 PolarHBondContact O-N 3.44Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.44Å; L55-C58 PolarHBondContact O-N 2.78Å; L55-L59 HydrophobicContact CD1-CB 4.45Å; L55-L59 WeakPolarHBondContact O-CB 3.33Å; L55-L59 PolarHBondContact O-N 2.9Å |
| 56 | G | 97.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I52 F53 D54 S60 F99 | I52-G56 PolarHBondContact O-N 3.18Å; F53-G56 PolarHBondContact O-N 3.37Å; F53-G56 VanDerWaalsContact O-N 3.1Å; D54-G56 PolarHBondContact O-N 3.23Å; G56-S60 WeakPolarHBondContact O-CB 3.42Å; G56-S60 PolarHBondContact O-N 3.35Å; G56-S60 PolarHBondContact O-OG 3.43Å; G56-F99 VanDerWaalsContact C-CG 3.44Å; G56-F99 WeakPolarHBondContact O-CD2 3.38Å |
| 57 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.3 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F53 D54 L55 S60 T61 F96 F99 | F53-A57 PolarHBondContact O-N 2.87Å; D54-A57 PolarHBondContact O-N 2.94Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.44Å; A57-S60 PolarHBondContact O-OG 3.49Å; A57-S60 VanDerWaalsContact O-OG 3.06Å; A57-T61 PolarHBondContact O-N 3.41Å; A57-T61 PolarHBondContact O-OG1 3.01Å; A57-F96 HydrophobicContact CB-CD2 3.94Å; A57-F96 HydrophobicContact CB-CE2 4.12Å; A57-F99 HydrophobicContact CB-CB 3.83Å; A57-F99 VanDerWaalsContact N-CB 3.27Å |
| 58 | C | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 179.3 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | D54 L55 T61 T62 L281 | D54-C58 PolarHBondContact O-N 3.27Å; D54-C58 PolarHBondContact O-SG 2.88Å; D54-C58 VanDerWaalsContact O-SG 3.33Å; L55-C58 PolarHBondContact O-N 2.78Å; C58-T61 PolarHBondContact O-N 2.93Å; C58-T62 PolarHBondContact O-N 2.96Å; C58-T62 PolarHBondContact O-OG1 2.91Å; C58-L281 HydrophobicContact CB-CD1 4.15Å |
| 59 | L | 97.2 | Very high | 93.8 | Very high | 80 Ų | 80 | 28.6 Ų | 28.6 | 42% | 0.419 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.8 | -45.6 | -178 | -179.1 | 64.5 | 0 | 0 | 0 | 111.4 | T23 L55 T61 T62 V63 | T23-L59 HydrophobicContact CG2-CB 4.47Å; T23-L59 HydrophobicContact CG2-CD1 4.06Å; T23-L59 PolarHBondContact OG1-N 3.19Å; L55-L59 HydrophobicContact CD1-CB 4.45Å; L55-L59 WeakPolarHBondContact O-CB 3.33Å; L55-L59 PolarHBondContact O-N 2.9Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.41Å; L59-T62 PolarHBondContact O-N 3.3Å; L59-V63 HydrophobicContact CD1-CG2 3.81Å; L59-V63 HydrophobicContact CG-CG2 4.23Å; L59-V63 WeakPolarHBondContact O-CB 3.29Å; L59-V63 VanDerWaalsContact O-CG2 3.25Å; L59-V63 WeakPolarHBondContact O-CG2 3.4Å; L59-V63 PolarHBondContact O-N 2.98Å |
| 60 | S | 95.6 | Very high | 93 | Very high | 7 Ų | 7 | 34 Ų | 34 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 179 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | G56 A57 Y64 F96 | G56-S60 WeakPolarHBondContact O-CB 3.42Å; G56-S60 PolarHBondContact O-N 3.35Å; G56-S60 PolarHBondContact O-OG 3.43Å; A57-S60 PolarHBondContact O-OG 3.49Å; A57-S60 VanDerWaalsContact O-OG 3.06Å; S60-Y64 WeakPolarHBondContact O-CB 3.24Å; S60-Y64 PolarHBondContact O-N 3.12Å; S60-F96 VanDerWaalsContact OG-CA 3.31Å; S60-F96 WeakPolarHBondContact OG-CA 3.36Å; S60-F96 PolarHBondContact OG-N 2.98Å |
| 61 | T | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | 176.4 | -64 | 0 | 0 | 0 | 0 | 112.6 | I15 A57 C58 L59 Y64 L65 N93 F96 T277 L281 | I15-T61 HydrophobicContact CG2-CG2 3.71Å; A57-T61 PolarHBondContact O-N 3.41Å; A57-T61 PolarHBondContact O-OG1 3.01Å; C58-T61 PolarHBondContact O-N 2.93Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.41Å; T61-Y64 PolarHBondContact O-N 3.04Å; T61-L65 HydrophobicContact CG2-CD1 3.86Å; T61-L65 HydrophobicContact CG2-CG 4.38Å; T61-L65 WeakPolarHBondContact O-CB 3.45Å; T61-L65 WeakPolarHBondContact O-CG 3.27Å; T61-L65 PolarHBondContact O-N 2.95Å; T61-N93 PolarHBondContact OG1-ND2 2.84Å; T61-F96 WeakPolarHBondContact OG1-CD2 3.28Å; T61-F96 WeakPolarHBondContact OG1-CG 3.23Å; T61-T277 HydrophobicContact CG2-CG2 4.44Å; T61-L281 HydrophobicContact CG2-CD2 4.03Å |
| 62 | T | 94.9 | Very high | 90.1 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 178.1 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | T16 G19 A20 C58 L59 L65 A66 | T16-T62 HydrophobicContact CG2-CG2 4.37Å; G19-T62 WeakPolarHBondContact CA-OG1 3.5Å; G19-T62 PolarHBondContact O-OG1 2.86Å; A20-T62 HydrophobicContact CB-CG2 4.21Å; A20-T62 PolarHBondContact N-OG1 3.5Å; C58-T62 PolarHBondContact O-N 2.96Å; C58-T62 PolarHBondContact O-OG1 2.91Å; L59-T62 PolarHBondContact O-N 3.3Å; T62-L65 PolarHBondContact O-N 2.87Å; T62-A66 WeakPolarHBondContact O-CB 3.36Å; T62-A66 PolarHBondContact O-N 2.69Å |
| 63 | V | 93.3 | Very high | 88.1 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 39% | 0.394 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | -179.7 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | L59 F67 W90 | L59-V63 HydrophobicContact CD1-CG2 3.81Å; L59-V63 HydrophobicContact CG-CG2 4.23Å; L59-V63 WeakPolarHBondContact O-CB 3.29Å; L59-V63 VanDerWaalsContact O-CG2 3.25Å; L59-V63 WeakPolarHBondContact O-CG2 3.4Å; L59-V63 PolarHBondContact O-N 2.98Å; V63-F67 WeakPolarHBondContact O-CB 3.3Å; V63-F67 PolarHBondContact O-N 3.46Å; V63-W90 HydrophobicContact CB-CH2 3.88Å; V63-W90 HydrophobicContact CB-CZ2 4.34Å; V63-W90 HydrophobicContact CG1-CH2 3.53Å; V63-W90 HydrophobicContact CG1-CZ2 3.79Å |
| 64 | Y | 91.6 | Very high | 86.3 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -51.4 | 176.2 | 174.7 | -99.6 | 0 | 0 | 0 | 112 | S60 T61 H68 W90 N93 Y268 | S60-Y64 WeakPolarHBondContact O-CB 3.24Å; S60-Y64 PolarHBondContact O-N 3.12Å; T61-Y64 PolarHBondContact O-N 3.04Å; Y64-H68 VanDerWaalsContact O-CB 3.31Å; Y64-H68 WeakPolarHBondContact O-CB 3.33Å; Y64-H68 PolarHBondContact O-N 3.42Å; Y64-W90 AromaticContact CD2-NE1 3.67Å; Y64-W90 WeakPolarHBondContact CE2-O 3.34Å; Y64-N93 HydrophobicContact CD1-CB 3.58Å; Y64-N93 HydrophobicContact CD2-CB 4.3Å; Y64-N93 HydrophobicContact CE1-CB 3.82Å; Y64-N93 HydrophobicContact CG-CB 3.86Å; Y64-Y268 PolarHBondContact OH-OH 3.01Å |
| 65 | L | 90.3 | Very high | 84.6 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.5 | -38.5 | -177.5 | -67.7 | 177 | 0 | 0 | 0 | 112.7 | I15 T16 T61 T62 H68 S69 | I15-L65 HydrophobicContact CB-CD1 3.81Å; I15-L65 HydrophobicContact CG2-CD1 3.47Å; I15-L65 VanDerWaalsContact CG2-CD1 3.47Å; T16-L65 VanDerWaalsContact OG1-CB 3.22Å; T16-L65 WeakPolarHBondContact OG1-CB 3.11Å; T61-L65 HydrophobicContact CG2-CD1 3.86Å; T61-L65 HydrophobicContact CG2-CG 4.38Å; T61-L65 WeakPolarHBondContact O-CB 3.45Å; T61-L65 WeakPolarHBondContact O-CG 3.27Å; T61-L65 PolarHBondContact O-N 2.95Å; T62-L65 PolarHBondContact O-N 2.87Å; L65-H68 PolarHBondContact O-N 2.96Å; L65-S69 WeakPolarHBondContact O-CB 3.43Å; L65-S69 PolarHBondContact O-N 2.84Å; L65-S69 PolarHBondContact O-OG 2.68Å |
| 66 | A | 88.5 | Confident | 83.3 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T62 S69 I70 | T62-A66 WeakPolarHBondContact O-CB 3.36Å; T62-A66 PolarHBondContact O-N 2.69Å; A66-S69 PolarHBondContact O-N 2.9Å; A66-I70 WeakPolarHBondContact O-CG1 3.24Å; A66-I70 PolarHBondContact O-N 3.39Å; A66-I70 VanDerWaalsContact O-N 3.14Å |
| 67 | F | 85.6 | Confident | 82.5 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 178 | -172.3 | -93.5 | 0 | 0 | 0 | 111.7 | V63 S69 I70 M71 Y75 | V63-F67 WeakPolarHBondContact O-CB 3.3Å; V63-F67 PolarHBondContact O-N 3.46Å; F67-S69 PolarHBondContact O-N 2.88Å; F67-I70 PolarHBondContact O-N 3.19Å; F67-I70 VanDerWaalsContact O-N 3.14Å; F67-M71 HydrophobicContact CD1-CB 4.32Å; F67-M71 HydrophobicContact CD2-CG 4.43Å; F67-M71 HydrophobicContact CE1-CB 3.86Å; F67-M71 HydrophobicContact CE1-CG 4.27Å; F67-M71 HydrophobicContact CE2-CB 4.39Å; F67-M71 HydrophobicContact CE2-CG 3.91Å; F67-M71 HydrophobicContact CZ-CB 3.91Å; F67-M71 HydrophobicContact CZ-CG 3.82Å; F67-M71 PolarHBondContact O-N 3.41Å; F67-Y75 HydrophobicContact CD1-CD1 4.36Å; F67-Y75 HydrophobicContact CD1-CE1 4.12Å; F67-Y75 AromaticContact CE1-CD1 3.92Å; F67-Y75 HydrophobicContact CE1-CD1 3.92Å; F67-Y75 HydrophobicContact CE1-CE1 4.08Å |
| 68 | H | 83.3 | Confident | 81.6 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 17% | 0.171 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 176.6 | -174.2 | 109.5 | 0 | 0 | 0 | 112.3 | R12 Y64 L65 I70 Y75 | R12-H68 PolarHBondContact NH1-CD2 3.32Å; R12-H68 PolarHBondContact NH1-NE2 3.23Å; R12-H68 PolarHBondContact NH2-CD2 3.46Å; R12-H68 PolarHBondContact NH2-CE1 3.31Å; R12-H68 PolarHBondContact NH2-ND1 3.31Å; R12-H68 PolarHBondContact NH2-NE2 3.33Å; Y64-H68 VanDerWaalsContact O-CB 3.31Å; Y64-H68 WeakPolarHBondContact O-CB 3.33Å; Y64-H68 PolarHBondContact O-N 3.42Å; L65-H68 PolarHBondContact O-N 2.96Å; H68-I70 VanDerWaalsContact C-N 3.32Å; H68-Y75 PolarHBondContact CE1-OH 3.44Å; H68-Y75 VanDerWaalsContact CE1-OH 3.3Å; H68-Y75 VanDerWaalsContact CG-OH 3.3Å; H68-Y75 AromaticContact ND1-CZ 3.93Å; H68-Y75 PolarHBondContact ND1-OH 3.45Å |
| 69 | S | 79.1 | Confident | 81.1 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 54% | 0.538 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71 | -28.3 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | L65 A66 F67 | L65-S69 WeakPolarHBondContact O-CB 3.43Å; L65-S69 PolarHBondContact O-N 2.84Å; L65-S69 PolarHBondContact O-OG 2.68Å; A66-S69 PolarHBondContact O-N 2.9Å; F67-S69 PolarHBondContact O-N 2.88Å |
| 70 | I | 78.7 | Confident | 80.6 | Confident | 130 Ų | 130 | 70.7 Ų | 70.7 | 67% | 0.667 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -89.1 | -41.6 | -179.9 | -63.1 | 165.7 | 0 | 0 | 0 | 111.3 | A66 F67 H68 | A66-I70 WeakPolarHBondContact O-CG1 3.24Å; A66-I70 PolarHBondContact O-N 3.39Å; A66-I70 VanDerWaalsContact O-N 3.14Å; F67-I70 PolarHBondContact O-N 3.19Å; F67-I70 VanDerWaalsContact O-N 3.14Å; H68-I70 VanDerWaalsContact C-N 3.32Å |
| 71 | M | 70.4 | Confident | 80.3 | Confident | 85 Ų | 85 | 76.1 Ų | 76.1 | 42% | 0.419 | 41% | 0.413 | S | S | . | . | trans | -115.4 | 62.9 | -170.8 | -65.9 | -64.8 | -177 | 0 | 0 | 111.4 | F67 N73 | F67-M71 HydrophobicContact CD1-CB 4.32Å; F67-M71 HydrophobicContact CD2-CG 4.43Å; F67-M71 HydrophobicContact CE1-CB 3.86Å; F67-M71 HydrophobicContact CE1-CG 4.27Å; F67-M71 HydrophobicContact CE2-CB 4.39Å; F67-M71 HydrophobicContact CE2-CG 3.91Å; F67-M71 HydrophobicContact CZ-CB 3.91Å; F67-M71 HydrophobicContact CZ-CG 3.82Å; F67-M71 PolarHBondContact O-N 3.41Å; M71-N73 PolarHBondContact O-N 3.43Å | ||
| 72 | L | 62.9 | Low | 80 | Confident | 112 Ų | 112 | 79.5 Ų | 79.5 | 59% | 0.586 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -33.8 | -172.3 | -144 | 80.9 | 0 | 0 | 0 | 113.5 | ||
| 73 | N | 56.9 | Low | 79.6 | Confident | 142 Ų | 142 | 78.8 Ų | 78.8 | 76% | 0.759 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | 0.4 | -169.6 | -73.6 | -10.3 | 0 | 0 | 0 | 116.8 | M71 | M71-N73 PolarHBondContact O-N 3.43Š|
| 74 | N | 58.4 | Low | 79.4 | Confident | 124 Ų | 124 | 76.9 Ų | 76.9 | 66% | 0.663 | 42% | 0.415 | S | S | * | . | trans | -125.2 | 65 | -170.8 | -113.6 | 0 | 0 | 0 | 0 | 113 | L76 | N74-L76 PolarHBondContact O-N 3.1Š| ||
| 75 | Y | 64.1 | Low | 79.3 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 29% | 0.286 | 44% | 0.437 | S | S | . | . | trans | -75.9 | -13 | 175.7 | -63.4 | -82.3 | 0 | 0 | 0 | 113.8 | F67 H68 | F67-Y75 HydrophobicContact CD1-CD1 4.36Å; F67-Y75 HydrophobicContact CD1-CE1 4.12Å; F67-Y75 AromaticContact CE1-CD1 3.92Å; F67-Y75 HydrophobicContact CE1-CD1 3.92Å; F67-Y75 HydrophobicContact CE1-CE1 4.08Å; H68-Y75 PolarHBondContact CE1-OH 3.44Å; H68-Y75 VanDerWaalsContact CE1-OH 3.3Å; H68-Y75 VanDerWaalsContact CG-OH 3.3Å; H68-Y75 AromaticContact ND1-CZ 3.93Å; H68-Y75 PolarHBondContact ND1-OH 3.45Å | ||
| 76 | L | 69.6 | Low | 79.2 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 39% | 0.393 | 45% | 0.446 | S | S | . | . | trans | -96.4 | 119.9 | -165.4 | -67.1 | 145.7 | 0 | 0 | 0 | 110.5 | N74 D83 Y156 R159 | N74-L76 PolarHBondContact O-N 3.1Å; L76-D83 HydrophobicContact CD2-CB 3.95Å; L76-D83 WeakPolarHBondContact CD2-OD2 3.26Å; L76-Y156 HydrophobicContact CD2-CE2 3.7Å; L76-Y156 WeakPolarHBondContact CD2-OH 3.44Å; L76-R159 VanDerWaalsContact CD1-O 3.22Å; L76-R159 WeakPolarHBondContact CD1-O 3.43Å; L76-R159 VanDerWaalsContact CD2-O 3.28Å; L76-R159 WeakPolarHBondContact CD2-O 3.44Å | ||
| 77 | T | 80.8 | Confident | 79.3 | Confident | 77 Ų | 77 | 81.1 Ų | 81.1 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | trans | -73.5 | -17.7 | 170.7 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | I79 I82 D83 I86 | T77-I79 VanDerWaalsContact C-N 3.26Å; T77-I79 PolarHBondContact OG1-N 3.37Å; T77-I82 HydrophobicContact CG2-CG2 3.91Å; T77-D83 WeakPolarHBondContact CB-OD1 3.41Å; T77-D83 PolarHBondContact N-OD1 3.47Å; T77-D83 PolarHBondContact OG1-OD1 2.95Å; T77-I86 HydrophobicContact CG2-CD1 4.26Å | ||
| 78 | G | 80.2 | Confident | 79.5 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 86.4 | -5.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D83 | G78-D83 PolarHBondContact N-OD2 3.42Å; G78-D83 VanDerWaalsContact N-OD2 3.08Å |
| 79 | I | 85.7 | Confident | 79.8 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | trans | -99.1 | 110.4 | 177.2 | -59.9 | 172.5 | 0 | 0 | 0 | 108.2 | T77 I81 I82 D83 | T77-I79 VanDerWaalsContact C-N 3.26Å; T77-I79 PolarHBondContact OG1-N 3.37Å; I79-I81 VanDerWaalsContact C-N 3.28Å; I79-I81 PolarHBondContact O-N 3.26Å; I79-I81 VanDerWaalsContact O-N 3.12Å; I79-I82 HydrophobicContact CB-CB 4.27Å; I79-I82 HydrophobicContact CB-CD1 4.1Å; I79-I82 HydrophobicContact CB-CG1 4.22Å; I79-I82 HydrophobicContact CD1-CD1 3.85Å; I79-I82 HydrophobicContact CG2-CB 4.37Å; I79-I82 HydrophobicContact CG2-CD1 4.05Å; I79-I82 HydrophobicContact CG2-CG1 3.94Å; I79-I82 PolarHBondContact O-N 3.01Å; I79-D83 PolarHBondContact O-N 3.28Å | ||
| 80 | Y | 87 | Confident | 80.3 | Confident | 154 Ų | 154 | 81.3 Ų | 81.3 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -49 | -44.2 | -174.3 | 179.6 | -92.8 | 0 | 0 | 0 | 114.1 | S84 Y156 | Y80-S84 WeakPolarHBondContact O-CB 3.27Å; Y80-S84 PolarHBondContact O-N 3.49Å; Y80-Y156 AromaticContact CD2-CD1 3.93Å; Y80-Y156 HydrophobicContact CD2-CD1 3.93Å; Y80-Y156 AromaticContact CD2-CE1 3.6Å; Y80-Y156 HydrophobicContact CD2-CE1 3.6Å; Y80-Y156 AromaticContact CE2-CD1 3.6Å; Y80-Y156 HydrophobicContact CE2-CD1 3.6Å; Y80-Y156 AromaticContact CE2-CE1 3.74Å; Y80-Y156 HydrophobicContact CE2-CE1 3.74Å; Y80-Y156 HydrophobicContact CG-CE1 4.47Å |
| 81 | I | 89.1 | Confident | 80.8 | Confident | 120 Ų | 120 | 77.8 Ų | 77.8 | 62% | 0.615 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | -178.5 | -61.1 | 173.5 | 0 | 0 | 0 | 110.8 | I79 S84 L85 | I79-I81 VanDerWaalsContact C-N 3.28Å; I79-I81 PolarHBondContact O-N 3.26Å; I79-I81 VanDerWaalsContact O-N 3.12Å; I81-S84 PolarHBondContact O-N 3.4Å; I81-L85 HydrophobicContact CG2-CD1 4.33Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 3Å |
| 82 | I | 89 | Confident | 81.6 | Confident | 72 Ų | 72 | 76.5 Ų | 76.5 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.1 | -45.7 | -179.2 | -61.6 | 179.4 | 0 | 0 | 0 | 109.7 | T77 I79 S84 L85 I86 | T77-I82 HydrophobicContact CG2-CG2 3.91Å; I79-I82 HydrophobicContact CB-CB 4.27Å; I79-I82 HydrophobicContact CB-CD1 4.1Å; I79-I82 HydrophobicContact CB-CG1 4.22Å; I79-I82 HydrophobicContact CD1-CD1 3.85Å; I79-I82 HydrophobicContact CG2-CB 4.37Å; I79-I82 HydrophobicContact CG2-CD1 4.05Å; I79-I82 HydrophobicContact CG2-CG1 3.94Å; I79-I82 PolarHBondContact O-N 3.01Å; I82-S84 VanDerWaalsContact C-N 3.27Å; I82-S84 PolarHBondContact O-N 3.28Å; I82-L85 PolarHBondContact O-N 3.29Å; I82-L85 VanDerWaalsContact O-N 3.13Å; I82-I86 HydrophobicContact CG2-CD1 3.74Å; I82-I86 HydrophobicContact CG2-CG1 4.28Å; I82-I86 VanDerWaalsContact O-CG1 3.3Å; I82-I86 WeakPolarHBondContact O-CG1 3.46Å; I82-I86 PolarHBondContact O-N 2.95Å |
| 83 | D | 88.1 | Confident | 82.8 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.032 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63 | -36.4 | 179.4 | -66.6 | -14 | 0 | 0 | 0 | 111.5 | L76 T77 G78 I79 C87 Y156 | L76-D83 HydrophobicContact CD2-CB 3.95Å; L76-D83 WeakPolarHBondContact CD2-OD2 3.26Å; T77-D83 WeakPolarHBondContact CB-OD1 3.41Å; T77-D83 PolarHBondContact N-OD1 3.47Å; T77-D83 PolarHBondContact OG1-OD1 2.95Å; G78-D83 PolarHBondContact N-OD2 3.42Å; G78-D83 VanDerWaalsContact N-OD2 3.08Å; I79-D83 PolarHBondContact O-N 3.28Å; D83-C87 VanDerWaalsContact O-CB 3.31Å; D83-C87 WeakPolarHBondContact O-CB 3.21Å; D83-C87 PolarHBondContact O-N 2.91Å; D83-Y156 HydrophobicContact CB-CE1 4.1Å; D83-Y156 HydrophobicContact CB-CE2 3.87Å; D83-Y156 WeakPolarHBondContact CB-OH 3.47Å; D83-Y156 PolarHBondContact OD2-OH 2.89Å |
| 84 | S | 87.4 | Confident | 84.5 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | 171.8 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | Y80 I81 I82 I86 C87 H88 | Y80-S84 WeakPolarHBondContact O-CB 3.27Å; Y80-S84 PolarHBondContact O-N 3.49Å; I81-S84 PolarHBondContact O-N 3.4Å; I82-S84 VanDerWaalsContact C-N 3.27Å; I82-S84 PolarHBondContact O-N 3.28Å; S84-I86 PolarHBondContact O-N 3.02Å; S84-C87 WeakPolarHBondContact O-CB 3.41Å; S84-C87 PolarHBondContact O-N 3.29Å; S84-C87 VanDerWaalsContact O-N 3.16Å; S84-H88 PolarHBondContact O-N 3Å; S84-H88 PolarHBondContact O-ND1 3.26Å |
| 85 | L | 90.1 | Very high | 86.2 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.7 | -72.5 | 172.5 | 0 | 0 | 0 | 112 | I81 I82 C87 H88 F89 | I81-L85 HydrophobicContact CG2-CD1 4.33Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 3Å; I82-L85 PolarHBondContact O-N 3.29Å; I82-L85 VanDerWaalsContact O-N 3.13Å; L85-C87 VanDerWaalsContact C-N 3.31Å; L85-C87 PolarHBondContact O-N 3.35Å; L85-H88 PolarHBondContact O-N 2.98Å; L85-F89 HydrophobicContact CD2-CD2 4.17Å; L85-F89 HydrophobicContact CD2-CE2 3.9Å; L85-F89 WeakPolarHBondContact O-CB 3.49Å; L85-F89 WeakPolarHBondContact O-CD2 3.45Å; L85-F89 PolarHBondContact O-N 3.24Å |
| 86 | I | 88.7 | Confident | 87.6 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 173.6 | -68.5 | 171.7 | 0 | 0 | 0 | 109.8 | T77 I82 S84 H88 W90 F91 | T77-I86 HydrophobicContact CG2-CD1 4.26Å; I82-I86 HydrophobicContact CG2-CD1 3.74Å; I82-I86 HydrophobicContact CG2-CG1 4.28Å; I82-I86 VanDerWaalsContact O-CG1 3.3Å; I82-I86 WeakPolarHBondContact O-CG1 3.46Å; I82-I86 PolarHBondContact O-N 2.95Å; S84-I86 PolarHBondContact O-N 3.02Å; I86-H88 PolarHBondContact O-N 2.92Å; I86-W90 HydrophobicContact CB-CB 4.48Å; I86-W90 HydrophobicContact CG2-CB 3.87Å; I86-W90 HydrophobicContact CG2-CG 4.32Å; I86-W90 VanDerWaalsContact O-CA 3.29Å; I86-W90 WeakPolarHBondContact O-CA 3.48Å; I86-W90 WeakPolarHBondContact O-CB 3.4Å; I86-W90 PolarHBondContact O-N 2.82Å; I86-F91 PolarHBondContact O-N 3.37Å; I86-F91 VanDerWaalsContact O-N 3.08Å |
| 87 | C | 89.2 | Confident | 88.8 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.9 | -46 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 112.2 | D83 S84 L85 F91 R154 Y156 C161 | D83-C87 VanDerWaalsContact O-CB 3.31Å; D83-C87 WeakPolarHBondContact O-CB 3.21Å; D83-C87 PolarHBondContact O-N 2.91Å; S84-C87 WeakPolarHBondContact O-CB 3.41Å; S84-C87 PolarHBondContact O-N 3.29Å; S84-C87 VanDerWaalsContact O-N 3.16Å; L85-C87 VanDerWaalsContact C-N 3.31Å; L85-C87 PolarHBondContact O-N 3.35Å; C87-F91 WeakPolarHBondContact O-CB 3.4Å; C87-R154 WeakPolarHBondContact O-CD 3.43Å; C87-Y156 HydrophobicContact CB-CD2 4.07Å; C87-Y156 HydrophobicContact CB-CG 4.44Å; C87-C161 WeakPolarHBondContact CA-SG 3.36Å; C87-C161 HydrophobicContact CB-CB 3.63Å; C87-C161 WeakPolarHBondContact CB-SG 3.26Å; C87-C161 PolarHBondContact O-SG 3.37Å; C87-C161 VanDerWaalsContact O-SG 3.42Å; C87-C161 WeakPolarHBondContact SG-CA 3.48Å; C87-C161 WeakPolarHBondContact SG-CB 3.33Å; C87-C161 CovalentContact SG-SG 2.03Å; C87-C161 PolarHBondContact SG-SG 3.38Å |
| 88 | H | 90.3 | Very high | 89.6 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 22% | 0.222 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.5 | -40.3 | -176.1 | -67.8 | 85 | 0 | 0 | 0 | 113.2 | S84 L85 I86 P151 R154 | S84-H88 PolarHBondContact O-N 3Å; S84-H88 PolarHBondContact O-ND1 3.26Å; L85-H88 PolarHBondContact O-N 2.98Å; I86-H88 PolarHBondContact O-N 2.92Å; H88-P151 HydrophobicContact CB-CB 4.23Å; H88-P151 PolarHBondContact CD2-O 2.6Å; H88-R154 PolarHBondContact NE2-O 3.09Å; H88-R154 PolarHBondContact O-NH1 2.91Å |
| 89 | F | 91 | Very high | 90.4 | Very high | 93 Ų | 93 | 52.9 Ų | 52.9 | 41% | 0.408 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -101.1 | -20.3 | -171.6 | -67.4 | -76.3 | 0 | 0 | 0 | 114.5 | L85 S94 L95 Y147 | L85-F89 HydrophobicContact CD2-CD2 4.17Å; L85-F89 HydrophobicContact CD2-CE2 3.9Å; L85-F89 WeakPolarHBondContact O-CB 3.49Å; L85-F89 WeakPolarHBondContact O-CD2 3.45Å; L85-F89 PolarHBondContact O-N 3.24Å; F89-S94 WeakPolarHBondContact O-CB 3.14Å; F89-L95 WeakPolarHBondContact O-CB 3.49Å; F89-L95 PolarHBondContact O-N 2.84Å; F89-L95 VanDerWaalsContact O-N 3.08Å; F89-Y147 WeakPolarHBondContact CD1-OH 3.44Å; F89-Y147 HydrophobicContact CE1-CE1 4.42Å |
| 90 | W | 89.4 | Confident | 90.9 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 21% | 0.212 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -34.5 | -173.5 | -165.2 | -103.2 | 0 | 0 | 0 | 113.7 | V63 Y64 I86 R92 N93 L95 | V63-W90 HydrophobicContact CB-CH2 3.88Å; V63-W90 HydrophobicContact CB-CZ2 4.34Å; V63-W90 HydrophobicContact CG1-CH2 3.53Å; V63-W90 HydrophobicContact CG1-CZ2 3.79Å; Y64-W90 AromaticContact CD2-NE1 3.67Å; Y64-W90 WeakPolarHBondContact CE2-O 3.34Å; I86-W90 HydrophobicContact CB-CB 4.48Å; I86-W90 HydrophobicContact CG2-CB 3.87Å; I86-W90 HydrophobicContact CG2-CG 4.32Å; I86-W90 VanDerWaalsContact O-CA 3.29Å; I86-W90 WeakPolarHBondContact O-CA 3.48Å; I86-W90 WeakPolarHBondContact O-CB 3.4Å; I86-W90 PolarHBondContact O-N 2.82Å; W90-R92 PolarHBondContact O-N 3.36Å; W90-N93 PolarHBondContact O-N 2.84Å; W90-N93 VanDerWaalsContact O-N 3.13Å; W90-L95 HydrophobicContact CE3-CD2 4.48Å; W90-L95 HydrophobicContact CZ3-CD2 4.22Å |
| 91 | F | 88.1 | Confident | 91.4 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -55 | 135.4 | -178.3 | -174.1 | -114.5 | 0 | 0 | 0 | 111.4 | I86 C87 N93 S94 R154 C161 M163 | I86-F91 PolarHBondContact O-N 3.37Å; I86-F91 VanDerWaalsContact O-N 3.08Å; C87-F91 WeakPolarHBondContact O-CB 3.4Å; F91-N93 PolarHBondContact O-N 3.49Å; F91-S94 PolarHBondContact O-N 2.84Å; F91-R154 HydrophobicContact CD1-CG 4.35Å; F91-R154 PolarHBondContact O-NE 3.42Å; F91-R154 PolarHBondContact O-NH2 3.41Å; F91-C161 HydrophobicContact CB-CB 4.47Å; F91-C161 VanDerWaalsContact CB-SG 3.52Å; F91-C161 HydrophobicContact CD1-CB 4.48Å; F91-C161 VanDerWaalsContact CD1-SG 3.58Å; F91-C161 HydrophobicContact CD2-CB 3.87Å; F91-C161 HydrophobicContact CE2-CB 4.14Å; F91-C161 HydrophobicContact CG-CB 4.05Å; F91-C161 WeakPolarHBondContact CG-SG 3.31Å; F91-C161 WeakPolarHBondContact CZ-O 3.22Å; F91-M163 HydrophobicContact CD1-SD 4.34Å; F91-M163 HydrophobicContact CE1-CG 4.29Å; F91-M163 HydrophobicContact CE1-SD 3.93Å |
| 92 | R | 86.8 | Confident | 91.8 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 22% | 0.223 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | 49.4 | 42.7 | -177.4 | -61.5 | -174.9 | 170.4 | -167.7 | -0.5 | 113.5 | W90 S94 Y268 | W90-R92 PolarHBondContact O-N 3.36Å; R92-S94 VanDerWaalsContact C-N 3.3Å; R92-S94 PolarHBondContact O-N 3.18Å; R92-Y268 WeakPolarHBondContact CA-OH 3.42Å; R92-Y268 HydrophobicContact CB-CD2 4.25Å; R92-Y268 HydrophobicContact CB-CE2 3.5Å; R92-Y268 VanDerWaalsContact CD-CD2 3.43Å; R92-Y268 HydrophobicContact CG-CD1 4.34Å; R92-Y268 HydrophobicContact CG-CD2 3.89Å; R92-Y268 HydrophobicContact CG-CE1 3.91Å; R92-Y268 HydrophobicContact CG-CE2 3.43Å; R92-Y268 VanDerWaalsContact CG-CE2 3.43Å; R92-Y268 HydrophobicContact CG-CG 4.34Å; R92-Y268 VanDerWaalsContact CG-CZ 3.44Å; R92-Y268 VanDerWaalsContact NH1-CB 3.33Å |
| 93 | N | 89.5 | Confident | 92.2 | Very high | 14 Ų | 14 | 33 Ų | 33 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | 55.3 | 38.8 | 177.8 | -159.1 | 23 | 0 | 0 | 0 | 113.8 | T61 Y64 W90 F91 L95 F96 | T61-N93 PolarHBondContact OG1-ND2 2.84Å; Y64-N93 HydrophobicContact CD1-CB 3.58Å; Y64-N93 HydrophobicContact CD2-CB 4.3Å; Y64-N93 HydrophobicContact CE1-CB 3.82Å; Y64-N93 HydrophobicContact CG-CB 3.86Å; W90-N93 PolarHBondContact O-N 2.84Å; W90-N93 VanDerWaalsContact O-N 3.13Å; F91-N93 PolarHBondContact O-N 3.49Å; N93-L95 VanDerWaalsContact C-N 3.25Å; N93-L95 PolarHBondContact O-N 3.25Å; N93-F96 VanDerWaalsContact CG-CB 3.49Å; N93-F96 VanDerWaalsContact ND2-CB 3.28Å; N93-F96 WeakPolarHBondContact ND2-CB 3.47Å; N93-F96 WeakPolarHBondContact O-CB 3.29Å; N93-F96 PolarHBondContact O-N 2.86Å; N93-F96 WeakPolarHBondContact OD1-CB 3.48Å |
| 94 | S | 91.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -37.3 | -175.1 | -162.3 | 0 | 0 | 0 | 0 | 114.2 | F89 F91 R92 F96 W97 Y147 R154 | F89-S94 WeakPolarHBondContact O-CB 3.14Å; F91-S94 PolarHBondContact O-N 2.84Å; R92-S94 VanDerWaalsContact C-N 3.3Å; R92-S94 PolarHBondContact O-N 3.18Å; S94-F96 PolarHBondContact O-N 3.14Å; S94-W97 WeakPolarHBondContact O-CB 3.16Å; S94-W97 PolarHBondContact O-N 3.05Å; S94-W97 VanDerWaalsContact O-N 3.1Å; S94-Y147 WeakPolarHBondContact O-CE2 3.43Å; S94-R154 PolarHBondContact OG-NH1 3.48Å; S94-R154 PolarHBondContact OG-NH2 3.1Å; S94-R154 VanDerWaalsContact OG-NH2 3.16Å |
| 95 | L | 93.9 | Very high | 93.1 | Very high | 45 Ų | 45 | 31.7 Ų | 31.7 | 24% | 0.236 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.8 | -30.1 | -174.8 | -168.4 | 62.7 | 0 | 0 | 0 | 112 | F89 W90 N93 W97 L98 F99 | F89-L95 WeakPolarHBondContact O-CB 3.49Å; F89-L95 PolarHBondContact O-N 2.84Å; F89-L95 VanDerWaalsContact O-N 3.08Å; W90-L95 HydrophobicContact CE3-CD2 4.48Å; W90-L95 HydrophobicContact CZ3-CD2 4.22Å; N93-L95 VanDerWaalsContact C-N 3.25Å; N93-L95 PolarHBondContact O-N 3.25Å; L95-W97 VanDerWaalsContact C-N 3.27Å; L95-W97 PolarHBondContact O-N 3.08Å; L95-L98 HydrophobicContact CD1-CD2 4.07Å; L95-L98 WeakPolarHBondContact O-CB 3.34Å; L95-L98 PolarHBondContact O-N 2.96Å; L95-F99 HydrophobicContact CD1-CE2 4.12Å; L95-F99 HydrophobicContact CD2-CE2 4.19Å; L95-F99 HydrophobicContact CG-CD2 4.17Å; L95-F99 HydrophobicContact CG-CE2 3.8Å; L95-F99 WeakPolarHBondContact O-CD2 3.35Å; L95-F99 PolarHBondContact O-N 3.43Å |
| 96 | F | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.5 | -44.2 | 172.4 | 162.2 | -103.1 | 0 | 0 | 0 | 111.7 | A57 S60 T61 N93 S94 L98 F99 C100 T277 I280 L281 | A57-F96 HydrophobicContact CB-CD2 3.94Å; A57-F96 HydrophobicContact CB-CE2 4.12Å; S60-F96 VanDerWaalsContact OG-CA 3.31Å; S60-F96 WeakPolarHBondContact OG-CA 3.36Å; S60-F96 PolarHBondContact OG-N 2.98Å; T61-F96 WeakPolarHBondContact OG1-CD2 3.28Å; T61-F96 WeakPolarHBondContact OG1-CG 3.23Å; N93-F96 VanDerWaalsContact CG-CB 3.49Å; N93-F96 VanDerWaalsContact ND2-CB 3.28Å; N93-F96 WeakPolarHBondContact ND2-CB 3.47Å; N93-F96 WeakPolarHBondContact O-CB 3.29Å; N93-F96 PolarHBondContact O-N 2.86Å; N93-F96 WeakPolarHBondContact OD1-CB 3.48Å; S94-F96 PolarHBondContact O-N 3.14Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 PolarHBondContact O-N 3.27Å; F96-F99 PolarHBondContact O-N 3.34Å; F96-C100 VanDerWaalsContact O-CB 3.28Å; F96-C100 WeakPolarHBondContact O-CB 3.38Å; F96-C100 PolarHBondContact O-N 2.66Å; F96-T277 HydrophobicContact CE1-CG2 4.12Å; F96-T277 HydrophobicContact CZ-CG2 4.12Å; F96-I280 HydrophobicContact CE2-CG2 4.28Å; F96-I280 HydrophobicContact CZ-CB 4.11Å; F96-I280 HydrophobicContact CZ-CG2 3.62Å; F96-L281 HydrophobicContact CE2-CD1 4.46Å |
| 97 | W | 94.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 12% | 0.117 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.1 | -32.3 | -178.7 | -64.4 | 111.2 | 0 | 0 | 0 | 113.1 | S94 L95 C100 V101 W183 E252 I280 | S94-W97 WeakPolarHBondContact O-CB 3.16Å; S94-W97 PolarHBondContact O-N 3.05Å; S94-W97 VanDerWaalsContact O-N 3.1Å; L95-W97 VanDerWaalsContact C-N 3.27Å; L95-W97 PolarHBondContact O-N 3.08Å; W97-C100 HydrophobicContact CE3-CB 4.45Å; W97-C100 PolarHBondContact O-N 3.37Å; W97-V101 WeakPolarHBondContact O-CB 3.03Å; W97-V101 VanDerWaalsContact O-CG2 3.28Å; W97-V101 WeakPolarHBondContact O-CG2 3.14Å; W97-V101 PolarHBondContact O-N 3.4Å; W97-W183 HydrophobicContact CD2-CH2 4.42Å; W97-W183 AromaticContact CE3-CH2 3.42Å; W97-W183 HydrophobicContact CE3-CH2 3.42Å; W97-W183 VanDerWaalsContact CE3-CH2 3.42Å; W97-W183 AromaticContact CE3-CZ2 3.61Å; W97-W183 HydrophobicContact CE3-CZ2 3.61Å; W97-W183 HydrophobicContact CE3-CZ3 4.31Å; W97-W183 AromaticContact CZ3-CH2 3.84Å; W97-W183 HydrophobicContact CZ3-CH2 3.84Å; W97-W183 AromaticContact CZ3-CZ2 3.48Å; W97-W183 HydrophobicContact CZ3-CZ2 3.48Å; W97-W183 VanDerWaalsContact CZ3-CZ2 3.48Å; W97-E252 HydrophobicContact CH2-CG 4.37Å; W97-I280 HydrophobicContact CH2-CD1 4.19Å; W97-I280 HydrophobicContact CZ3-CD1 3.87Å |
| 98 | L | 96.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 17% | 0.173 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -52.9 | 172.3 | 174.3 | 58.2 | 0 | 0 | 0 | 110.6 | L95 F96 C100 V101 L102 V143 Y147 | L95-L98 HydrophobicContact CD1-CD2 4.07Å; L95-L98 WeakPolarHBondContact O-CB 3.34Å; L95-L98 PolarHBondContact O-N 2.96Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 PolarHBondContact O-N 3.27Å; L98-C100 VanDerWaalsContact C-N 3.34Å; L98-V101 PolarHBondContact O-N 2.94Å; L98-L102 HydrophobicContact CD1-CD1 4.05Å; L98-L102 HydrophobicContact CD1-CG 4.24Å; L98-L102 HydrophobicContact CG-CD1 4.08Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.32Å; L98-L102 PolarHBondContact O-N 2.88Å; L98-V143 HydrophobicContact CD1-CG1 4.08Å; L98-V143 HydrophobicContact CD1-CG2 4.18Å; L98-Y147 HydrophobicContact CB-CD1 4.22Å; L98-Y147 HydrophobicContact CB-CD2 3.69Å; L98-Y147 HydrophobicContact CB-CE1 4.05Å; L98-Y147 HydrophobicContact CB-CE2 3.52Å; L98-Y147 HydrophobicContact CB-CG 4.03Å; L98-Y147 HydrophobicContact CD1-CD1 3.67Å; L98-Y147 HydrophobicContact CD1-CD2 4.39Å; L98-Y147 HydrophobicContact CD1-CE1 4.04Å; L98-Y147 HydrophobicContact CD1-CG 3.84Å; L98-Y147 HydrophobicContact CD2-CE1 4.16Å; L98-Y147 HydrophobicContact CG-CD1 4.37Å; L98-Y147 HydrophobicContact CG-CE1 4.3Å; L98-Y147 HydrophobicContact CG-CG 4.5Å |
| 99 | F | 97.9 | Very high | 94.5 | Very high | 51 Ų | 51 | 22.7 Ų | 22.7 | 22% | 0.224 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.7 | -33.3 | -177.6 | -71.8 | -64.4 | 0 | 0 | 0 | 112.7 | G56 A57 L95 F96 L102 S103 | G56-F99 VanDerWaalsContact C-CG 3.44Å; G56-F99 WeakPolarHBondContact O-CD2 3.38Å; A57-F99 HydrophobicContact CB-CB 3.83Å; A57-F99 VanDerWaalsContact N-CB 3.27Å; L95-F99 HydrophobicContact CD1-CE2 4.12Å; L95-F99 HydrophobicContact CD2-CE2 4.19Å; L95-F99 HydrophobicContact CG-CD2 4.17Å; L95-F99 HydrophobicContact CG-CE2 3.8Å; L95-F99 WeakPolarHBondContact O-CD2 3.35Å; L95-F99 PolarHBondContact O-N 3.43Å; F96-F99 PolarHBondContact O-N 3.34Å; F99-L102 HydrophobicContact CD1-CD1 4.25Å; F99-L102 PolarHBondContact O-N 3.4Å; F99-S103 VanDerWaalsContact O-CB 3.31Å; F99-S103 WeakPolarHBondContact O-CB 3.33Å; F99-S103 PolarHBondContact O-N 3.48Å |
| 100 | C | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59 | -51 | 170.8 | 177 | 0 | 0 | 0 | 0 | 111.2 | F96 W97 L98 L102 S103 V104 H249 | F96-C100 VanDerWaalsContact O-CB 3.28Å; F96-C100 WeakPolarHBondContact O-CB 3.38Å; F96-C100 PolarHBondContact O-N 2.66Å; W97-C100 HydrophobicContact CE3-CB 4.45Å; W97-C100 PolarHBondContact O-N 3.37Å; L98-C100 VanDerWaalsContact C-N 3.34Å; C100-L102 PolarHBondContact O-N 2.91Å; C100-S103 PolarHBondContact O-N 3.47Å; C100-V104 VanDerWaalsContact O-CG2 3.24Å; C100-V104 WeakPolarHBondContact O-CG2 3.33Å; C100-V104 PolarHBondContact O-N 2.72Å; C100-H249 VanDerWaalsContact SG-CE1 3.59Å |
| 101 | V | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.3 | -51 | 174.7 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | W97 L98 S103 V104 Q105 L146 W183 | W97-V101 WeakPolarHBondContact O-CB 3.03Å; W97-V101 VanDerWaalsContact O-CG2 3.28Å; W97-V101 WeakPolarHBondContact O-CG2 3.14Å; W97-V101 PolarHBondContact O-N 3.4Å; L98-V101 PolarHBondContact O-N 2.94Å; V101-S103 VanDerWaalsContact C-N 3.28Å; V101-S103 PolarHBondContact O-N 2.85Å; V101-V104 PolarHBondContact O-N 3.47Å; V101-Q105 HydrophobicContact CG1-CG 4.1Å; V101-Q105 WeakPolarHBondContact O-CB 3.33Å; V101-Q105 WeakPolarHBondContact O-CG 3.44Å; V101-Q105 PolarHBondContact O-N 2.91Å; V101-L146 HydrophobicContact CG1-CB 4.14Å; V101-L146 HydrophobicContact CG1-CD1 3.94Å; V101-L146 HydrophobicContact CG2-CB 3.85Å; V101-L146 HydrophobicContact CG2-CD1 4.23Å; V101-W183 HydrophobicContact CG2-CH2 3.76Å; V101-W183 HydrophobicContact CG2-CZ3 3.48Å; V101-W183 VanDerWaalsContact CG2-CZ3 3.48Å |
| 102 | L | 98.1 | Very high | 95.2 | Very high | 23 Ų | 23 | 16.9 Ų | 16.9 | 12% | 0.12 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.8 | -41.4 | 179.5 | -68.8 | 173.3 | 0 | 0 | 0 | 111.9 | F53 L98 F99 C100 N106 M139 V143 | F53-L102 HydrophobicContact CB-CB 4.22Å; F53-L102 HydrophobicContact CD1-CB 3.82Å; F53-L102 HydrophobicContact CD1-CD1 3.99Å; F53-L102 HydrophobicContact CD1-CG 4.5Å; F53-L102 VanDerWaalsContact CD2-C 3.49Å; F53-L102 HydrophobicContact CD2-CB 3.71Å; F53-L102 VanDerWaalsContact CD2-O 3.29Å; F53-L102 WeakPolarHBondContact CD2-O 3.46Å; F53-L102 HydrophobicContact CE1-CB 4Å; F53-L102 HydrophobicContact CE1-CD1 3.83Å; F53-L102 HydrophobicContact CE1-CG 4.34Å; F53-L102 HydrophobicContact CE2-CB 3.86Å; F53-L102 HydrophobicContact CG-CB 3.67Å; F53-L102 HydrophobicContact CZ-CB 4.01Å; F53-L102 HydrophobicContact CZ-CD1 4.36Å; F53-L102 HydrophobicContact CZ-CD2 4.24Å; F53-L102 HydrophobicContact CZ-CG 4.44Å; L98-L102 HydrophobicContact CD1-CD1 4.05Å; L98-L102 HydrophobicContact CD1-CG 4.24Å; L98-L102 HydrophobicContact CG-CD1 4.08Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.32Å; L98-L102 PolarHBondContact O-N 2.88Å; F99-L102 HydrophobicContact CD1-CD1 4.25Å; F99-L102 PolarHBondContact O-N 3.4Å; C100-L102 PolarHBondContact O-N 2.91Å; L102-N106 WeakPolarHBondContact O-CB 3.24Å; L102-N106 PolarHBondContact O-N 3.4Å; L102-M139 HydrophobicContact CB-CE 4.23Å; L102-M139 HydrophobicContact CD2-CE 3.53Å; L102-M139 WeakPolarHBondContact O-CE 3.48Å; L102-V143 HydrophobicContact CD2-CG2 3.59Å; L102-V143 HydrophobicContact CG-CG2 4.35Å |
| 103 | S | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64 | -51.8 | 177.5 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | Q50 D54 F99 C100 V101 Q105 N106 L107 | Q50-S103 PolarHBondContact NE2-OG 3.08Å; D54-S103 WeakPolarHBondContact OD1-CB 3.4Å; D54-S103 PolarHBondContact OD1-OG 3Å; F99-S103 VanDerWaalsContact O-CB 3.31Å; F99-S103 WeakPolarHBondContact O-CB 3.33Å; F99-S103 PolarHBondContact O-N 3.48Å; C100-S103 PolarHBondContact O-N 3.47Å; V101-S103 VanDerWaalsContact C-N 3.28Å; V101-S103 PolarHBondContact O-N 2.85Å; S103-Q105 VanDerWaalsContact C-N 3.32Å; S103-Q105 PolarHBondContact O-N 3.48Å; S103-N106 PolarHBondContact O-N 3.22Å; S103-L107 PolarHBondContact O-N 3.3Å; S103-L107 VanDerWaalsContact O-N 3.1Å |
| 104 | V | 96.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -55.7 | -49.4 | 178.2 | 175 | 0 | 0 | 0 | 0 | 110.4 | C100 V101 N106 L107 V108 P191 H249 | C100-V104 VanDerWaalsContact O-CG2 3.24Å; C100-V104 WeakPolarHBondContact O-CG2 3.33Å; C100-V104 PolarHBondContact O-N 2.72Å; V101-V104 PolarHBondContact O-N 3.47Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 3.01Å; V104-L107 WeakPolarHBondContact O-CB 3.23Å; V104-L107 PolarHBondContact O-N 3.49Å; V104-L107 VanDerWaalsContact O-N 3.14Å; V104-V108 PolarHBondContact O-N 2.92Å; V104-P191 HydrophobicContact CG1-CB 4.19Å; V104-P191 HydrophobicContact CG1-CG 4.12Å; V104-H249 VanDerWaalsContact CG2-CE1 3.43Å; V104-H249 WeakPolarHBondContact CG2-CE1 3.49Å |
| 105 | Q | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.5 | -30.3 | -173.8 | -60.2 | -55.9 | -19.7 | 0 | 0 | 112.3 | V101 S103 L107 V108 C109 Y138 M139 M142 F186 | V101-Q105 HydrophobicContact CG1-CG 4.1Å; V101-Q105 WeakPolarHBondContact O-CB 3.33Å; V101-Q105 WeakPolarHBondContact O-CG 3.44Å; V101-Q105 PolarHBondContact O-N 2.91Å; S103-Q105 VanDerWaalsContact C-N 3.32Å; S103-Q105 PolarHBondContact O-N 3.48Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; Q105-L107 PolarHBondContact O-N 3.31Å; Q105-V108 WeakPolarHBondContact O-CB 3.41Å; Q105-V108 PolarHBondContact O-N 3.28Å; Q105-C109 PolarHBondContact O-N 3.27Å; Q105-C109 VanDerWaalsContact O-N 3.09Å; Q105-C109 PolarHBondContact O-SG 3.38Å; Q105-Y138 HydrophobicContact CB-CE1 3.98Å; Q105-Y138 PolarHBondContact OE1-OH 3.48Å; Q105-M139 HydrophobicContact CB-CE 4.14Å; Q105-M139 HydrophobicContact CB-SD 3.72Å; Q105-M142 HydrophobicContact CB-CB 4.5Å; Q105-M142 HydrophobicContact CG-CB 3.78Å; Q105-M142 HydrophobicContact CG-CG 3.89Å; Q105-F186 PolarHBondContact NE2-O 3.46Å |
| 106 | N | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.5 | -33.6 | 171.4 | -166.6 | 72.8 | 0 | 0 | 0 | 111.9 | I46 Q50 F53 L102 S103 V104 C109 L110 Y135 M139 | I46-N106 WeakPolarHBondContact CG2-ND2 3.29Å; I46-N106 WeakPolarHBondContact CG2-OD1 3.27Å; I46-N106 PolarHBondContact O-ND2 3.35Å; I46-N106 VanDerWaalsContact O-ND2 3.14Å; Q50-N106 WeakPolarHBondContact CB-ND2 3.3Å; Q50-N106 PolarHBondContact OE1-ND2 3.4Å; F53-N106 HydrophobicContact CD2-CB 3.79Å; F53-N106 HydrophobicContact CE2-CB 3.84Å; L102-N106 WeakPolarHBondContact O-CB 3.24Å; L102-N106 PolarHBondContact O-N 3.4Å; S103-N106 PolarHBondContact O-N 3.22Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 3.01Å; N106-C109 WeakPolarHBondContact O-CB 3.38Å; N106-C109 PolarHBondContact O-N 2.88Å; N106-L110 PolarHBondContact O-N 3.22Å; N106-Y135 WeakPolarHBondContact OD1-CE2 3.47Å; N106-Y135 PolarHBondContact OD1-OH 3.45Å; N106-M139 HydrophobicContact CB-CE 4.47Å |
| 107 | L | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.1 | -35.3 | 175 | -169.4 | 61.2 | 0 | 0 | 0 | 112.9 | S103 V104 Q105 C109 L110 S111 M195 M241 Q245 | S103-L107 PolarHBondContact O-N 3.3Å; S103-L107 VanDerWaalsContact O-N 3.1Å; V104-L107 WeakPolarHBondContact O-CB 3.23Å; V104-L107 PolarHBondContact O-N 3.49Å; V104-L107 VanDerWaalsContact O-N 3.14Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; Q105-L107 PolarHBondContact O-N 3.31Å; L107-C109 VanDerWaalsContact C-N 3.33Å; L107-L110 HydrophobicContact CD1-CD1 4.01Å; L107-L110 WeakPolarHBondContact O-CB 3.23Å; L107-L110 PolarHBondContact O-N 3.45Å; L107-S111 PolarHBondContact O-N 3.38Å; L107-S111 PolarHBondContact O-OG 2.93Å; L107-M195 HydrophobicContact CD2-SD 3.98Å; L107-M195 HydrophobicContact CG-SD 3.92Å; L107-M241 HydrophobicContact CD1-CB 3.79Å; L107-M241 HydrophobicContact CD1-CE 4.2Å; L107-M241 HydrophobicContact CD2-CB 4.35Å; L107-Q245 HydrophobicContact CD2-CB 3.75Å; L107-Q245 HydrophobicContact CD2-CG 4.05Å |
| 108 | V | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 168.6 | 179.4 | 0 | 0 | 0 | 0 | 110 | V104 Q105 L110 S111 L112 P191 I194 | V104-V108 PolarHBondContact O-N 2.92Å; Q105-V108 WeakPolarHBondContact O-CB 3.41Å; Q105-V108 PolarHBondContact O-N 3.28Å; V108-L110 PolarHBondContact O-N 3.35Å; V108-S111 WeakPolarHBondContact O-CB 3.34Å; V108-S111 PolarHBondContact O-N 3.47Å; V108-L112 HydrophobicContact CG1-CD1 4.39Å; V108-L112 PolarHBondContact O-N 3.04Å; V108-P191 HydrophobicContact CG2-CB 3.56Å; V108-P191 HydrophobicContact CG2-CG 4.02Å; V108-I194 HydrophobicContact CG1-CB 4.16Å; V108-I194 HydrophobicContact CG1-CD1 3.93Å; V108-I194 HydrophobicContact CG1-CG2 3.73Å |
| 109 | C | 96.6 | Very high | 93 | Very high | 11 Ų | 11 | 15.9 Ų | 15.9 | 7% | 0.074 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | I46 Q105 N106 L107 S111 L112 D113 Y135 Y138 | I46-C109 HydrophobicContact CD1-CB 4.44Å; Q105-C109 PolarHBondContact O-N 3.27Å; Q105-C109 VanDerWaalsContact O-N 3.09Å; Q105-C109 PolarHBondContact O-SG 3.38Å; N106-C109 WeakPolarHBondContact O-CB 3.38Å; N106-C109 PolarHBondContact O-N 2.88Å; L107-C109 VanDerWaalsContact C-N 3.33Å; C109-S111 VanDerWaalsContact C-N 3.31Å; C109-S111 PolarHBondContact O-N 2.92Å; C109-L112 PolarHBondContact O-N 2.85Å; C109-D113 VanDerWaalsContact O-CB 3.28Å; C109-D113 WeakPolarHBondContact O-CB 3.48Å; C109-D113 PolarHBondContact O-N 2.94Å; C109-Y135 HydrophobicContact CB-CD2 3.86Å; C109-Y135 HydrophobicContact CB-CE2 3.96Å; C109-Y138 VanDerWaalsContact SG-CD1 3.58Å |
| 110 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 173.4 | -79.2 | 173.2 | 0 | 0 | 0 | 110.9 | I46 F47 N106 L107 V108 L112 D113 R114 T238 | I46-L110 HydrophobicContact CB-CD2 3.76Å; I46-L110 HydrophobicContact CB-CG 4.38Å; I46-L110 HydrophobicContact CG2-CB 4.4Å; I46-L110 HydrophobicContact CG2-CD1 4.37Å; I46-L110 HydrophobicContact CG2-CD2 3.31Å; I46-L110 HydrophobicContact CG2-CG 3.38Å; F47-L110 HydrophobicContact CD1-CD1 4.46Å; F47-L110 HydrophobicContact CD1-CD2 3.98Å; F47-L110 HydrophobicContact CD2-CD2 3.85Å; F47-L110 HydrophobicContact CE1-CD1 4.37Å; F47-L110 HydrophobicContact CE1-CD2 3.97Å; F47-L110 HydrophobicContact CE2-CD2 3.83Å; F47-L110 HydrophobicContact CG-CD2 3.92Å; F47-L110 HydrophobicContact CZ-CD2 3.88Å; N106-L110 PolarHBondContact O-N 3.22Å; L107-L110 HydrophobicContact CD1-CD1 4.01Å; L107-L110 WeakPolarHBondContact O-CB 3.23Å; L107-L110 PolarHBondContact O-N 3.45Å; V108-L110 PolarHBondContact O-N 3.35Å; L110-L112 PolarHBondContact O-N 2.91Å; L110-D113 PolarHBondContact O-N 3.03Å; L110-R114 WeakPolarHBondContact O-CG 3.42Å; L110-R114 PolarHBondContact O-N 3.35Å; L110-T238 HydrophobicContact CB-CG2 4.14Å |
| 111 | S | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | -178.3 | -60.6 | 0 | 0 | 0 | 0 | 112 | L107 V108 C109 R114 V115 S198 H199 S242 | L107-S111 PolarHBondContact O-N 3.38Å; L107-S111 PolarHBondContact O-OG 2.93Å; V108-S111 WeakPolarHBondContact O-CB 3.34Å; V108-S111 PolarHBondContact O-N 3.47Å; C109-S111 VanDerWaalsContact C-N 3.31Å; C109-S111 PolarHBondContact O-N 2.92Å; S111-R114 WeakPolarHBondContact O-CB 3.42Å; S111-R114 PolarHBondContact O-N 3.16Å; S111-V115 PolarHBondContact O-N 2.79Å; S111-S198 WeakPolarHBondContact CB-OG 3.09Å; S111-H199 PolarHBondContact OG-CE1 2.98Å; S111-S242 PolarHBondContact OG-OG 3.36Å |
| 112 | L | 93.5 | Very high | 89 | Confident | 81 Ų | 81 | 26.6 Ų | 26.6 | 42% | 0.424 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 174.5 | -69.1 | 176.7 | 0 | 0 | 0 | 113 | V108 C109 L110 R114 V115 S116 I194 | V108-L112 HydrophobicContact CG1-CD1 4.39Å; V108-L112 PolarHBondContact O-N 3.04Å; C109-L112 PolarHBondContact O-N 2.85Å; L110-L112 PolarHBondContact O-N 2.91Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 2.77Å; L112-V115 PolarHBondContact O-N 3.32Å; L112-S116 WeakPolarHBondContact O-CB 3.39Å; L112-S116 PolarHBondContact O-N 3.42Å; L112-S116 PolarHBondContact O-OG 2.88Å; L112-I194 HydrophobicContact CD1-CG2 4.27Å; L112-I194 HydrophobicContact CD2-CG2 3.71Å; L112-I194 HydrophobicContact CG-CG2 3.89Å |
| 113 | D | 91.3 | Very high | 87.2 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.8 | -34.6 | 174.3 | 175 | 60 | 0 | 0 | 0 | 111.1 | F42 S43 I46 C109 L110 S116 A117 | F42-D113 HydrophobicContact CD1-CB 4.37Å; F42-D113 WeakPolarHBondContact CD1-OD1 3.35Å; F42-D113 HydrophobicContact CE1-CB 4.09Å; S43-D113 WeakPolarHBondContact CA-OD2 3.28Å; S43-D113 VanDerWaalsContact CB-OD2 3.27Å; S43-D113 WeakPolarHBondContact CB-OD2 3.24Å; I46-D113 HydrophobicContact CD1-CB 4Å; C109-D113 VanDerWaalsContact O-CB 3.28Å; C109-D113 WeakPolarHBondContact O-CB 3.48Å; C109-D113 PolarHBondContact O-N 2.94Å; L110-D113 PolarHBondContact O-N 3.03Å; D113-S116 PolarHBondContact O-N 3.43Å; D113-A117 VanDerWaalsContact O-CB 3.29Å; D113-A117 WeakPolarHBondContact O-CB 3.37Å; D113-A117 PolarHBondContact O-N 3.29Å |
| 114 | R | 90.4 | Very high | 85.6 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 172.1 | -65.1 | -50 | 76.8 | -174.5 | -1.4 | 112.7 | S43 L110 S111 L112 S116 A117 V118 I202 V235 T238 | S43-R114 PolarHBondContact OG-NH2 2.93Å; L110-R114 WeakPolarHBondContact O-CG 3.42Å; L110-R114 PolarHBondContact O-N 3.35Å; S111-R114 WeakPolarHBondContact O-CB 3.42Å; S111-R114 PolarHBondContact O-N 3.16Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 2.77Å; R114-S116 VanDerWaalsContact C-N 3.32Å; R114-A117 PolarHBondContact O-N 2.96Å; R114-V118 WeakPolarHBondContact O-CG2 3.4Å; R114-V118 PolarHBondContact O-N 3.46Å; R114-V118 VanDerWaalsContact O-N 3.1Å; R114-I202 HydrophobicContact CB-CD1 3.69Å; R114-V235 HydrophobicContact CB-CG2 4.2Å; R114-V235 HydrophobicContact CG-CG2 4.37Å; R114-T238 HydrophobicContact CG-CG2 3.87Å |
| 115 | V | 89.7 | Confident | 84.2 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 174.2 | 175 | 0 | 0 | 0 | 0 | 109.6 | S111 L112 A117 V118 I119 S198 W201 I202 | S111-V115 PolarHBondContact O-N 2.79Å; L112-V115 PolarHBondContact O-N 3.32Å; V115-A117 VanDerWaalsContact C-N 3.29Å; V115-A117 PolarHBondContact O-N 2.95Å; V115-V118 PolarHBondContact O-N 2.7Å; V115-V118 VanDerWaalsContact O-N 3.13Å; V115-I119 HydrophobicContact CG1-CD1 3.53Å; V115-I119 HydrophobicContact CG1-CG1 4.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.18Å; V115-I119 PolarHBondContact O-N 3.3Å; V115-S198 VanDerWaalsContact CG2-CB 3.42Å; V115-W201 HydrophobicContact CG1-CE3 4.22Å; V115-I202 HydrophobicContact CB-CG1 4.47Å; V115-I202 HydrophobicContact CG2-CD1 3.78Å; V115-I202 HydrophobicContact CG2-CG1 3.84Å |
| 116 | S | 86.3 | Confident | 83 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -39.9 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | L112 D113 R114 V118 F120 | L112-S116 WeakPolarHBondContact O-CB 3.39Å; L112-S116 PolarHBondContact O-N 3.42Å; L112-S116 PolarHBondContact O-OG 2.88Å; D113-S116 PolarHBondContact O-N 3.43Å; R114-S116 VanDerWaalsContact C-N 3.32Å; S116-V118 VanDerWaalsContact C-N 3.34Å; S116-V118 PolarHBondContact O-N 2.91Å; S116-F120 WeakPolarHBondContact O-CB 3.26Å; S116-F120 PolarHBondContact O-N 2.84Å |
| 117 | A | 85.1 | Confident | 81.9 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D113 R114 V115 I124 | D113-A117 VanDerWaalsContact O-CB 3.29Å; D113-A117 WeakPolarHBondContact O-CB 3.37Å; D113-A117 PolarHBondContact O-N 3.29Å; R114-A117 PolarHBondContact O-N 2.96Å; V115-A117 VanDerWaalsContact C-N 3.29Å; V115-A117 PolarHBondContact O-N 2.95Å; A117-I124 HydrophobicContact CB-CD1 4.43Å |
| 118 | V | 82.2 | Confident | 81.2 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -80.6 | -39 | -179.9 | 173 | 0 | 0 | 0 | 0 | 111.5 | R114 V115 S116 I202 A205 I231 | R114-V118 WeakPolarHBondContact O-CG2 3.4Å; R114-V118 PolarHBondContact O-N 3.46Å; R114-V118 VanDerWaalsContact O-N 3.1Å; V115-V118 PolarHBondContact O-N 2.7Å; V115-V118 VanDerWaalsContact O-N 3.13Å; S116-V118 VanDerWaalsContact C-N 3.34Å; S116-V118 PolarHBondContact O-N 2.91Å; V118-I202 HydrophobicContact CG2-CG1 4.41Å; V118-I202 HydrophobicContact CG2-CG2 4Å; V118-A205 HydrophobicContact CG1-CB 4Å; V118-I231 HydrophobicContact CG2-CG2 3.8Å |
| 119 | I | 78.6 | Confident | 80.6 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -79.8 | -45.8 | -177.4 | -62.2 | 176.6 | 0 | 0 | 0 | 111.3 | V115 W201 | V115-I119 HydrophobicContact CG1-CD1 3.53Å; V115-I119 HydrophobicContact CG1-CG1 4.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.18Å; V115-I119 PolarHBondContact O-N 3.3Å; I119-W201 HydrophobicContact CD1-CD2 4.46Å; I119-W201 HydrophobicContact CD1-CH2 4.1Å; I119-W201 HydrophobicContact CD1-CZ2 3.69Å |
| 120 | F | 74.1 | Confident | 80.2 | Confident | 105 Ų | 105 | 63 Ų | 63 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | trans | -109.9 | 46.8 | -168.1 | -59.8 | -71.3 | 0 | 0 | 0 | 113.4 | S116 G122 S123 I124 | S116-F120 WeakPolarHBondContact O-CB 3.26Å; S116-F120 PolarHBondContact O-N 2.84Å; F120-G122 PolarHBondContact O-N 3.14Å; F120-S123 PolarHBondContact O-N 3.07Å; F120-I124 HydrophobicContact CB-CG1 4.21Å; F120-I124 VanDerWaalsContact O-CD1 3.28Å; F120-I124 WeakPolarHBondContact O-CD1 3.26Å; F120-I124 VanDerWaalsContact O-CG1 3.3Å; F120-I124 WeakPolarHBondContact O-CG1 3.46Å; F120-I124 PolarHBondContact O-N 3.32Å | ||
| 121 | T | 68.3 | Low | 79.9 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 63% | 0.632 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -31.3 | -176.5 | -42.1 | 0 | 0 | 0 | 0 | 114 | ||
| 122 | G | 64.2 | Low | 79.9 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 73% | 0.732 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -31.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | F120 | F120-G122 PolarHBondContact O-N 3.14Š|
| 123 | S | 60.5 | Low | 79.9 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -10.6 | -165.3 | -52.2 | 0 | 0 | 0 | 0 | 114.8 | F120 K125 V126 Y127 | F120-S123 PolarHBondContact O-N 3.07Å; S123-K125 PolarHBondContact O-N 3.37Å; S123-K125 VanDerWaalsContact O-N 3.15Å; S123-V126 PolarHBondContact O-N 2.65Å; S123-Y127 VanDerWaalsContact O-CD2 3.27Å; S123-Y127 WeakPolarHBondContact O-CD2 3.44Å; S123-Y127 PolarHBondContact O-N 3.48Å |
| 124 | I | 64 | Low | 80.1 | Confident | 24 Ų | 24 | 73.7 Ų | 73.7 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.5 | -32.6 | -175.1 | -69.8 | 155 | 0 | 0 | 0 | 112.7 | A117 F120 V126 Y127 A128 | A117-I124 HydrophobicContact CB-CD1 4.43Å; F120-I124 HydrophobicContact CB-CG1 4.21Å; F120-I124 VanDerWaalsContact O-CD1 3.28Å; F120-I124 WeakPolarHBondContact O-CD1 3.26Å; F120-I124 VanDerWaalsContact O-CG1 3.3Å; F120-I124 WeakPolarHBondContact O-CG1 3.46Å; F120-I124 PolarHBondContact O-N 3.32Å; I124-V126 VanDerWaalsContact C-N 3.32Å; I124-V126 PolarHBondContact O-N 3.2Å; I124-Y127 PolarHBondContact O-N 2.83Å; I124-A128 PolarHBondContact O-N 3.37Å; I124-A128 VanDerWaalsContact O-N 3.09Å |
| 125 | K | 67 | Low | 80.3 | Confident | 197 Ų | 197 | 73.9 Ų | 73.9 | 86% | 0.857 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.8 | -36.4 | 179 | -73.5 | -175.4 | 179.7 | 177.8 | 0 | 112.4 | S123 | S123-K125 PolarHBondContact O-N 3.37Å; S123-K125 VanDerWaalsContact O-N 3.15Å |
| 126 | V | 71.8 | Confident | 80.7 | Confident | 116 Ų | 116 | 78.6 Ų | 78.6 | 70% | 0.703 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -74.1 | -36.4 | -178.5 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | S123 I124 | S123-V126 PolarHBondContact O-N 2.65Å; I124-V126 VanDerWaalsContact C-N 3.32Å; I124-V126 PolarHBondContact O-N 3.2Å |
| 127 | Y | 75.1 | Confident | 81.2 | Confident | 105 Ų | 105 | 82.2 Ų | 82.2 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -97.3 | 4.1 | -174.6 | -60.7 | -65.6 | 0 | 0 | 0 | 114.8 | S123 I124 N129 R130 F131 | S123-Y127 VanDerWaalsContact O-CD2 3.27Å; S123-Y127 WeakPolarHBondContact O-CD2 3.44Å; S123-Y127 PolarHBondContact O-N 3.48Å; I124-Y127 PolarHBondContact O-N 2.83Å; Y127-N129 VanDerWaalsContact C-N 3.32Å; Y127-N129 PolarHBondContact O-N 3.33Å; Y127-R130 PolarHBondContact O-N 2.88Å; Y127-F131 WeakPolarHBondContact O-CD2 3.49Å; Y127-F131 PolarHBondContact O-N 3.23Å; Y127-F131 VanDerWaalsContact O-N 3.08Å |
| 128 | A | 80.5 | Confident | 81.9 | Confident | 16 Ų | 16 | 84.3 Ų | 84.3 | 13% | 0.132 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -52.3 | -46.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I124 R130 F131 F132 | I124-A128 PolarHBondContact O-N 3.37Å; I124-A128 VanDerWaalsContact O-N 3.09Å; A128-R130 VanDerWaalsContact C-N 3.31Å; A128-R130 PolarHBondContact O-N 2.9Å; A128-F131 PolarHBondContact O-N 3.47Å; A128-F132 WeakPolarHBondContact O-CD2 3.39Å; A128-F132 PolarHBondContact O-N 2.97Å; A128-F132 VanDerWaalsContact O-N 3.08Å |
| 129 | N | 84.7 | Confident | 82.6 | Confident | 125 Ų | 125 | 83.4 Ų | 83.4 | 67% | 0.668 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.1 | -36 | 179.9 | -70.7 | -0.3 | 0 | 0 | 0 | 112.5 | Y127 F132 I133 | Y127-N129 VanDerWaalsContact C-N 3.32Å; Y127-N129 PolarHBondContact O-N 3.33Å; N129-F132 PolarHBondContact O-N 2.94Å; N129-I133 WeakPolarHBondContact O-CG1 3.24Å; N129-I133 PolarHBondContact O-N 3.3Å; N129-I133 VanDerWaalsContact O-N 3.1Å |
| 130 | R | 87.6 | Confident | 83.5 | Confident | 168 Ų | 168 | 85.1 Ų | 85.1 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.8 | -40.4 | 176.5 | -65.4 | -169.9 | -178.5 | 176 | -3 | 111.4 | Y127 A128 F132 I133 L134 | Y127-R130 PolarHBondContact O-N 2.88Å; A128-R130 VanDerWaalsContact C-N 3.31Å; A128-R130 PolarHBondContact O-N 2.9Å; R130-F132 VanDerWaalsContact C-N 3.31Å; R130-F132 PolarHBondContact O-N 3.43Å; R130-I133 PolarHBondContact O-N 3.5Å; R130-L134 WeakPolarHBondContact O-CB 3.45Å; R130-L134 WeakPolarHBondContact O-CG 3.28Å; R130-L134 PolarHBondContact O-N 3.07Å |
| 131 | F | 89.6 | Confident | 84.7 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 23% | 0.228 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 174.6 | -72.1 | -63.5 | 0 | 0 | 0 | 112.2 | F42 Y127 A128 Y135 | F42-F131 HydrophobicContact CD1-CB 3.9Å; F42-F131 HydrophobicContact CD1-CG 4.46Å; F42-F131 HydrophobicContact CD2-CB 4.14Å; F42-F131 HydrophobicContact CE1-CB 3.86Å; F42-F131 HydrophobicContact CE1-CG 4.44Å; F42-F131 HydrophobicContact CE2-CB 4.14Å; F42-F131 WeakPolarHBondContact CE2-O 3.29Å; F42-F131 HydrophobicContact CG-CB 4.03Å; F42-F131 HydrophobicContact CZ-CB 3.98Å; Y127-F131 WeakPolarHBondContact O-CD2 3.49Å; Y127-F131 PolarHBondContact O-N 3.23Å; Y127-F131 VanDerWaalsContact O-N 3.08Å; A128-F131 PolarHBondContact O-N 3.47Å; F131-Y135 VanDerWaalsContact O-CB 3.24Å; F131-Y135 WeakPolarHBondContact O-CB 3.13Å; F131-Y135 PolarHBondContact O-N 3.31Å |
| 132 | F | 92.9 | Very high | 86.1 | Confident | 47 Ų | 47 | 78.3 Ų | 78.3 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 173.4 | -83.1 | -74.7 | 0 | 0 | 0 | 112.6 | F42 F45 A128 N129 R130 L134 Y135 F136 | F42-F132 HydrophobicContact CB-CD2 4.49Å; F42-F132 HydrophobicContact CB-CE2 3.93Å; F42-F132 HydrophobicContact CB-CZ 4.13Å; F42-F132 AromaticContact CD2-CD1 3.84Å; F42-F132 HydrophobicContact CD2-CD1 3.84Å; F42-F132 HydrophobicContact CD2-CD2 4.05Å; F42-F132 AromaticContact CD2-CE1 3.88Å; F42-F132 HydrophobicContact CD2-CE1 3.88Å; F42-F132 HydrophobicContact CD2-CE2 4.06Å; F42-F132 AromaticContact CD2-CG 3.93Å; F42-F132 HydrophobicContact CD2-CG 3.93Å; F42-F132 AromaticContact CD2-CZ 3.98Å; F42-F132 HydrophobicContact CD2-CZ 3.98Å; F42-F132 HydrophobicContact CE2-CD1 4.29Å; F42-F132 HydrophobicContact CE2-CG 4.46Å; F45-F132 HydrophobicContact CB-CE1 3.84Å; F45-F132 HydrophobicContact CB-CZ 4Å; F45-F132 HydrophobicContact CD1-CD1 4.25Å; F45-F132 AromaticContact CD1-CE1 3.59Å; F45-F132 HydrophobicContact CD1-CE1 3.59Å; F45-F132 HydrophobicContact CD2-CE1 4.23Å; F45-F132 HydrophobicContact CE1-CD1 4.46Å; F45-F132 HydrophobicContact CE1-CE1 4.16Å; F45-F132 AromaticContact CG-CE1 3.63Å; F45-F132 HydrophobicContact CG-CE1 3.63Å; F45-F132 HydrophobicContact CG-CZ 4.29Å; A128-F132 WeakPolarHBondContact O-CD2 3.39Å; A128-F132 PolarHBondContact O-N 2.97Å; A128-F132 VanDerWaalsContact O-N 3.08Å; N129-F132 PolarHBondContact O-N 2.94Å; R130-F132 VanDerWaalsContact C-N 3.31Å; R130-F132 PolarHBondContact O-N 3.43Å; F132-L134 PolarHBondContact O-N 3.37Å; F132-Y135 WeakPolarHBondContact O-CB 3.16Å; F132-Y135 PolarHBondContact O-N 3.01Å; F132-F136 HydrophobicContact CD1-CE2 4.19Å; F132-F136 WeakPolarHBondContact O-CD2 3.15Å; F132-F136 PolarHBondContact O-N 2.93Å |
| 133 | I | 94.1 | Very high | 87.6 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 53% | 0.533 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -48 | 179.8 | -66.3 | 166.1 | 0 | 0 | 0 | 110.4 | N129 R130 Y135 F136 I137 | N129-I133 WeakPolarHBondContact O-CG1 3.24Å; N129-I133 PolarHBondContact O-N 3.3Å; N129-I133 VanDerWaalsContact O-N 3.1Å; R130-I133 PolarHBondContact O-N 3.5Å; I133-Y135 VanDerWaalsContact C-N 3.31Å; I133-Y135 PolarHBondContact O-N 3.37Å; I133-F136 PolarHBondContact O-N 2.82Å; I133-I137 HydrophobicContact CG2-CD1 3.71Å; I133-I137 HydrophobicContact CG2-CG1 4.43Å; I133-I137 WeakPolarHBondContact O-CG1 3.48Å; I133-I137 PolarHBondContact O-N 3.37Å |
| 134 | L | 94.9 | Very high | 89.4 | Confident | 111 Ų | 111 | 78.4 Ų | 78.4 | 58% | 0.581 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.8 | -40.1 | 177.8 | -71.7 | 172 | 0 | 0 | 0 | 112.1 | R130 F132 Y138 | R130-L134 WeakPolarHBondContact O-CB 3.45Å; R130-L134 WeakPolarHBondContact O-CG 3.28Å; R130-L134 PolarHBondContact O-N 3.07Å; F132-L134 PolarHBondContact O-N 3.37Å; L134-Y138 WeakPolarHBondContact O-CB 3.38Å; L134-Y138 PolarHBondContact O-N 3.46Å |
| 135 | Y | 96.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 79.4 Ų | 79.4 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.9 | -51.1 | 174.6 | 171.2 | -88.8 | 0 | 0 | 0 | 111.7 | F42 F45 I46 N106 C109 F131 F132 I133 I137 Y138 M139 | F42-Y135 HydrophobicContact CE2-CD2 4.32Å; F42-Y135 HydrophobicContact CE2-CG 4.08Å; F42-Y135 HydrophobicContact CZ-CD2 4.26Å; F42-Y135 HydrophobicContact CZ-CG 4.35Å; F45-Y135 AromaticContact CE1-CD1 3.96Å; F45-Y135 HydrophobicContact CE1-CD1 3.96Å; F45-Y135 AromaticContact CE1-CE1 3.53Å; F45-Y135 HydrophobicContact CE1-CE1 3.53Å; F45-Y135 AromaticContact CE1-CZ 3.9Å; F45-Y135 HydrophobicContact CZ-CE1 4.07Å; I46-Y135 HydrophobicContact CG1-CD2 4.48Å; I46-Y135 HydrophobicContact CG1-CE2 4.33Å; N106-Y135 WeakPolarHBondContact OD1-CE2 3.47Å; N106-Y135 PolarHBondContact OD1-OH 3.45Å; C109-Y135 HydrophobicContact CB-CD2 3.86Å; C109-Y135 HydrophobicContact CB-CE2 3.96Å; F131-Y135 VanDerWaalsContact O-CB 3.24Å; F131-Y135 WeakPolarHBondContact O-CB 3.13Å; F131-Y135 PolarHBondContact O-N 3.31Å; F132-Y135 WeakPolarHBondContact O-CB 3.16Å; F132-Y135 PolarHBondContact O-N 3.01Å; I133-Y135 VanDerWaalsContact C-N 3.31Å; I133-Y135 PolarHBondContact O-N 3.37Å; Y135-I137 PolarHBondContact O-N 2.84Å; Y135-Y138 PolarHBondContact O-N 3.25Å; Y135-M139 HydrophobicContact CD1-CG 4.12Å; Y135-M139 HydrophobicContact CD2-CG 4.12Å; Y135-M139 HydrophobicContact CE1-CG 3.75Å; Y135-M139 HydrophobicContact CE2-CG 3.78Å; Y135-M139 HydrophobicContact CE2-SD 4.1Å; Y135-M139 HydrophobicContact CG-CG 4.29Å; Y135-M139 WeakPolarHBondContact O-CB 3.46Å; Y135-M139 VanDerWaalsContact O-CG 3.23Å; Y135-M139 WeakPolarHBondContact O-CG 3.16Å; Y135-M139 PolarHBondContact O-N 3.42Å |
| 136 | F | 97.4 | Very high | 92.3 | Very high | 113 Ų | 113 | 70.2 Ų | 70.2 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | -178.1 | -75.5 | -66.5 | 0 | 0 | 0 | 112.4 | F45 F132 I133 L140 | F45-F136 HydrophobicContact CE1-CZ 4.39Å; F45-F136 HydrophobicContact CZ-CE1 4.32Å; F45-F136 AromaticContact CZ-CZ 3.84Å; F45-F136 HydrophobicContact CZ-CZ 3.84Å; F132-F136 HydrophobicContact CD1-CE2 4.19Å; F132-F136 WeakPolarHBondContact O-CD2 3.15Å; F132-F136 PolarHBondContact O-N 2.93Å; I133-F136 PolarHBondContact O-N 2.82Å; F136-L140 VanDerWaalsContact O-CB 3.23Å; F136-L140 WeakPolarHBondContact O-CB 3.25Å; F136-L140 PolarHBondContact O-N 2.83Å |
| 137 | I | 97.8 | Very high | 93.4 | Very high | 95 Ų | 95 | 65.2 Ų | 65.2 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 174 | -67.7 | 170.1 | 0 | 0 | 0 | 109.8 | I133 Y135 L140 S141 | I133-I137 HydrophobicContact CG2-CD1 3.71Å; I133-I137 HydrophobicContact CG2-CG1 4.43Å; I133-I137 WeakPolarHBondContact O-CG1 3.48Å; I133-I137 PolarHBondContact O-N 3.37Å; Y135-I137 PolarHBondContact O-N 2.84Å; I137-L140 PolarHBondContact O-N 3.44Å; I137-S141 WeakPolarHBondContact O-CB 3.33Å; I137-S141 PolarHBondContact O-N 3.42Å; I137-S141 PolarHBondContact O-OG 3.31Å |
| 138 | Y | 97.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 63 Ų | 63 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 178.9 | 175.3 | -99.2 | 0 | 0 | 0 | 112.5 | Q105 C109 L134 Y135 L140 S141 M142 | Q105-Y138 HydrophobicContact CB-CE1 3.98Å; Q105-Y138 PolarHBondContact OE1-OH 3.48Å; C109-Y138 VanDerWaalsContact SG-CD1 3.58Å; L134-Y138 WeakPolarHBondContact O-CB 3.38Å; L134-Y138 PolarHBondContact O-N 3.46Å; Y135-Y138 PolarHBondContact O-N 3.25Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.1Å; Y138-S141 PolarHBondContact O-N 3.38Å; Y138-M142 HydrophobicContact CD1-CG 4.44Å; Y138-M142 HydrophobicContact CD2-CE 4.09Å; Y138-M142 HydrophobicContact CD2-CG 4.47Å; Y138-M142 HydrophobicContact CE1-CG 4.05Å; Y138-M142 HydrophobicContact CE2-CE 3.34Å; Y138-M142 HydrophobicContact CE2-CG 4.11Å; Y138-M142 WeakPolarHBondContact O-CG 3.02Å; Y138-M142 PolarHBondContact O-N 3.05Å |
| 139 | M | 97.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.059 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | -179.8 | -68.5 | -60.7 | -66.9 | 0 | 0 | 111.3 | F53 L102 Q105 N106 Y135 M142 V143 | F53-M139 HydrophobicContact CE2-CE 3.77Å; F53-M139 HydrophobicContact CZ-CE 4.2Å; L102-M139 HydrophobicContact CB-CE 4.23Å; L102-M139 HydrophobicContact CD2-CE 3.53Å; L102-M139 WeakPolarHBondContact O-CE 3.48Å; Q105-M139 HydrophobicContact CB-CE 4.14Å; Q105-M139 HydrophobicContact CB-SD 3.72Å; N106-M139 HydrophobicContact CB-CE 4.47Å; Y135-M139 HydrophobicContact CD1-CG 4.12Å; Y135-M139 HydrophobicContact CD2-CG 4.12Å; Y135-M139 HydrophobicContact CE1-CG 3.75Å; Y135-M139 HydrophobicContact CE2-CG 3.78Å; Y135-M139 HydrophobicContact CE2-SD 4.1Å; Y135-M139 HydrophobicContact CG-CG 4.29Å; Y135-M139 WeakPolarHBondContact O-CB 3.46Å; Y135-M139 VanDerWaalsContact O-CG 3.23Å; Y135-M139 WeakPolarHBondContact O-CG 3.16Å; Y135-M139 PolarHBondContact O-N 3.42Å; M139-M142 PolarHBondContact O-N 3.22Å; M139-V143 WeakPolarHBondContact O-CG2 3.32Å; M139-V143 PolarHBondContact O-N 2.88Å |
| 140 | L | 97.9 | Very high | 95 | Very high | 107 Ų | 107 | 57.6 Ų | 57.6 | 56% | 0.56 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.1 | -47.6 | 175.7 | -179.8 | 62.3 | 0 | 0 | 0 | 111.1 | F136 I137 Y138 M142 V143 L144 | F136-L140 VanDerWaalsContact O-CB 3.23Å; F136-L140 WeakPolarHBondContact O-CB 3.25Å; F136-L140 PolarHBondContact O-N 2.83Å; I137-L140 PolarHBondContact O-N 3.44Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.1Å; L140-M142 VanDerWaalsContact C-N 3.31Å; L140-M142 PolarHBondContact O-N 3.48Å; L140-V143 PolarHBondContact O-N 3.3Å; L140-L144 HydrophobicContact CD1-CD1 4.48Å; L140-L144 HydrophobicContact CD1-CG 4.37Å; L140-L144 HydrophobicContact CG-CD1 4.19Å; L140-L144 HydrophobicContact CG-CG 4.49Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.07Å; L140-L144 PolarHBondContact O-N 3.29Å |
| 141 | S | 98 | Very high | 95.1 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | I137 Y138 L144 I145 | I137-S141 WeakPolarHBondContact O-CB 3.33Å; I137-S141 PolarHBondContact O-N 3.42Å; I137-S141 PolarHBondContact O-OG 3.31Å; Y138-S141 PolarHBondContact O-N 3.38Å; S141-L144 PolarHBondContact O-N 2.94Å; S141-I145 WeakPolarHBondContact O-CB 3.1Å; S141-I145 VanDerWaalsContact O-CG1 3.26Å; S141-I145 WeakPolarHBondContact O-CG1 3.33Å; S141-I145 PolarHBondContact O-N 2.82Å |
| 142 | M | 97.7 | Very high | 95 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 178.4 | -69 | -60.5 | 163.8 | 0 | 0 | 112.7 | Q105 Y138 M139 L140 I145 L146 F186 | Q105-M142 HydrophobicContact CB-CB 4.5Å; Q105-M142 HydrophobicContact CG-CB 3.78Å; Q105-M142 HydrophobicContact CG-CG 3.89Å; Y138-M142 HydrophobicContact CD1-CG 4.44Å; Y138-M142 HydrophobicContact CD2-CE 4.09Å; Y138-M142 HydrophobicContact CD2-CG 4.47Å; Y138-M142 HydrophobicContact CE1-CG 4.05Å; Y138-M142 HydrophobicContact CE2-CE 3.34Å; Y138-M142 HydrophobicContact CE2-CG 4.11Å; Y138-M142 WeakPolarHBondContact O-CG 3.02Å; Y138-M142 PolarHBondContact O-N 3.05Å; M139-M142 PolarHBondContact O-N 3.22Å; L140-M142 VanDerWaalsContact C-N 3.31Å; L140-M142 PolarHBondContact O-N 3.48Å; M142-I145 PolarHBondContact O-N 3.33Å; M142-L146 VanDerWaalsContact O-CB 3.26Å; M142-L146 WeakPolarHBondContact O-CB 3.46Å; M142-L146 PolarHBondContact O-N 2.96Å; M142-L146 HydrophobicContact SD-CD1 4.47Å; M142-F186 HydrophobicContact CE-CD1 4.03Å; M142-F186 HydrophobicContact SD-CB 4.26Å; M142-F186 HydrophobicContact SD-CD1 4.24Å |
| 143 | V | 97.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -63.6 | -42.8 | 173 | 169.9 | 0 | 0 | 0 | 0 | 111 | L98 L102 M139 L140 Y147 V148 | L98-V143 HydrophobicContact CD1-CG1 4.08Å; L98-V143 HydrophobicContact CD1-CG2 4.18Å; L102-V143 HydrophobicContact CD2-CG2 3.59Å; L102-V143 HydrophobicContact CG-CG2 4.35Å; M139-V143 WeakPolarHBondContact O-CG2 3.32Å; M139-V143 PolarHBondContact O-N 2.88Å; L140-V143 PolarHBondContact O-N 3.3Å; V143-Y147 HydrophobicContact CG1-CD1 4.25Å; V143-Y147 WeakPolarHBondContact O-CA 3.45Å; V143-Y147 WeakPolarHBondContact O-CB 3.27Å; V143-Y147 PolarHBondContact O-N 3.04Å; V143-V148 PolarHBondContact O-N 2.95Å |
| 144 | L | 96.6 | Very high | 94.4 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -64.2 | -40.4 | 177.4 | -68.4 | 175.6 | 0 | 0 | 0 | 112.3 | L140 S141 V148 | L140-L144 HydrophobicContact CD1-CD1 4.48Å; L140-L144 HydrophobicContact CD1-CG 4.37Å; L140-L144 HydrophobicContact CG-CD1 4.19Å; L140-L144 HydrophobicContact CG-CG 4.49Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.07Å; L140-L144 PolarHBondContact O-N 3.29Å; S141-L144 PolarHBondContact O-N 2.94Å; L144-V148 HydrophobicContact CD2-CG2 3.9Å |
| 145 | I | 95.7 | Very high | 94 | Very high | 45 Ų | 45 | 47 Ų | 47 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -74.7 | -47.5 | -178.2 | -69.4 | 166.2 | 0 | 0 | 0 | 111.2 | S141 M142 P149 Y178 F186 | S141-I145 WeakPolarHBondContact O-CB 3.1Å; S141-I145 VanDerWaalsContact O-CG1 3.26Å; S141-I145 WeakPolarHBondContact O-CG1 3.33Å; S141-I145 PolarHBondContact O-N 2.82Å; M142-I145 PolarHBondContact O-N 3.33Å; I145-P149 WeakPolarHBondContact O-CD 3.44Å; I145-P149 VanDerWaalsContact O-CG 3.31Å; I145-P149 WeakPolarHBondContact O-CG 3.29Å; I145-Y178 PolarHBondContact O-OH 3.1Å; I145-F186 HydrophobicContact CG2-CD2 3.89Å; I145-F186 HydrophobicContact CG2-CE2 4.27Å; I145-F186 HydrophobicContact CG2-CG 4.26Å |
| 146 | L | 96 | Very high | 93.6 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -96.4 | -40.6 | -168.4 | -68.6 | 171.3 | 0 | 0 | 0 | 113.7 | V101 M142 S182 W183 F186 A187 | V101-L146 HydrophobicContact CG1-CB 4.14Å; V101-L146 HydrophobicContact CG1-CD1 3.94Å; V101-L146 HydrophobicContact CG2-CB 3.85Å; V101-L146 HydrophobicContact CG2-CD1 4.23Å; M142-L146 VanDerWaalsContact O-CB 3.26Å; M142-L146 WeakPolarHBondContact O-CB 3.46Å; M142-L146 PolarHBondContact O-N 2.96Å; M142-L146 HydrophobicContact SD-CD1 4.47Å; L146-S182 VanDerWaalsContact CD2-O 3.32Å; L146-S182 WeakPolarHBondContact CD2-O 3.33Å; L146-W183 HydrophobicContact CD2-CE3 4.14Å; L146-F186 HydrophobicContact CD1-CB 4.11Å; L146-F186 HydrophobicContact CD2-CB 3.89Å; L146-F186 HydrophobicContact CG-CB 4.15Å; L146-A187 HydrophobicContact CD1-CB 4.03Å; L146-A187 HydrophobicContact CD2-CB 4.19Å |
| 147 | Y | 95.6 | Very high | 93 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -93.3 | -46 | -172.2 | 177.2 | -108.3 | 0 | 0 | 0 | 112.8 | F89 S94 L98 V143 P149 V150 P151 | F89-Y147 WeakPolarHBondContact CD1-OH 3.44Å; F89-Y147 HydrophobicContact CE1-CE1 4.42Å; S94-Y147 WeakPolarHBondContact O-CE2 3.43Å; L98-Y147 HydrophobicContact CB-CD1 4.22Å; L98-Y147 HydrophobicContact CB-CD2 3.69Å; L98-Y147 HydrophobicContact CB-CE1 4.05Å; L98-Y147 HydrophobicContact CB-CE2 3.52Å; L98-Y147 HydrophobicContact CB-CG 4.03Å; L98-Y147 HydrophobicContact CD1-CD1 3.67Å; L98-Y147 HydrophobicContact CD1-CD2 4.39Å; L98-Y147 HydrophobicContact CD1-CE1 4.04Å; L98-Y147 HydrophobicContact CD1-CG 3.84Å; L98-Y147 HydrophobicContact CD2-CE1 4.16Å; L98-Y147 HydrophobicContact CG-CD1 4.37Å; L98-Y147 HydrophobicContact CG-CE1 4.3Å; L98-Y147 HydrophobicContact CG-CG 4.5Å; V143-Y147 HydrophobicContact CG1-CD1 4.25Å; V143-Y147 WeakPolarHBondContact O-CA 3.45Å; V143-Y147 WeakPolarHBondContact O-CB 3.27Å; V143-Y147 PolarHBondContact O-N 3.04Å; Y147-P149 VanDerWaalsContact C-N 3.3Å; Y147-V150 VanDerWaalsContact O-CB 3.32Å; Y147-V150 WeakPolarHBondContact O-CB 3.06Å; Y147-V150 PolarHBondContact O-N 3.14Å; Y147-P151 HydrophobicContact CE1-CG 4.08Å; Y147-P151 HydrophobicContact CE2-CG 4.35Å; Y147-P151 WeakPolarHBondContact O-CD 3.35Å |
| 148 | V | 93.5 | Very high | 92.3 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 35% | 0.352 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -37.6 | -176.7 | 171 | 0 | 0 | 0 | 0 | 114 | V143 L144 V150 P151 L152 | V143-V148 PolarHBondContact O-N 2.95Å; L144-V148 HydrophobicContact CD2-CG2 3.9Å; V148-V150 PolarHBondContact O-N 3.39Å; V148-P151 WeakPolarHBondContact O-CD 3.41Å; V148-L152 HydrophobicContact CG1-CD1 4.15Å; V148-L152 WeakPolarHBondContact O-CG 3.49Å |
| 149 | P | 91.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -27.8 | 174.3 | -25 | 35.5 | 0 | 0 | 0 | 114 | I145 Y147 L152 L153 F175 Y178 V179 | I145-P149 WeakPolarHBondContact O-CD 3.44Å; I145-P149 VanDerWaalsContact O-CG 3.31Å; I145-P149 WeakPolarHBondContact O-CG 3.29Å; Y147-P149 VanDerWaalsContact C-N 3.3Å; P149-L152 WeakPolarHBondContact O-CB 3.48Å; P149-L152 PolarHBondContact O-N 3.36Å; P149-L153 PolarHBondContact O-N 2.87Å; P149-F175 HydrophobicContact CB-CE2 4.12Å; P149-F175 HydrophobicContact CB-CZ 4.04Å; P149-Y178 HydrophobicContact CB-CE1 4.48Å; P149-Y178 HydrophobicContact CG-CE1 3.8Å; P149-V179 HydrophobicContact CB-CG2 3.76Å |
| 150 | V | 89.9 | Confident | 90.9 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.3 | -50.7 | -173.9 | 177 | 0 | 0 | 0 | 0 | 112.2 | Y147 V148 L152 L153 R154 | Y147-V150 VanDerWaalsContact O-CB 3.32Å; Y147-V150 WeakPolarHBondContact O-CB 3.06Å; Y147-V150 PolarHBondContact O-N 3.14Å; V148-V150 PolarHBondContact O-N 3.39Å; V150-L152 PolarHBondContact O-N 3.25Å; V150-L153 WeakPolarHBondContact O-CB 3.27Å; V150-L153 PolarHBondContact O-N 3.24Å; V150-R154 PolarHBondContact O-NH1 3.42Å |
| 151 | P | 88.8 | Confident | 90.3 | Very high | 12 Ų | 12 | 54 Ų | 54 | 8% | 0.078 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -30.7 | 170.5 | -27.4 | 35.9 | 0 | 0 | 0 | 114.4 | H88 Y147 V148 L153 R154 | H88-P151 HydrophobicContact CB-CB 4.23Å; H88-P151 PolarHBondContact CD2-O 2.6Å; Y147-P151 HydrophobicContact CE1-CG 4.08Å; Y147-P151 HydrophobicContact CE2-CG 4.35Å; Y147-P151 WeakPolarHBondContact O-CD 3.35Å; V148-P151 WeakPolarHBondContact O-CD 3.41Å; P151-L153 PolarHBondContact O-N 3.3Å; P151-R154 WeakPolarHBondContact O-CB 3.27Å; P151-R154 PolarHBondContact O-N 3.3Å |
| 152 | L | 88 | Confident | 89.7 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71 | -17.2 | -179.1 | -64.1 | 176.5 | 0 | 0 | 0 | 113.4 | V148 P149 V150 R154 F167 F175 | V148-L152 HydrophobicContact CG1-CD1 4.15Å; V148-L152 WeakPolarHBondContact O-CG 3.49Å; P149-L152 WeakPolarHBondContact O-CB 3.48Å; P149-L152 PolarHBondContact O-N 3.36Å; V150-L152 PolarHBondContact O-N 3.25Å; L152-R154 PolarHBondContact O-N 3.17Å; L152-F167 HydrophobicContact CD1-CE2 4.29Å; L152-F167 HydrophobicContact CD2-CE2 4.41Å; L152-F175 HydrophobicContact CB-CZ 4.14Å |
| 153 | L | 86.6 | Confident | 89 | Confident | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 4.4 | 172 | -67.4 | 165.2 | 0 | 0 | 0 | 113.1 | P149 V150 P151 M163 D164 F165 F175 L176 V179 | P149-L153 PolarHBondContact O-N 2.87Å; V150-L153 WeakPolarHBondContact O-CB 3.27Å; V150-L153 PolarHBondContact O-N 3.24Å; P151-L153 PolarHBondContact O-N 3.3Å; L153-M163 HydrophobicContact CB-CE 3.85Å; L153-M163 CarbonylContact O-C 3.6Å; L153-M163 WeakPolarHBondContact O-CA 3.49Å; L153-D164 CarbonylContact C-O 3.34Å; L153-D164 PolarHBondContact O-N 2.92Å; L153-F165 HydrophobicContact CD2-CD1 3.57Å; L153-F165 HydrophobicContact CD2-CE1 3.97Å; L153-F175 HydrophobicContact CD2-CD1 3.71Å; L153-F175 HydrophobicContact CD2-CE1 3.29Å; L153-F175 HydrophobicContact CD2-CZ 4.3Å; L153-F175 HydrophobicContact CG-CE1 3.76Å; L153-F175 HydrophobicContact CG-CZ 4.39Å; L153-L176 HydrophobicContact CD2-CD2 4.19Å; L153-V179 HydrophobicContact CD1-CG1 4.3Å; L153-V179 HydrophobicContact CD1-CG2 4.36Å |
| 154 | R | 87.8 | Confident | 88.2 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 6% | 0.06 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.8 | -173.2 | -54.7 | -175.3 | -176.7 | 102.1 | 6.6 | 109.9 | C87 H88 F91 S94 V150 P151 L152 V162 M163 | C87-R154 WeakPolarHBondContact O-CD 3.43Å; H88-R154 PolarHBondContact NE2-O 3.09Å; H88-R154 PolarHBondContact O-NH1 2.91Å; F91-R154 HydrophobicContact CD1-CG 4.35Å; F91-R154 PolarHBondContact O-NE 3.42Å; F91-R154 PolarHBondContact O-NH2 3.41Å; S94-R154 PolarHBondContact OG-NH1 3.48Å; S94-R154 PolarHBondContact OG-NH2 3.1Å; S94-R154 VanDerWaalsContact OG-NH2 3.16Å; V150-R154 PolarHBondContact O-NH1 3.42Å; P151-R154 WeakPolarHBondContact O-CB 3.27Å; P151-R154 PolarHBondContact O-N 3.3Å; L152-R154 PolarHBondContact O-N 3.17Å; R154-V162 WeakPolarHBondContact CA-O 2.96Å; R154-M163 HydrophobicContact CG-SD 4.17Å |
| 155 | R | 87.2 | Confident | 87.1 | Confident | 140 Ų | 140 | 55.3 Ų | 55.3 | 53% | 0.528 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.4 | 173.9 | -173.1 | 174.6 | 178.1 | 174.4 | -0 | 109.8 | A157 V162 D164 | R155-A157 HydrophobicContact CG-CB 4.46Å; R155-V162 HydrophobicContact CB-CG2 4.49Å; R155-V162 PolarHBondContact N-O 2.9Å; R155-V162 WeakPolarHBondContact O-CG2 3.44Å; R155-V162 PolarHBondContact O-N 2.74Å; R155-D164 HydrophobicContact CB-CB 3.67Å; R155-D164 WeakPolarHBondContact CD-OD2 3.34Å; R155-D164 IonicContact NH1-OD2 3.26Å; R155-D164 PolarHBondContact NH1-OD2 3.19Å |
| 156 | Y | 86.1 | Confident | 85.7 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 9% | 0.09 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 105.4 | 169.7 | -172.6 | -112.2 | 0 | 0 | 0 | 109 | L76 Y80 D83 C87 R159 | L76-Y156 HydrophobicContact CD2-CE2 3.7Å; L76-Y156 WeakPolarHBondContact CD2-OH 3.44Å; Y80-Y156 AromaticContact CD2-CD1 3.93Å; Y80-Y156 HydrophobicContact CD2-CD1 3.93Å; Y80-Y156 AromaticContact CD2-CE1 3.6Å; Y80-Y156 HydrophobicContact CD2-CE1 3.6Å; Y80-Y156 AromaticContact CE2-CD1 3.6Å; Y80-Y156 HydrophobicContact CE2-CD1 3.6Å; Y80-Y156 AromaticContact CE2-CE1 3.74Å; Y80-Y156 HydrophobicContact CE2-CE1 3.74Å; Y80-Y156 HydrophobicContact CG-CE1 4.47Å; D83-Y156 HydrophobicContact CB-CE1 4.1Å; D83-Y156 HydrophobicContact CB-CE2 3.87Å; D83-Y156 WeakPolarHBondContact CB-OH 3.47Å; D83-Y156 PolarHBondContact OD2-OH 2.89Å; C87-Y156 HydrophobicContact CB-CD2 4.07Å; C87-Y156 HydrophobicContact CB-CG 4.44Å; Y156-R159 WeakPolarHBondContact OH-CA 3.34Å |
| 157 | A | 84.9 | Confident | 84.3 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110 | R155 R159 E160 V162 | R155-A157 HydrophobicContact CG-CB 4.46Å; A157-R159 PolarHBondContact O-N 2.99Å; A157-R159 VanDerWaalsContact O-N 3.13Å; A157-E160 PolarHBondContact N-O 2.63Å; A157-E160 PolarHBondContact O-N 3.04Å; A157-V162 HydrophobicContact CB-CG2 4.49Å |
| 158 | S | 83.9 | Confident | 83.2 | Confident | 122 Ų | 122 | 65 Ų | 65 | 85% | 0.853 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 35.5 | 175.7 | -55.5 | 0 | 0 | 0 | 0 | 115 | E160 | S158-E160 PolarHBondContact O-N 3.04Š|
| 159 | R | 81.7 | Confident | 82.3 | Confident | 196 Ų | 196 | 69.3 Ų | 69.3 | 74% | 0.74 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 14.1 | -175.1 | -55.1 | -177.8 | 175.9 | -169.5 | -1.7 | 115.4 | L76 Y156 A157 | L76-R159 VanDerWaalsContact CD1-O 3.22Å; L76-R159 WeakPolarHBondContact CD1-O 3.43Å; L76-R159 VanDerWaalsContact CD2-O 3.28Å; L76-R159 WeakPolarHBondContact CD2-O 3.44Å; Y156-R159 WeakPolarHBondContact OH-CA 3.34Å; A157-R159 PolarHBondContact O-N 2.99Å; A157-R159 VanDerWaalsContact O-N 3.13Å |
| 160 | E | 84.4 | Confident | 81.7 | Confident | 135 Ų | 135 | 72.6 Ų | 72.6 | 63% | 0.631 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.9 | 174.2 | -64.9 | -175.4 | 172.9 | 0 | 0 | 110.1 | A157 S158 V162 | A157-E160 PolarHBondContact N-O 2.63Å; A157-E160 PolarHBondContact O-N 3.04Å; S158-E160 PolarHBondContact O-N 3.04Å; E160-V162 HydrophobicContact CB-CG1 4.43Å |
| 161 | C | 85.4 | Confident | 81.3 | Confident | 28 Ų | 28 | 78.5 Ų | 78.5 | 19% | 0.189 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 114.7 | 170.1 | -169.5 | 0 | 0 | 0 | 0 | 108.2 | C87 F91 | C87-C161 WeakPolarHBondContact CA-SG 3.36Å; C87-C161 HydrophobicContact CB-CB 3.63Å; C87-C161 WeakPolarHBondContact CB-SG 3.26Å; C87-C161 PolarHBondContact O-SG 3.37Å; C87-C161 VanDerWaalsContact O-SG 3.42Å; C87-C161 WeakPolarHBondContact SG-CA 3.48Å; C87-C161 WeakPolarHBondContact SG-CB 3.33Å; C87-C161 CovalentContact SG-SG 2.03Å; C87-C161 PolarHBondContact SG-SG 3.38Å; F91-C161 HydrophobicContact CB-CB 4.47Å; F91-C161 VanDerWaalsContact CB-SG 3.52Å; F91-C161 HydrophobicContact CD1-CB 4.48Å; F91-C161 VanDerWaalsContact CD1-SG 3.58Å; F91-C161 HydrophobicContact CD2-CB 3.87Å; F91-C161 HydrophobicContact CE2-CB 4.14Å; F91-C161 HydrophobicContact CG-CB 4.05Å; F91-C161 WeakPolarHBondContact CG-SG 3.31Å; F91-C161 WeakPolarHBondContact CZ-O 3.22Å |
| 162 | V | 86 | Confident | 81 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 36% | 0.358 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 151.4 | -178.9 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | R154 R155 A157 E160 D164 | R154-V162 WeakPolarHBondContact CA-O 2.96Å; R155-V162 HydrophobicContact CB-CG2 4.49Å; R155-V162 PolarHBondContact N-O 2.9Å; R155-V162 WeakPolarHBondContact O-CG2 3.44Å; R155-V162 PolarHBondContact O-N 2.74Å; A157-V162 HydrophobicContact CB-CG2 4.49Å; E160-V162 HydrophobicContact CB-CG1 4.43Å; V162-D164 PolarHBondContact O-N 3.3Å |
| 163 | M | 82.3 | Confident | 80.7 | Confident | 50 Ų | 50 | 79.6 Ų | 79.6 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 120.9 | 166.7 | -64.1 | -62 | -63.1 | 0 | 0 | 107.3 | F91 L153 R154 F165 | F91-M163 HydrophobicContact CD1-SD 4.34Å; F91-M163 HydrophobicContact CE1-CG 4.29Å; F91-M163 HydrophobicContact CE1-SD 3.93Å; L153-M163 HydrophobicContact CB-CE 3.85Å; L153-M163 CarbonylContact O-C 3.6Å; L153-M163 WeakPolarHBondContact O-CA 3.49Å; R154-M163 HydrophobicContact CG-SD 4.17Å; M163-F165 HydrophobicContact CB-CE2 4.11Å; M163-F165 HydrophobicContact CB-CZ 4Å; M163-F165 HydrophobicContact CE-CE1 3.98Å; M163-F165 HydrophobicContact CE-CZ 4.1Å |
| 164 | D | 79.8 | Confident | 80.7 | Confident | 33 Ų | 33 | 82.5 Ų | 82.5 | 18% | 0.176 | 44% | 0.437 | C | S | . | . | trans | -122.9 | 108.7 | 176.2 | -169.1 | -4.4 | 0 | 0 | 0 | 107.5 | L153 R155 V162 S166 | L153-D164 CarbonylContact C-O 3.34Å; L153-D164 PolarHBondContact O-N 2.92Å; R155-D164 HydrophobicContact CB-CB 3.67Å; R155-D164 WeakPolarHBondContact CD-OD2 3.34Å; R155-D164 IonicContact NH1-OD2 3.26Å; R155-D164 PolarHBondContact NH1-OD2 3.19Å; V162-D164 PolarHBondContact O-N 3.3Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 VanDerWaalsContact OD1-CB 3.32Å; D164-S166 WeakPolarHBondContact OD1-CB 3.41Å; D164-S166 PolarHBondContact OD1-N 3.37Å; D164-S166 PolarHBondContact OD1-OG 3.21Å; D164-S166 PolarHBondContact OD2-OG 3.41Å | ||
| 165 | F | 74 | Confident | 80.6 | Confident | 74 Ų | 74 | 82.5 Ų | 82.5 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | trans | -86.7 | -3.2 | 177.9 | -55.3 | -71.8 | 0 | 0 | 0 | 111.5 | L153 M163 F167 S172 L176 | L153-F165 HydrophobicContact CD2-CD1 3.57Å; L153-F165 HydrophobicContact CD2-CE1 3.97Å; M163-F165 HydrophobicContact CB-CE2 4.11Å; M163-F165 HydrophobicContact CB-CZ 4Å; M163-F165 HydrophobicContact CE-CE1 3.98Å; M163-F165 HydrophobicContact CE-CZ 4.1Å; F165-F167 PolarHBondContact O-N 3.27Å; F165-S172 VanDerWaalsContact C-OG 3.26Å; F165-S172 WeakPolarHBondContact O-CA 3.15Å; F165-S172 VanDerWaalsContact O-CB 3.23Å; F165-S172 WeakPolarHBondContact O-CB 3.49Å; F165-S172 PolarHBondContact O-OG 2.92Å; F165-L176 HydrophobicContact CB-CD1 4.45Å; F165-L176 HydrophobicContact CD1-CD1 4.05Å; F165-L176 HydrophobicContact CD1-CD2 3.44Å; F165-L176 VanDerWaalsContact CD1-CD2 3.44Å; F165-L176 HydrophobicContact CD1-CG 3.93Å; F165-L176 HydrophobicContact CE1-CD2 3.62Å; F165-L176 HydrophobicContact CG-CD1 4.21Å; F165-L176 HydrophobicContact CG-CD2 4.39Å; F165-L176 HydrophobicContact CG-CG 4.47Å | ||
| 166 | S | 66.5 | Low | 80.4 | Confident | 67 Ų | 67 | 78.8 Ų | 78.8 | 47% | 0.469 | 43% | 0.428 | S | S | . | . | trans | -84.3 | 104.7 | 179.8 | 71.1 | 0 | 0 | 0 | 0 | 110.2 | D164 S172 | D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 VanDerWaalsContact OD1-CB 3.32Å; D164-S166 WeakPolarHBondContact OD1-CB 3.41Å; D164-S166 PolarHBondContact OD1-N 3.37Å; D164-S166 PolarHBondContact OD1-OG 3.21Å; D164-S166 PolarHBondContact OD2-OG 3.41Å; S166-S172 WeakPolarHBondContact CA-OG 3.34Å | ||
| 167 | F | 67.7 | Low | 80.4 | Confident | 71 Ų | 71 | 81 Ų | 81 | 31% | 0.311 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -93.1 | 127.9 | 166.3 | -156.2 | -102.8 | 0 | 0 | 0 | 108.1 | L152 F165 L169 I170 | L152-F167 HydrophobicContact CD1-CE2 4.29Å; L152-F167 HydrophobicContact CD2-CE2 4.41Å; F165-F167 PolarHBondContact O-N 3.27Å; F167-L169 HydrophobicContact CD1-CB 4.03Å; F167-L169 HydrophobicContact CE1-CB 4.21Å; F167-L169 HydrophobicContact CE1-CD1 4.19Å; F167-L169 HydrophobicContact CE1-CG 4.43Å; F167-L169 PolarHBondContact O-N 2.91Å; F167-I170 HydrophobicContact CB-CB 4.4Å; F167-I170 HydrophobicContact CD1-CD1 4.33Å; F167-I170 HydrophobicContact CD1-CG1 4.23Å; F167-I170 PolarHBondContact O-N 3.45Å |
| 168 | P | 71.9 | Confident | 80.7 | Confident | 125 Ų | 125 | 84.4 Ų | 84.4 | 81% | 0.812 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -24.8 | -172.9 | -25.6 | 32.2 | 0 | 0 | 0 | 114.4 | ||
| 169 | L | 73.9 | Confident | 80.9 | Confident | 150 Ų | 150 | 79.8 Ų | 79.8 | 79% | 0.785 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -11 | -175.9 | -61.4 | 173.3 | 0 | 0 | 0 | 114 | F167 | F167-L169 HydrophobicContact CD1-CB 4.03Å; F167-L169 HydrophobicContact CE1-CB 4.21Å; F167-L169 HydrophobicContact CE1-CD1 4.19Å; F167-L169 HydrophobicContact CE1-CG 4.43Å; F167-L169 PolarHBondContact O-N 2.91Å |
| 170 | I | 79.5 | Confident | 81.3 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 40% | 0.4 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -141.2 | 135.9 | -169.1 | -52.8 | 176 | 0 | 0 | 0 | 110.2 | F167 S172 V174 F175 | F167-I170 HydrophobicContact CB-CB 4.4Å; F167-I170 HydrophobicContact CD1-CD1 4.33Å; F167-I170 HydrophobicContact CD1-CG1 4.23Å; F167-I170 PolarHBondContact O-N 3.45Å; I170-S172 PolarHBondContact O-N 3.23Å; I170-V174 HydrophobicContact CG2-CB 4.07Å; I170-V174 HydrophobicContact CG2-CG1 4.12Å; I170-F175 HydrophobicContact CG2-CB 4.31Å |
| 171 | Q | 81.6 | Confident | 81.6 | Confident | 142 Ų | 142 | 70.6 Ų | 70.6 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | trans | -58.8 | 136.6 | 172.4 | -70 | -179.3 | -12.7 | 0 | 0 | 111.3 | S173 V174 F175 | Q171-S173 VanDerWaalsContact C-N 3.3Å; Q171-S173 PolarHBondContact O-N 2.91Å; Q171-V174 HydrophobicContact CB-CG2 4.15Å; Q171-V174 PolarHBondContact O-N 3.5Å; Q171-V174 VanDerWaalsContact O-N 3.11Å; Q171-F175 PolarHBondContact O-N 3.16Å; Q171-F175 VanDerWaalsContact O-N 3.1Å | ||
| 172 | S | 81.5 | Confident | 82 | Confident | 46 Ų | 46 | 69.6 Ų | 69.6 | 32% | 0.322 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58 | -37.4 | -174.4 | -62.1 | 0 | 0 | 0 | 0 | 114.1 | F165 S166 I170 F175 L176 | F165-S172 VanDerWaalsContact C-OG 3.26Å; F165-S172 WeakPolarHBondContact O-CA 3.15Å; F165-S172 VanDerWaalsContact O-CB 3.23Å; F165-S172 WeakPolarHBondContact O-CB 3.49Å; F165-S172 PolarHBondContact O-OG 2.92Å; S166-S172 WeakPolarHBondContact CA-OG 3.34Å; I170-S172 PolarHBondContact O-N 3.23Å; S172-F175 PolarHBondContact O-N 3.02Å; S172-L176 WeakPolarHBondContact O-CB 3.44Å; S172-L176 WeakPolarHBondContact O-CG 3.29Å; S172-L176 PolarHBondContact O-N 2.96Å |
| 173 | S | 82.3 | Confident | 82.3 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 47% | 0.469 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 175.6 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | Q171 F175 L176 D177 | Q171-S173 VanDerWaalsContact C-N 3.3Å; Q171-S173 PolarHBondContact O-N 2.91Å; S173-F175 VanDerWaalsContact C-N 3.3Å; S173-F175 PolarHBondContact O-N 2.92Å; S173-L176 PolarHBondContact O-N 2.63Å; S173-D177 WeakPolarHBondContact O-CB 3.47Å; S173-D177 VanDerWaalsContact O-CG 3.23Å; S173-D177 PolarHBondContact O-N 2.66Å |
| 174 | V | 85.6 | Confident | 82.7 | Confident | 76 Ų | 76 | 65.6 Ų | 65.6 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 179.3 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | I170 Q171 Y178 | I170-V174 HydrophobicContact CG2-CB 4.07Å; I170-V174 HydrophobicContact CG2-CG1 4.12Å; Q171-V174 HydrophobicContact CB-CG2 4.15Å; Q171-V174 PolarHBondContact O-N 3.5Å; Q171-V174 VanDerWaalsContact O-N 3.11Å; V174-Y178 WeakPolarHBondContact O-CB 3.41Å; V174-Y178 PolarHBondContact O-N 3.46Å |
| 175 | F | 85.5 | Confident | 83.4 | Confident | 17 Ų | 17 | 66.7 Ų | 66.7 | 8% | 0.075 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 177.4 | -176.6 | -122.3 | 0 | 0 | 0 | 112.1 | P149 L152 L153 I170 Q171 S172 S173 Y178 V179 | P149-F175 HydrophobicContact CB-CE2 4.12Å; P149-F175 HydrophobicContact CB-CZ 4.04Å; L152-F175 HydrophobicContact CB-CZ 4.14Å; L153-F175 HydrophobicContact CD2-CD1 3.71Å; L153-F175 HydrophobicContact CD2-CE1 3.29Å; L153-F175 HydrophobicContact CD2-CZ 4.3Å; L153-F175 HydrophobicContact CG-CE1 3.76Å; L153-F175 HydrophobicContact CG-CZ 4.39Å; I170-F175 HydrophobicContact CG2-CB 4.31Å; Q171-F175 PolarHBondContact O-N 3.16Å; Q171-F175 VanDerWaalsContact O-N 3.1Å; S172-F175 PolarHBondContact O-N 3.02Å; S173-F175 VanDerWaalsContact C-N 3.3Å; S173-F175 PolarHBondContact O-N 2.92Å; F175-Y178 WeakPolarHBondContact O-CB 3.37Å; F175-Y178 PolarHBondContact O-N 3Å; F175-V179 HydrophobicContact CE1-CG2 4.43Å; F175-V179 HydrophobicContact CE2-CG2 4.24Å; F175-V179 HydrophobicContact CZ-CG2 4.16Å; F175-V179 WeakPolarHBondContact O-CG2 3.32Å; F175-V179 PolarHBondContact O-N 3.17Å |
| 176 | L | 83.7 | Confident | 84.5 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 175.5 | -80.3 | 173.4 | 0 | 0 | 0 | 112.1 | L153 F165 S172 S173 Y178 V179 V180 | L153-L176 HydrophobicContact CD2-CD2 4.19Å; F165-L176 HydrophobicContact CB-CD1 4.45Å; F165-L176 HydrophobicContact CD1-CD1 4.05Å; F165-L176 HydrophobicContact CD1-CD2 3.44Å; F165-L176 VanDerWaalsContact CD1-CD2 3.44Å; F165-L176 HydrophobicContact CD1-CG 3.93Å; F165-L176 HydrophobicContact CE1-CD2 3.62Å; F165-L176 HydrophobicContact CG-CD1 4.21Å; F165-L176 HydrophobicContact CG-CD2 4.39Å; F165-L176 HydrophobicContact CG-CG 4.47Å; S172-L176 WeakPolarHBondContact O-CB 3.44Å; S172-L176 WeakPolarHBondContact O-CG 3.29Å; S172-L176 PolarHBondContact O-N 2.96Å; S173-L176 PolarHBondContact O-N 2.63Å; L176-Y178 VanDerWaalsContact C-N 3.28Å; L176-Y178 PolarHBondContact O-N 2.81Å; L176-V179 PolarHBondContact O-N 3.22Å; L176-V179 VanDerWaalsContact O-N 3.11Å; L176-V180 PolarHBondContact O-N 2.89Å |
| 177 | D | 87 | Confident | 85.8 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 175.7 | -69.8 | -17.4 | 0 | 0 | 0 | 110.4 | S173 V179 V180 Y181 | S173-D177 WeakPolarHBondContact O-CB 3.47Å; S173-D177 VanDerWaalsContact O-CG 3.23Å; S173-D177 PolarHBondContact O-N 2.66Å; D177-V179 PolarHBondContact O-N 3.49Å; D177-V180 PolarHBondContact O-N 3.38Å; D177-Y181 HydrophobicContact CB-CD2 4.02Å; D177-Y181 HydrophobicContact CB-CE2 4.02Å; D177-Y181 WeakPolarHBondContact O-CB 3.38Å; D177-Y181 WeakPolarHBondContact O-CD2 3.31Å; D177-Y181 PolarHBondContact O-N 3.33Å |
| 178 | Y | 89.9 | Confident | 87.1 | Confident | 107 Ų | 107 | 61.8 Ų | 61.8 | 42% | 0.42 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 175.3 | 171.7 | -93.3 | 0 | 0 | 0 | 112 | I145 P149 V174 F175 L176 V180 S182 | I145-Y178 PolarHBondContact O-OH 3.1Å; P149-Y178 HydrophobicContact CB-CE1 4.48Å; P149-Y178 HydrophobicContact CG-CE1 3.8Å; V174-Y178 WeakPolarHBondContact O-CB 3.41Å; V174-Y178 PolarHBondContact O-N 3.46Å; F175-Y178 WeakPolarHBondContact O-CB 3.37Å; F175-Y178 PolarHBondContact O-N 3Å; L176-Y178 VanDerWaalsContact C-N 3.28Å; L176-Y178 PolarHBondContact O-N 2.81Å; Y178-V180 PolarHBondContact O-N 3.15Å; Y178-S182 WeakPolarHBondContact O-CA 3.35Å; Y178-S182 WeakPolarHBondContact O-CB 3.24Å; Y178-S182 PolarHBondContact O-N 3.15Å; Y178-S182 PolarHBondContact O-OG 3.11Å |
| 179 | V | 88.8 | Confident | 88.2 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 179.5 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | P149 L153 F175 L176 D177 S182 W183 | P149-V179 HydrophobicContact CB-CG2 3.76Å; L153-V179 HydrophobicContact CD1-CG1 4.3Å; L153-V179 HydrophobicContact CD1-CG2 4.36Å; F175-V179 HydrophobicContact CE1-CG2 4.43Å; F175-V179 HydrophobicContact CE2-CG2 4.24Å; F175-V179 HydrophobicContact CZ-CG2 4.16Å; F175-V179 WeakPolarHBondContact O-CG2 3.32Å; F175-V179 PolarHBondContact O-N 3.17Å; L176-V179 PolarHBondContact O-N 3.22Å; L176-V179 VanDerWaalsContact O-N 3.11Å; D177-V179 PolarHBondContact O-N 3.49Å; V179-S182 PolarHBondContact O-OG 3.33Å; V179-W183 VanDerWaalsContact O-CB 3.27Å; V179-W183 WeakPolarHBondContact O-CB 3.34Å; V179-W183 PolarHBondContact O-N 2.97Å |
| 180 | V | 89.5 | Confident | 89.2 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.5 | -50.5 | -177.8 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | L176 D177 Y178 S182 W183 S184 Q256 T260 | L176-V180 PolarHBondContact O-N 2.89Å; D177-V180 PolarHBondContact O-N 3.38Å; Y178-V180 PolarHBondContact O-N 3.15Å; V180-S182 PolarHBondContact O-N 3.25Å; V180-W183 WeakPolarHBondContact O-CB 3.31Å; V180-W183 PolarHBondContact O-N 3.34Å; V180-S184 PolarHBondContact O-N 3.42Å; V180-S184 PolarHBondContact O-OG 3.36Å; V180-Q256 HydrophobicContact CG1-CB 3.83Å; V180-Q256 WeakPolarHBondContact CG1-O 3.28Å; V180-T260 WeakPolarHBondContact CB-OG1 3.43Å; V180-T260 WeakPolarHBondContact CG1-OG1 3.49Å; V180-T260 WeakPolarHBondContact CG2-OG1 3.41Å |
| 181 | Y | 91.6 | Very high | 90 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 48% | 0.482 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | -178.4 | -70 | -55.7 | 0 | 0 | 0 | 112.1 | D177 W183 S184 V185 T260 | D177-Y181 HydrophobicContact CB-CD2 4.02Å; D177-Y181 HydrophobicContact CB-CE2 4.02Å; D177-Y181 WeakPolarHBondContact O-CB 3.38Å; D177-Y181 WeakPolarHBondContact O-CD2 3.31Å; D177-Y181 PolarHBondContact O-N 3.33Å; Y181-W183 VanDerWaalsContact C-N 3.3Å; Y181-W183 PolarHBondContact O-N 2.94Å; Y181-S184 PolarHBondContact O-N 2.98Å; Y181-V185 VanDerWaalsContact O-CB 3.28Å; Y181-V185 WeakPolarHBondContact O-CB 3.38Å; Y181-V185 VanDerWaalsContact O-CG2 3.23Å; Y181-V185 WeakPolarHBondContact O-CG2 3.49Å; Y181-V185 PolarHBondContact O-N 3.5Å; Y181-T260 HydrophobicContact CE2-CG2 4.1Å |
| 182 | S | 93.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -39 | 175.7 | 68.5 | 0 | 0 | 0 | 0 | 111 | L146 Y178 V179 V180 F186 | L146-S182 VanDerWaalsContact CD2-O 3.32Å; L146-S182 WeakPolarHBondContact CD2-O 3.33Å; Y178-S182 WeakPolarHBondContact O-CA 3.35Å; Y178-S182 WeakPolarHBondContact O-CB 3.24Å; Y178-S182 PolarHBondContact O-N 3.15Å; Y178-S182 PolarHBondContact O-OG 3.11Å; V179-S182 PolarHBondContact O-OG 3.33Å; V180-S182 PolarHBondContact O-N 3.25Å; S182-F186 WeakPolarHBondContact O-CB 3.33Å; S182-F186 WeakPolarHBondContact O-CD2 3.36Å; S182-F186 PolarHBondContact O-N 2.83Å |
| 183 | W | 91.9 | Very high | 91.3 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -61.2 | -55.7 | 172.1 | -171.7 | -94.3 | 0 | 0 | 0 | 112.3 | W97 V101 L146 V179 V180 Y181 V185 A187 | W97-W183 HydrophobicContact CD2-CH2 4.42Å; W97-W183 AromaticContact CE3-CH2 3.42Å; W97-W183 HydrophobicContact CE3-CH2 3.42Å; W97-W183 VanDerWaalsContact CE3-CH2 3.42Å; W97-W183 AromaticContact CE3-CZ2 3.61Å; W97-W183 HydrophobicContact CE3-CZ2 3.61Å; W97-W183 HydrophobicContact CE3-CZ3 4.31Å; W97-W183 AromaticContact CZ3-CH2 3.84Å; W97-W183 HydrophobicContact CZ3-CH2 3.84Å; W97-W183 AromaticContact CZ3-CZ2 3.48Å; W97-W183 HydrophobicContact CZ3-CZ2 3.48Å; W97-W183 VanDerWaalsContact CZ3-CZ2 3.48Å; V101-W183 HydrophobicContact CG2-CH2 3.76Å; V101-W183 HydrophobicContact CG2-CZ3 3.48Å; V101-W183 VanDerWaalsContact CG2-CZ3 3.48Å; L146-W183 HydrophobicContact CD2-CE3 4.14Å; V179-W183 VanDerWaalsContact O-CB 3.27Å; V179-W183 WeakPolarHBondContact O-CB 3.34Å; V179-W183 PolarHBondContact O-N 2.97Å; V180-W183 WeakPolarHBondContact O-CB 3.31Å; V180-W183 PolarHBondContact O-N 3.34Å; Y181-W183 VanDerWaalsContact C-N 3.3Å; Y181-W183 PolarHBondContact O-N 2.94Å; W183-V185 VanDerWaalsContact C-N 3.28Å; W183-V185 PolarHBondContact O-N 3.22Å; W183-A187 HydrophobicContact CD2-CB 3.85Å; W183-A187 HydrophobicContact CE3-CB 4.21Å; W183-A187 HydrophobicContact CG-CB 4.19Å; W183-A187 HydrophobicContact CH2-CB 4.49Å; W183-A187 HydrophobicContact CZ2-CB 4.19Å; W183-A187 WeakPolarHBondContact O-CA 3.12Å; W183-A187 WeakPolarHBondContact O-CB 3.45Å; W183-A187 PolarHBondContact O-N 3.4Å |
| 184 | S | 92.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -56.5 | -42.4 | 179.7 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | V180 Y181 Y188 F189 | V180-S184 PolarHBondContact O-N 3.42Å; V180-S184 PolarHBondContact O-OG 3.36Å; Y181-S184 PolarHBondContact O-N 2.98Å; S184-Y188 WeakPolarHBondContact O-CB 3.34Å; S184-Y188 PolarHBondContact O-N 2.95Å; S184-F189 WeakPolarHBondContact O-CD2 3.46Å; S184-F189 PolarHBondContact O-N 2.56Å |
| 185 | V | 94.4 | Very high | 92.3 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 35% | 0.345 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -74.8 | -56 | -178 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | Y181 W183 F189 I190 | Y181-V185 VanDerWaalsContact O-CB 3.28Å; Y181-V185 WeakPolarHBondContact O-CB 3.38Å; Y181-V185 VanDerWaalsContact O-CG2 3.23Å; Y181-V185 WeakPolarHBondContact O-CG2 3.49Å; Y181-V185 PolarHBondContact O-N 3.5Å; W183-V185 VanDerWaalsContact C-N 3.28Å; W183-V185 PolarHBondContact O-N 3.22Å; V185-F189 PolarHBondContact O-N 3.19Å; V185-I190 HydrophobicContact CG1-CD1 3.6Å; V185-I190 HydrophobicContact CG1-CG1 4.01Å; V185-I190 WeakPolarHBondContact O-CB 3.44Å; V185-I190 PolarHBondContact O-N 3.29Å |
| 186 | F | 95.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -88.8 | -23.8 | -169.9 | -67.3 | -80.4 | 0 | 0 | 0 | 114.1 | Q105 M142 I145 L146 S182 I190 P191 | Q105-F186 PolarHBondContact NE2-O 3.46Å; M142-F186 HydrophobicContact CE-CD1 4.03Å; M142-F186 HydrophobicContact SD-CB 4.26Å; M142-F186 HydrophobicContact SD-CD1 4.24Å; I145-F186 HydrophobicContact CG2-CD2 3.89Å; I145-F186 HydrophobicContact CG2-CE2 4.27Å; I145-F186 HydrophobicContact CG2-CG 4.26Å; L146-F186 HydrophobicContact CD1-CB 4.11Å; L146-F186 HydrophobicContact CD2-CB 3.89Å; L146-F186 HydrophobicContact CG-CB 4.15Å; S182-F186 WeakPolarHBondContact O-CB 3.33Å; S182-F186 WeakPolarHBondContact O-CD2 3.36Å; S182-F186 PolarHBondContact O-N 2.83Å; F186-I190 HydrophobicContact CD1-CD1 3.66Å; F186-I190 HydrophobicContact CE1-CD1 3.68Å; F186-I190 HydrophobicContact CG-CD1 4.38Å; F186-I190 HydrophobicContact CZ-CD1 4.42Å; F186-P191 WeakPolarHBondContact O-CD 3.18Å; F186-P191 WeakPolarHBondContact O-CG 3.23Å |
| 187 | A | 94 | Very high | 93.2 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -93.7 | -19.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L146 W183 | L146-A187 HydrophobicContact CD1-CB 4.03Å; L146-A187 HydrophobicContact CD2-CB 4.19Å; W183-A187 HydrophobicContact CD2-CB 3.85Å; W183-A187 HydrophobicContact CE3-CB 4.21Å; W183-A187 HydrophobicContact CG-CB 4.19Å; W183-A187 HydrophobicContact CH2-CB 4.49Å; W183-A187 HydrophobicContact CZ2-CB 4.19Å; W183-A187 WeakPolarHBondContact O-CA 3.12Å; W183-A187 WeakPolarHBondContact O-CB 3.45Å; W183-A187 PolarHBondContact O-N 3.4Å |
| 188 | Y | 95.2 | Very high | 93.5 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -124 | -69.7 | -178.5 | -172.2 | -105.1 | 0 | 0 | 0 | 114.3 | S184 I190 P191 L192 A246 H249 S250 C253 | S184-Y188 WeakPolarHBondContact O-CB 3.34Å; S184-Y188 PolarHBondContact O-N 2.95Å; Y188-I190 PolarHBondContact O-N 2.98Å; Y188-P191 WeakPolarHBondContact O-CD 3.49Å; Y188-L192 HydrophobicContact CE1-CD2 4.17Å; Y188-L192 WeakPolarHBondContact O-CB 3.39Å; Y188-L192 PolarHBondContact O-N 3.34Å; Y188-A246 VanDerWaalsContact CE2-O 3.32Å; Y188-A246 WeakPolarHBondContact CE2-O 3.4Å; Y188-A246 PolarHBondContact OH-O 2.84Å; Y188-H249 HydrophobicContact CD2-CB 3.96Å; Y188-H249 HydrophobicContact CE2-CB 4.23Å; Y188-S250 VanDerWaalsContact OH-CB 3.24Å; Y188-S250 WeakPolarHBondContact OH-CB 3.35Å; Y188-C253 HydrophobicContact CD1-CB 3.85Å; Y188-C253 VanDerWaalsContact CD1-SG 3.58Å; Y188-C253 HydrophobicContact CD2-CB 4.27Å; Y188-C253 HydrophobicContact CE1-CB 4.35Å; Y188-C253 HydrophobicContact CG-CB 3.81Å |
| 189 | F | 95.1 | Very high | 93.6 | Very high | 102 Ų | 102 | 45 Ų | 45 | 45% | 0.447 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -63.7 | -47.8 | -169.3 | -73 | -64.5 | 0 | 0 | 0 | 114 | S184 V185 L192 L193 I257 | S184-F189 WeakPolarHBondContact O-CD2 3.46Å; S184-F189 PolarHBondContact O-N 2.56Å; V185-F189 PolarHBondContact O-N 3.19Å; F189-L192 PolarHBondContact O-N 2.84Å; F189-L193 WeakPolarHBondContact O-CB 3.44Å; F189-L193 PolarHBondContact O-N 3.43Å; F189-I257 HydrophobicContact CE2-CD1 4.39Å; F189-I257 HydrophobicContact CZ-CD1 4.46Å |
| 190 | I | 94.9 | Very high | 93.7 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 28% | 0.282 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.5 | -51 | 178.2 | -71.3 | 175.2 | 0 | 0 | 0 | 110.7 | V185 F186 Y188 L192 L193 I194 | V185-I190 HydrophobicContact CG1-CD1 3.6Å; V185-I190 HydrophobicContact CG1-CG1 4.01Å; V185-I190 WeakPolarHBondContact O-CB 3.44Å; V185-I190 PolarHBondContact O-N 3.29Å; F186-I190 HydrophobicContact CD1-CD1 3.66Å; F186-I190 HydrophobicContact CE1-CD1 3.68Å; F186-I190 HydrophobicContact CG-CD1 4.38Å; F186-I190 HydrophobicContact CZ-CD1 4.42Å; Y188-I190 PolarHBondContact O-N 2.98Å; I190-L192 VanDerWaalsContact C-N 3.31Å; I190-L192 PolarHBondContact O-N 3.41Å; I190-L193 PolarHBondContact O-N 2.9Å; I190-I194 HydrophobicContact CG2-CD1 3.59Å; I190-I194 HydrophobicContact CG2-CG1 4.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.2Å; I190-I194 PolarHBondContact O-N 3.09Å |
| 191 | P | 96 | Very high | 93.8 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -51.9 | -48 | 172.8 | -32.4 | 38.2 | 0 | 0 | 0 | 113.1 | V104 V108 F186 Y188 L193 I194 M195 | V104-P191 HydrophobicContact CG1-CB 4.19Å; V104-P191 HydrophobicContact CG1-CG 4.12Å; V108-P191 HydrophobicContact CG2-CB 3.56Å; V108-P191 HydrophobicContact CG2-CG 4.02Å; F186-P191 WeakPolarHBondContact O-CD 3.18Å; F186-P191 WeakPolarHBondContact O-CG 3.23Å; Y188-P191 WeakPolarHBondContact O-CD 3.49Å; P191-L193 PolarHBondContact O-N 3.22Å; P191-I194 PolarHBondContact O-N 2.89Å; P191-M195 HydrophobicContact CB-CE 4.15Å; P191-M195 WeakPolarHBondContact O-CB 3.44Å; P191-M195 WeakPolarHBondContact O-CE 3.37Å; P191-M195 WeakPolarHBondContact O-CG 2.87Å; P191-M195 PolarHBondContact O-N 3.45Å |
| 192 | L | 95.3 | Very high | 93.7 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 178.6 | 176.4 | 60.3 | 0 | 0 | 0 | 111.5 | Y188 F189 I190 M195 L196 A246 | Y188-L192 HydrophobicContact CE1-CD2 4.17Å; Y188-L192 WeakPolarHBondContact O-CB 3.39Å; Y188-L192 PolarHBondContact O-N 3.34Å; F189-L192 PolarHBondContact O-N 2.84Å; I190-L192 VanDerWaalsContact C-N 3.31Å; I190-L192 PolarHBondContact O-N 3.41Å; L192-M195 PolarHBondContact O-N 2.99Å; L192-L196 VanDerWaalsContact O-CB 3.25Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 PolarHBondContact O-N 3.39Å; L192-A246 HydrophobicContact CD1-CB 3.63Å |
| 193 | L | 95.6 | Very high | 93.4 | Very high | 110 Ų | 110 | 51 Ų | 51 | 58% | 0.576 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.2 | -46.9 | 180 | -177 | 67.7 | 0 | 0 | 0 | 111.4 | F189 I190 P191 L196 T197 | F189-L193 WeakPolarHBondContact O-CB 3.44Å; F189-L193 PolarHBondContact O-N 3.43Å; I190-L193 PolarHBondContact O-N 2.9Å; P191-L193 PolarHBondContact O-N 3.22Å; L193-L196 PolarHBondContact O-N 2.95Å; L193-T197 HydrophobicContact CD1-CG2 4.06Å; L193-T197 HydrophobicContact CG-CG2 4.4Å; L193-T197 WeakPolarHBondContact O-CB 3.41Å; L193-T197 VanDerWaalsContact O-CG2 3.24Å; L193-T197 WeakPolarHBondContact O-CG2 3.44Å; L193-T197 PolarHBondContact O-N 2.73Å; L193-T197 PolarHBondContact O-OG1 2.98Å |
| 194 | I | 95.4 | Very high | 93.2 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 179.1 | -66.9 | 170.9 | 0 | 0 | 0 | 110.1 | V108 L112 I190 P191 T197 S198 | V108-I194 HydrophobicContact CG1-CB 4.16Å; V108-I194 HydrophobicContact CG1-CD1 3.93Å; V108-I194 HydrophobicContact CG1-CG2 3.73Å; L112-I194 HydrophobicContact CD1-CG2 4.27Å; L112-I194 HydrophobicContact CD2-CG2 3.71Å; L112-I194 HydrophobicContact CG-CG2 3.89Å; I190-I194 HydrophobicContact CG2-CD1 3.59Å; I190-I194 HydrophobicContact CG2-CG1 4.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.2Å; I190-I194 PolarHBondContact O-N 3.09Å; P191-I194 PolarHBondContact O-N 2.89Å; I194-T197 PolarHBondContact O-OG1 2.88Å; I194-T197 VanDerWaalsContact O-OG1 3.12Å; I194-S198 WeakPolarHBondContact O-CB 3.42Å; I194-S198 PolarHBondContact O-N 3.37Å; I194-S198 PolarHBondContact O-OG 2.98Å |
| 195 | M | 93.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 179.5 | -68.6 | -175 | -63.2 | 0 | 0 | 111.5 | L107 P191 L192 S198 H199 S242 | L107-M195 HydrophobicContact CD2-SD 3.98Å; L107-M195 HydrophobicContact CG-SD 3.92Å; P191-M195 HydrophobicContact CB-CE 4.15Å; P191-M195 WeakPolarHBondContact O-CB 3.44Å; P191-M195 WeakPolarHBondContact O-CE 3.37Å; P191-M195 WeakPolarHBondContact O-CG 2.87Å; P191-M195 PolarHBondContact O-N 3.45Å; L192-M195 PolarHBondContact O-N 2.99Å; M195-S198 WeakPolarHBondContact CA-OG 3.02Å; M195-S198 PolarHBondContact O-OG 3.11Å; M195-H199 PolarHBondContact O-N 2.99Å; M195-H199 VanDerWaalsContact O-N 3.11Å; M195-H199 PolarHBondContact O-ND1 2.85Å; M195-S242 WeakPolarHBondContact SD-CB 3.14Å; M195-S242 PolarHBondContact SD-OG 3.42Å; M195-S242 VanDerWaalsContact SD-OG 3.34Å |
| 196 | L | 93.2 | Very high | 92.3 | Very high | 117 Ų | 117 | 55.5 Ų | 55.5 | 61% | 0.613 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66 | -49.3 | -179.9 | -175.5 | 66.8 | 0 | 0 | 0 | 111.2 | L192 L193 S198 H199 A200 | L192-L196 VanDerWaalsContact O-CB 3.25Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 PolarHBondContact O-N 3.39Å; L193-L196 PolarHBondContact O-N 2.95Å; L196-S198 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 2.88Å; L196-H199 PolarHBondContact O-N 3.47Å; L196-A200 VanDerWaalsContact O-CB 3.31Å; L196-A200 WeakPolarHBondContact O-CB 3.3Å; L196-A200 PolarHBondContact O-N 2.96Å |
| 197 | T | 94.3 | Very high | 91.7 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 47% | 0.466 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | L193 I194 W201 | L193-T197 HydrophobicContact CD1-CG2 4.06Å; L193-T197 HydrophobicContact CG-CG2 4.4Å; L193-T197 WeakPolarHBondContact O-CB 3.41Å; L193-T197 VanDerWaalsContact O-CG2 3.24Å; L193-T197 WeakPolarHBondContact O-CG2 3.44Å; L193-T197 PolarHBondContact O-N 2.73Å; L193-T197 PolarHBondContact O-OG1 2.98Å; I194-T197 PolarHBondContact O-OG1 2.88Å; I194-T197 VanDerWaalsContact O-OG1 3.12Å; T197-W201 VanDerWaalsContact O-CB 3.3Å; T197-W201 WeakPolarHBondContact O-CB 3.43Å; T197-W201 PolarHBondContact O-N 3.4Å |
| 198 | S | 93 | Very high | 91.1 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.4 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | S111 V115 I194 M195 L196 W201 I202 | S111-S198 WeakPolarHBondContact CB-OG 3.09Å; V115-S198 VanDerWaalsContact CG2-CB 3.42Å; I194-S198 WeakPolarHBondContact O-CB 3.42Å; I194-S198 PolarHBondContact O-N 3.37Å; I194-S198 PolarHBondContact O-OG 2.98Å; M195-S198 WeakPolarHBondContact CA-OG 3.02Å; M195-S198 PolarHBondContact O-OG 3.11Å; L196-S198 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 2.88Å; S198-W201 PolarHBondContact O-N 3.23Å; S198-I202 WeakPolarHBondContact O-CD1 3.44Å; S198-I202 WeakPolarHBondContact O-CG1 3.34Å; S198-I202 PolarHBondContact O-N 3.38Å |
| 199 | H | 91.7 | Very high | 89.9 | Confident | 18 Ų | 18 | 74.1 Ų | 74.1 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72 | -39 | -178.9 | -69.7 | 97.1 | 0 | 0 | 0 | 111.7 | S111 M195 L196 W201 I202 I203 T238 A239 S242 | S111-H199 PolarHBondContact OG-CE1 2.98Å; M195-H199 PolarHBondContact O-N 2.99Å; M195-H199 VanDerWaalsContact O-N 3.11Å; M195-H199 PolarHBondContact O-ND1 2.85Å; L196-H199 PolarHBondContact O-N 3.47Å; H199-W201 VanDerWaalsContact C-N 3.32Å; H199-W201 PolarHBondContact O-N 3.26Å; H199-I202 PolarHBondContact O-N 2.86Å; H199-I203 VanDerWaalsContact O-CG1 3.25Å; H199-I203 WeakPolarHBondContact O-CG1 3.29Å; H199-I203 PolarHBondContact O-N 2.9Å; H199-T238 PolarHBondContact NE2-OG1 3.41Å; H199-T238 VanDerWaalsContact NE2-OG1 3.12Å; H199-A239 VanDerWaalsContact CD2-CB 3.5Å; H199-A239 WeakPolarHBondContact CD2-CB 3.48Å; H199-A239 WeakPolarHBondContact NE2-CA 3.34Å; H199-A239 PolarHBondContact NE2-N 3.1Å; H199-A239 VanDerWaalsContact NE2-N 3.19Å; H199-S242 PolarHBondContact CE1-OG 3.18Å |
| 200 | A | 91.1 | Very high | 88.3 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L196 I203 H204 | L196-A200 VanDerWaalsContact O-CB 3.31Å; L196-A200 WeakPolarHBondContact O-CB 3.3Å; L196-A200 PolarHBondContact O-N 2.96Å; A200-I203 PolarHBondContact O-N 3.37Å; A200-H204 WeakPolarHBondContact O-CB 3.36Å; A200-H204 PolarHBondContact O-N 3.42Å |
| 201 | W | 91.9 | Very high | 86 | Confident | 151 Ų | 151 | 76.4 Ų | 76.4 | 57% | 0.572 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 177 | -169.5 | 0.5 | 0 | 0 | 0 | 111.8 | V115 I119 T197 S198 H199 I203 H204 A205 | V115-W201 HydrophobicContact CG1-CE3 4.22Å; I119-W201 HydrophobicContact CD1-CD2 4.46Å; I119-W201 HydrophobicContact CD1-CH2 4.1Å; I119-W201 HydrophobicContact CD1-CZ2 3.69Å; T197-W201 VanDerWaalsContact O-CB 3.3Å; T197-W201 WeakPolarHBondContact O-CB 3.43Å; T197-W201 PolarHBondContact O-N 3.4Å; S198-W201 PolarHBondContact O-N 3.23Å; H199-W201 VanDerWaalsContact C-N 3.32Å; H199-W201 PolarHBondContact O-N 3.26Å; W201-I203 VanDerWaalsContact C-N 3.33Å; W201-I203 PolarHBondContact O-N 3.19Å; W201-H204 WeakPolarHBondContact O-CB 3.31Å; W201-H204 PolarHBondContact O-N 3.36Å; W201-A205 WeakPolarHBondContact O-CB 3.48Å; W201-A205 PolarHBondContact O-N 2.59Å |
| 202 | I | 89.8 | Confident | 83.7 | Confident | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.01 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 176.1 | -69.8 | 159.6 | 0 | 0 | 0 | 111 | R114 V115 V118 S198 H199 H204 A205 I206 V235 | R114-I202 HydrophobicContact CB-CD1 3.69Å; V115-I202 HydrophobicContact CB-CG1 4.47Å; V115-I202 HydrophobicContact CG2-CD1 3.78Å; V115-I202 HydrophobicContact CG2-CG1 3.84Å; V118-I202 HydrophobicContact CG2-CG1 4.41Å; V118-I202 HydrophobicContact CG2-CG2 4Å; S198-I202 WeakPolarHBondContact O-CD1 3.44Å; S198-I202 WeakPolarHBondContact O-CG1 3.34Å; S198-I202 PolarHBondContact O-N 3.38Å; H199-I202 PolarHBondContact O-N 2.86Å; I202-H204 VanDerWaalsContact C-N 3.31Å; I202-H204 PolarHBondContact O-N 3.07Å; I202-A205 PolarHBondContact O-N 2.94Å; I202-I206 HydrophobicContact CG2-CD1 3.54Å; I202-I206 HydrophobicContact CG2-CG1 4.23Å; I202-I206 WeakPolarHBondContact O-CB 3.49Å; I202-I206 VanDerWaalsContact O-CG1 3.27Å; I202-I206 WeakPolarHBondContact O-CG1 3.39Å; I202-I206 PolarHBondContact O-N 3.35Å; I202-V235 HydrophobicContact CB-CG1 4.45Å; I202-V235 HydrophobicContact CD1-CG1 4.38Å; I202-V235 HydrophobicContact CD1-CG2 4.37Å; I202-V235 HydrophobicContact CG2-CB 4.4Å; I202-V235 HydrophobicContact CG2-CG1 3.61Å; I202-V235 HydrophobicContact CG2-CG2 3.9Å |
| 203 | I | 87.3 | Confident | 81.2 | Confident | 87 Ų | 87 | 86.5 Ų | 86.5 | 45% | 0.446 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 178.1 | -68.9 | 165 | 0 | 0 | 0 | 110.2 | H199 A200 W201 I206 R207 | H199-I203 VanDerWaalsContact O-CG1 3.25Å; H199-I203 WeakPolarHBondContact O-CG1 3.29Å; H199-I203 PolarHBondContact O-N 2.9Å; A200-I203 PolarHBondContact O-N 3.37Å; W201-I203 VanDerWaalsContact C-N 3.33Å; W201-I203 PolarHBondContact O-N 3.19Å; I203-I206 PolarHBondContact O-N 3.42Å; I203-R207 WeakPolarHBondContact O-CG 3.42Å; I203-R207 PolarHBondContact O-N 2.92Å |
| 204 | H | 87.4 | Confident | 78.9 | Confident | 118 Ų | 118 | 89.6 Ų | 89.6 | 55% | 0.546 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.8 | -176.2 | 80.1 | 0 | 0 | 0 | 112.2 | A200 W201 I202 I206 R207 R208 | A200-H204 WeakPolarHBondContact O-CB 3.36Å; A200-H204 PolarHBondContact O-N 3.42Å; W201-H204 WeakPolarHBondContact O-CB 3.31Å; W201-H204 PolarHBondContact O-N 3.36Å; I202-H204 VanDerWaalsContact C-N 3.31Å; I202-H204 PolarHBondContact O-N 3.07Å; H204-I206 PolarHBondContact O-N 3.02Å; H204-R207 PolarHBondContact O-N 2.76Å; H204-R208 PolarHBondContact O-N 3.19Å; H204-R208 VanDerWaalsContact O-N 3.09Å |
| 205 | A | 85.8 | Confident | 76.3 | Confident | 19 Ų | 19 | 94.6 Ų | 94.6 | 16% | 0.157 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V118 W201 I202 R208 T209 | V118-A205 HydrophobicContact CG1-CB 4Å; W201-A205 WeakPolarHBondContact O-CB 3.48Å; W201-A205 PolarHBondContact O-N 2.59Å; I202-A205 PolarHBondContact O-N 2.94Å; A205-R208 PolarHBondContact O-N 3.06Å; A205-T209 PolarHBondContact O-N 3.44Å; A205-T209 PolarHBondContact O-OG1 3.37Å |
| 206 | I | 82.8 | Confident | 74.1 | Confident | 38 Ų | 38 | 101.4 Ų | 101.4 | 20% | 0.195 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.7 | -69.4 | 168.1 | 0 | 0 | 0 | 110.7 | I202 I203 H204 R208 T209 H210 I232 | I202-I206 HydrophobicContact CG2-CD1 3.54Å; I202-I206 HydrophobicContact CG2-CG1 4.23Å; I202-I206 WeakPolarHBondContact O-CB 3.49Å; I202-I206 VanDerWaalsContact O-CG1 3.27Å; I202-I206 WeakPolarHBondContact O-CG1 3.39Å; I202-I206 PolarHBondContact O-N 3.35Å; I203-I206 PolarHBondContact O-N 3.42Å; H204-I206 PolarHBondContact O-N 3.02Å; I206-R208 VanDerWaalsContact C-N 3.33Å; I206-R208 PolarHBondContact O-N 3.48Å; I206-T209 PolarHBondContact O-N 3.48Å; I206-H210 PolarHBondContact O-CD2 2.96Å; I206-H210 PolarHBondContact O-N 3.31Å; I206-I232 HydrophobicContact CD1-CG1 4.25Å |
| 207 | R | 82.9 | Confident | 72.1 | Confident | 192 Ų | 192 | 101.3 Ų | 101.3 | 73% | 0.725 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 178 | -76 | 179.6 | 179.9 | -173.8 | 1.2 | 112.2 | I203 H204 H210 | I203-R207 WeakPolarHBondContact O-CG 3.42Å; I203-R207 PolarHBondContact O-N 2.92Å; H204-R207 PolarHBondContact O-N 2.76Å; R207-H210 PolarHBondContact O-N 3.06Å |
| 208 | R | 79.6 | Confident | 70.3 | Confident | 200 Ų | 200 | 103.9 Ų | 103.9 | 76% | 0.755 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.1 | -39.7 | 178.6 | -167.5 | 175 | 179.5 | 177.6 | -0.5 | 112.6 | H204 A205 I206 H210 S211 | H204-R208 PolarHBondContact O-N 3.19Å; H204-R208 VanDerWaalsContact O-N 3.09Å; A205-R208 PolarHBondContact O-N 3.06Å; I206-R208 VanDerWaalsContact C-N 3.33Å; I206-R208 PolarHBondContact O-N 3.48Å; R208-H210 PolarHBondContact O-N 3.39Å; R208-S211 PolarHBondContact O-N 3.31Å |
| 209 | T | 70.9 | Confident | 68.5 | Low | 107 Ų | 107 | 112.3 Ų | 112.3 | 66% | 0.656 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73.4 | -13.8 | 179.6 | -47.4 | 0 | 0 | 0 | 0 | 113.3 | A205 I206 S211 | A205-T209 PolarHBondContact O-N 3.44Å; A205-T209 PolarHBondContact O-OG1 3.37Å; I206-T209 PolarHBondContact O-N 3.48Å; T209-S211 PolarHBondContact O-N 3.17Å |
| 210 | H | 62.3 | Low | 67.2 | Low | 115 Ų | 115 | 115.6 Ų | 115.6 | 53% | 0.532 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | 1.8 | 174.4 | -93.5 | -81.1 | 0 | 0 | 0 | 114 | I206 R207 R208 K228 | I206-H210 PolarHBondContact O-CD2 2.96Å; I206-H210 PolarHBondContact O-N 3.31Å; R207-H210 PolarHBondContact O-N 3.06Å; R208-H210 PolarHBondContact O-N 3.39Å; H210-K228 PolarHBondContact CD2-NZ 3.45Å; H210-K228 PolarHBondContact CE1-NZ 3.1Å; H210-K228 VanDerWaalsContact CE1-NZ 3.33Å; H210-K228 PolarHBondContact NE2-NZ 2.87Å |
| 211 | S | 46.4 | Very low | 66.3 | Low | 91 Ų | 91 | 116.7 Ų | 116.7 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -64.9 | 128.6 | 174.4 | -150.3 | 0 | 0 | 0 | 0 | 110.6 | R208 T209 N213 | R208-S211 PolarHBondContact O-N 3.31Å; T209-S211 PolarHBondContact O-N 3.17Å; S211-N213 PolarHBondContact O-N 3.01Å |
| 212 | P | 47.6 | Very low | 65.6 | Low | 116 Ų | 116 | 114.6 Ų | 114.6 | 75% | 0.753 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -76.5 | 18.4 | -156.4 | 29.1 | -35.6 | 0 | 0 | 0 | 116.9 | H214 | P212-H214 PolarHBondContact O-N 3.34Š|
| 213 | N | 43.3 | Very low | 64.9 | Low | 151 Ų | 151 | 117 Ų | 117 | 81% | 0.807 | 60% | 0.601 | S | S | * | * | trans | -93.3 | 77 | 178 | -87.1 | -3.1 | 0 | 0 | 0 | 111.7 | S211 | S211-N213 PolarHBondContact O-N 3.01Š| ||
| 214 | H | 47.2 | Very low | 64.4 | Low | 174 Ų | 174 | 119.4 Ų | 119.4 | 81% | 0.806 | 61% | 0.608 | S | S | * | * | trans | -162 | 90.7 | 146.2 | -119.6 | -55.4 | 0 | 0 | 0 | 111.6 | P212 | P212-H214 PolarHBondContact O-N 3.34Š| ||
| 215 | N | 40.2 | Very low | 64.1 | Low | 147 Ų | 147 | 118 Ų | 118 | 79% | 0.786 | 61% | 0.605 | S | S | * | * | trans | -63 | 152.3 | 147.8 | -72.2 | -30.1 | 0 | 0 | 0 | 108.3 | ||||
| 216 | I | 47.4 | Very low | 63.9 | Low | 151 Ų | 151 | 124 Ų | 124 | 77% | 0.774 | 62% | 0.623 | S | S | * | * | trans | 115.8 | 117.6 | 166.3 | -56.7 | 158.1 | 0 | 0 | 0 | 115.4 | ||||
| 217 | L | 52.2 | Low | 63.7 | Low | 114 Ų | 114 | 126.7 Ų | 126.7 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | trans | 88.1 | 84.6 | 161.4 | -130.2 | 79.5 | 0 | 0 | 0 | 120 | E219 N220 V221 | L217-E219 PolarHBondContact O-N 2.88Å; L217-N220 PolarHBondContact O-N 3.28Å; L217-V221 VanDerWaalsContact O-CG2 3.28Å; L217-V221 WeakPolarHBondContact O-CG2 3.26Å; L217-V221 PolarHBondContact O-N 2.98Å | ||
| 218 | T | 55.7 | Low | 63.6 | Low | 130 Ų | 130 | 121 Ų | 121 | 80% | 0.798 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.1 | -33.3 | -173.2 | -21.3 | 0 | 0 | 0 | 0 | 116.1 | V221 | T218-V221 PolarHBondContact O-N 2.93Å |
| 219 | E | 56.1 | Low | 63.8 | Low | 182 Ų | 182 | 119.3 Ų | 119.3 | 85% | 0.85 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.5 | -34.1 | -178.4 | -78.1 | -171.1 | 147.2 | 0 | 0 | 113.4 | L217 V221 | L217-E219 PolarHBondContact O-N 2.88Å; E219-V221 VanDerWaalsContact C-N 3.29Å |
| 220 | N | 63.8 | Low | 64.4 | Low | 86 Ų | 86 | 120.7 Ų | 120.7 | 46% | 0.46 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -79.6 | -13.6 | 175.2 | -99.7 | -24.4 | 0 | 0 | 0 | 112.7 | L217 S223 K224 | L217-N220 PolarHBondContact O-N 3.28Å; N220-S223 PolarHBondContact O-OG 2.99Å; N220-K224 VanDerWaalsContact O-CB 3.22Å; N220-K224 WeakPolarHBondContact O-CB 3.39Å; N220-K224 WeakPolarHBondContact O-CD 3.32Å; N220-K224 WeakPolarHBondContact O-CG 2.92Å; N220-K224 PolarHBondContact O-N 3.48Å; N220-K224 VanDerWaalsContact O-N 3.16Å |
| 221 | V | 72 | Confident | 65.4 | Low | 80 Ų | 80 | 116.9 Ų | 116.9 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.7 | -44.8 | -178.5 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | L217 T218 E219 K224 L225 | L217-V221 VanDerWaalsContact O-CG2 3.28Å; L217-V221 WeakPolarHBondContact O-CG2 3.26Å; L217-V221 PolarHBondContact O-N 2.98Å; T218-V221 PolarHBondContact O-N 2.93Å; E219-V221 VanDerWaalsContact C-N 3.29Å; V221-K224 PolarHBondContact O-N 3.07Å; V221-L225 VanDerWaalsContact O-CB 3.23Å; V221-L225 WeakPolarHBondContact O-CB 3.43Å; V221-L225 PolarHBondContact O-N 2.79Å |
| 222 | E | 77.4 | Confident | 67.3 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 50% | 0.5 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.9 | -44.8 | -175.5 | -160.5 | -167.3 | 167 | 0 | 0 | 112 | L225 R226 | E222-L225 PolarHBondContact O-N 3.48Å; E222-R226 WeakPolarHBondContact O-CG 3.23Å; E222-R226 PolarHBondContact O-N 3.37Å; E222-R226 IonicContact OE1-CZ 3.72Å; E222-R226 VanDerWaalsContact OE1-CZ 3.25Å; E222-R226 IonicContact OE1-NE 2.65Å; E222-R226 PolarHBondContact OE1-NE 3.32Å; E222-R226 IonicContact OE1-NH2 3.25Å; E222-R226 PolarHBondContact OE1-NH2 3.23Å; E222-R226 IonicContact OE2-NH2 3.06Å |
| 223 | S | 75.8 | Confident | 69.3 | Low | 52 Ų | 52 | 112.2 Ų | 112.2 | 36% | 0.364 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -44.9 | 177.4 | 67 | 0 | 0 | 0 | 0 | 111.3 | N220 L225 R226 I227 | N220-S223 PolarHBondContact O-OG 2.99Å; S223-L225 PolarHBondContact O-N 3.04Å; S223-R226 PolarHBondContact O-N 2.91Å; S223-I227 VanDerWaalsContact O-CG1 3.29Å; S223-I227 WeakPolarHBondContact O-CG1 3.28Å; S223-I227 PolarHBondContact O-N 3.26Å |
| 224 | K | 76.5 | Confident | 71.5 | Confident | 137 Ų | 137 | 105.7 Ų | 105.7 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -41.3 | 174 | -75 | 177.1 | -179.1 | -177.8 | 0 | 112 | N220 V221 I227 K228 | N220-K224 VanDerWaalsContact O-CB 3.22Å; N220-K224 WeakPolarHBondContact O-CB 3.39Å; N220-K224 WeakPolarHBondContact O-CD 3.32Å; N220-K224 WeakPolarHBondContact O-CG 2.92Å; N220-K224 PolarHBondContact O-N 3.48Å; N220-K224 VanDerWaalsContact O-N 3.16Å; V221-K224 PolarHBondContact O-N 3.07Å; K224-I227 PolarHBondContact O-N 3.35Å; K224-K228 VanDerWaalsContact O-CB 3.3Å; K224-K228 WeakPolarHBondContact O-CB 3.31Å; K224-K228 PolarHBondContact O-N 3.32Å |
| 225 | L | 80.3 | Confident | 73.5 | Confident | 89 Ų | 89 | 97.9 Ų | 97.9 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 178 | -165.9 | 99.2 | 0 | 0 | 0 | 111.3 | V221 E222 S223 K228 R229 | V221-L225 VanDerWaalsContact O-CB 3.23Å; V221-L225 WeakPolarHBondContact O-CB 3.43Å; V221-L225 PolarHBondContact O-N 2.79Å; E222-L225 PolarHBondContact O-N 3.48Å; S223-L225 PolarHBondContact O-N 3.04Å; L225-K228 PolarHBondContact O-N 3.36Å; L225-R229 WeakPolarHBondContact O-CB 3.49Å; L225-R229 PolarHBondContact O-N 2.74Å |
| 226 | R | 81.1 | Confident | 75.9 | Confident | 146 Ų | 146 | 95.2 Ų | 95.2 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 175.3 | -72.3 | -179.3 | -168.4 | -168.7 | 7.2 | 111.3 | E222 S223 K230 | E222-R226 WeakPolarHBondContact O-CG 3.23Å; E222-R226 PolarHBondContact O-N 3.37Å; E222-R226 IonicContact OE1-CZ 3.72Å; E222-R226 VanDerWaalsContact OE1-CZ 3.25Å; E222-R226 IonicContact OE1-NE 2.65Å; E222-R226 PolarHBondContact OE1-NE 3.32Å; E222-R226 IonicContact OE1-NH2 3.25Å; E222-R226 PolarHBondContact OE1-NH2 3.23Å; E222-R226 IonicContact OE2-NH2 3.06Å; S223-R226 PolarHBondContact O-N 2.91Å; R226-K230 WeakPolarHBondContact O-CG 3.35Å; R226-K230 PolarHBondContact O-N 2.87Å |
| 227 | I | 78.6 | Confident | 78 | Confident | 94 Ų | 94 | 88 Ų | 88 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.2 | -48.7 | 175.6 | -68.1 | 165.6 | 0 | 0 | 0 | 110.4 | S223 K224 R229 K230 I231 | S223-I227 VanDerWaalsContact O-CG1 3.29Å; S223-I227 WeakPolarHBondContact O-CG1 3.28Å; S223-I227 PolarHBondContact O-N 3.26Å; K224-I227 PolarHBondContact O-N 3.35Å; I227-R229 VanDerWaalsContact C-N 3.34Å; I227-R229 PolarHBondContact O-N 3.35Å; I227-K230 WeakPolarHBondContact O-CB 3.35Å; I227-K230 PolarHBondContact O-N 3.23Å; I227-K230 VanDerWaalsContact O-N 3.16Å; I227-I231 HydrophobicContact CG2-CD1 3.91Å; I227-I231 HydrophobicContact CG2-CG1 4.48Å; I227-I231 WeakPolarHBondContact O-CG1 3.15Å; I227-I231 PolarHBondContact O-N 3.31Å |
| 228 | K | 80.8 | Confident | 80 | Confident | 73 Ų | 73 | 82.6 Ų | 82.6 | 32% | 0.317 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 177.9 | -175.8 | 176 | 176.4 | -180 | 0 | 111.7 | H210 K224 L225 K230 I231 I232 | H210-K228 PolarHBondContact CD2-NZ 3.45Å; H210-K228 PolarHBondContact CE1-NZ 3.1Å; H210-K228 VanDerWaalsContact CE1-NZ 3.33Å; H210-K228 PolarHBondContact NE2-NZ 2.87Å; K224-K228 VanDerWaalsContact O-CB 3.3Å; K224-K228 WeakPolarHBondContact O-CB 3.31Å; K224-K228 PolarHBondContact O-N 3.32Å; L225-K228 PolarHBondContact O-N 3.36Å; K228-K230 PolarHBondContact O-N 3.38Å; K228-I231 PolarHBondContact O-N 3.2Å; K228-I232 HydrophobicContact CG-CD1 3.92Å; K228-I232 WeakPolarHBondContact O-CG1 3.26Å; K228-I232 PolarHBondContact O-N 3.32Å |
| 229 | R | 83.7 | Confident | 81.8 | Confident | 164 Ų | 164 | 78 Ų | 78 | 62% | 0.619 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61 | -42.6 | 176.5 | -170.1 | -177 | -66.9 | 167.8 | -0.9 | 111.7 | L225 I227 I232 Q233 | L225-R229 WeakPolarHBondContact O-CB 3.49Å; L225-R229 PolarHBondContact O-N 2.74Å; I227-R229 VanDerWaalsContact C-N 3.34Å; I227-R229 PolarHBondContact O-N 3.35Å; R229-I232 PolarHBondContact O-N 3.04Å; R229-Q233 VanDerWaalsContact O-CB 3.28Å; R229-Q233 WeakPolarHBondContact O-CB 3.2Å; R229-Q233 PolarHBondContact O-N 3.1Å |
| 230 | K | 84.5 | Confident | 83.6 | Confident | 135 Ų | 135 | 72.9 Ų | 72.9 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 174.6 | -76.1 | -177.3 | 177.9 | -176.3 | 0 | 112.1 | R226 I227 K228 Q233 L234 | R226-K230 WeakPolarHBondContact O-CG 3.35Å; R226-K230 PolarHBondContact O-N 2.87Å; I227-K230 WeakPolarHBondContact O-CB 3.35Å; I227-K230 PolarHBondContact O-N 3.23Å; I227-K230 VanDerWaalsContact O-N 3.16Å; K228-K230 PolarHBondContact O-N 3.38Å; K230-Q233 PolarHBondContact O-N 2.8Å; K230-L234 VanDerWaalsContact O-CG 3.31Å; K230-L234 WeakPolarHBondContact O-CG 3.39Å; K230-L234 PolarHBondContact O-N 3.48Å |
| 231 | I | 83.5 | Confident | 85.1 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 19% | 0.185 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -51 | 177.2 | -67.5 | 169.4 | 0 | 0 | 0 | 110.1 | V118 I227 K228 Q233 L234 V235 | V118-I231 HydrophobicContact CG2-CG2 3.8Å; I227-I231 HydrophobicContact CG2-CD1 3.91Å; I227-I231 HydrophobicContact CG2-CG1 4.48Å; I227-I231 WeakPolarHBondContact O-CG1 3.15Å; I227-I231 PolarHBondContact O-N 3.31Å; K228-I231 PolarHBondContact O-N 3.2Å; I231-Q233 VanDerWaalsContact C-N 3.31Å; I231-Q233 PolarHBondContact O-N 3.33Å; I231-L234 PolarHBondContact O-N 3.4Å; I231-L234 VanDerWaalsContact O-N 3.13Å; I231-V235 HydrophobicContact CG2-CG2 4.31Å; I231-V235 VanDerWaalsContact O-CG2 3.31Å; I231-V235 WeakPolarHBondContact O-CG2 3.4Å; I231-V235 PolarHBondContact O-N 3.42Å |
| 232 | I | 84.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 178.6 | -69.2 | 169.7 | 0 | 0 | 0 | 110.9 | I206 K228 R229 L234 V235 I236 | I206-I232 HydrophobicContact CD1-CG1 4.25Å; K228-I232 HydrophobicContact CG-CD1 3.92Å; K228-I232 WeakPolarHBondContact O-CG1 3.26Å; K228-I232 PolarHBondContact O-N 3.32Å; R229-I232 PolarHBondContact O-N 3.04Å; I232-L234 VanDerWaalsContact C-N 3.35Å; I232-L234 PolarHBondContact O-N 2.97Å; I232-V235 WeakPolarHBondContact O-CB 3.46Å; I232-V235 PolarHBondContact O-N 2.67Å; I232-I236 HydrophobicContact CG2-CD1 3.84Å; I232-I236 HydrophobicContact CG2-CG1 4.45Å; I232-I236 WeakPolarHBondContact O-CG1 3.35Å; I232-I236 PolarHBondContact O-N 3.47Å |
| 233 | Q | 89.7 | Confident | 87 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 176.8 | 178.8 | 167.8 | 29.9 | 0 | 0 | 111.8 | R229 K230 I231 V235 I236 T237 S294 | R229-Q233 VanDerWaalsContact O-CB 3.28Å; R229-Q233 WeakPolarHBondContact O-CB 3.2Å; R229-Q233 PolarHBondContact O-N 3.1Å; K230-Q233 PolarHBondContact O-N 2.8Å; I231-Q233 VanDerWaalsContact C-N 3.31Å; I231-Q233 PolarHBondContact O-N 3.33Å; Q233-V235 VanDerWaalsContact C-N 3.34Å; Q233-V235 PolarHBondContact O-N 3.44Å; Q233-I236 PolarHBondContact O-N 3.43Å; Q233-T237 PolarHBondContact O-N 3.33Å; Q233-T237 PolarHBondContact O-OG1 2.96Å; Q233-S294 VanDerWaalsContact CG-O 3.3Å; Q233-S294 WeakPolarHBondContact CG-O 3.44Å; Q233-S294 PolarHBondContact NE2-O 3.43Å |
| 234 | L | 89.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 178.3 | -66.9 | 171.8 | 0 | 0 | 0 | 112.5 | F38 F47 K230 I231 I232 T237 T238 | F38-L234 HydrophobicContact CB-CD1 4.46Å; F38-L234 HydrophobicContact CD1-CD1 4.42Å; F38-L234 HydrophobicContact CD1-CD2 3.8Å; F38-L234 HydrophobicContact CE1-CD2 4.31Å; F47-L234 HydrophobicContact CE1-CD2 4.33Å; F47-L234 HydrophobicContact CE2-CD1 4.39Å; F47-L234 HydrophobicContact CE2-CD2 4.13Å; F47-L234 HydrophobicContact CZ-CB 4.32Å; F47-L234 HydrophobicContact CZ-CD2 3.82Å; K230-L234 VanDerWaalsContact O-CG 3.31Å; K230-L234 WeakPolarHBondContact O-CG 3.39Å; K230-L234 PolarHBondContact O-N 3.48Å; I231-L234 PolarHBondContact O-N 3.4Å; I231-L234 VanDerWaalsContact O-N 3.13Å; I232-L234 VanDerWaalsContact C-N 3.35Å; I232-L234 PolarHBondContact O-N 2.97Å; L234-T237 PolarHBondContact O-N 2.99Å; L234-T238 WeakPolarHBondContact O-CG2 3.42Å; L234-T238 PolarHBondContact O-N 3.47Å; L234-T238 PolarHBondContact O-OG1 3.43Å |
| 235 | V | 89.5 | Confident | 88.8 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 173.3 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | R114 I202 I231 I232 Q233 T238 A239 | R114-V235 HydrophobicContact CB-CG2 4.2Å; R114-V235 HydrophobicContact CG-CG2 4.37Å; I202-V235 HydrophobicContact CB-CG1 4.45Å; I202-V235 HydrophobicContact CD1-CG1 4.38Å; I202-V235 HydrophobicContact CD1-CG2 4.37Å; I202-V235 HydrophobicContact CG2-CB 4.4Å; I202-V235 HydrophobicContact CG2-CG1 3.61Å; I202-V235 HydrophobicContact CG2-CG2 3.9Å; I231-V235 HydrophobicContact CG2-CG2 4.31Å; I231-V235 VanDerWaalsContact O-CG2 3.31Å; I231-V235 WeakPolarHBondContact O-CG2 3.4Å; I231-V235 PolarHBondContact O-N 3.42Å; I232-V235 WeakPolarHBondContact O-CB 3.46Å; I232-V235 PolarHBondContact O-N 2.67Å; Q233-V235 VanDerWaalsContact C-N 3.34Å; Q233-V235 PolarHBondContact O-N 3.44Å; V235-T238 PolarHBondContact O-N 3.02Å; V235-T238 PolarHBondContact O-OG1 3.07Å; V235-A239 VanDerWaalsContact O-CB 3.29Å; V235-A239 WeakPolarHBondContact O-CB 3.48Å; V235-A239 PolarHBondContact O-N 3.33Å |
| 236 | I | 90.6 | Very high | 89.5 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 46% | 0.462 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 176.9 | -67.9 | 166.9 | 0 | 0 | 0 | 109.8 | I232 Q233 T238 A239 I240 | I232-I236 HydrophobicContact CG2-CD1 3.84Å; I232-I236 HydrophobicContact CG2-CG1 4.45Å; I232-I236 WeakPolarHBondContact O-CG1 3.35Å; I232-I236 PolarHBondContact O-N 3.47Å; Q233-I236 PolarHBondContact O-N 3.43Å; I236-T238 PolarHBondContact O-N 3.34Å; I236-A239 PolarHBondContact O-N 3.37Å; I236-I240 HydrophobicContact CG2-CD1 3.79Å; I236-I240 HydrophobicContact CG2-CG1 4.42Å; I236-I240 VanDerWaalsContact O-CG1 3.3Å; I236-I240 WeakPolarHBondContact O-CG1 3.05Å; I236-I240 PolarHBondContact O-N 3.19Å |
| 237 | T | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.6 | -50 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | Q233 L234 A239 I240 M241 I290 L291 S294 | Q233-T237 PolarHBondContact O-N 3.33Å; Q233-T237 PolarHBondContact O-OG1 2.96Å; L234-T237 PolarHBondContact O-N 2.99Å; T237-A239 VanDerWaalsContact C-N 3.31Å; T237-A239 PolarHBondContact O-N 2.93Å; T237-I240 PolarHBondContact O-N 3.2Å; T237-M241 HydrophobicContact CG2-SD 4.08Å; T237-M241 WeakPolarHBondContact O-CG 3.34Å; T237-M241 PolarHBondContact O-N 2.91Å; T237-I290 HydrophobicContact CG2-CG2 4.17Å; T237-L291 HydrophobicContact CG2-CD1 3.98Å; T237-S294 WeakPolarHBondContact OG1-CB 3.4Å |
| 238 | T | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -34.6 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 112 | F47 L110 R114 H199 L234 V235 I236 M241 S242 | F47-T238 HydrophobicContact CE1-CG2 4.26Å; F47-T238 HydrophobicContact CZ-CG2 3.92Å; L110-T238 HydrophobicContact CB-CG2 4.14Å; R114-T238 HydrophobicContact CG-CG2 3.87Å; H199-T238 PolarHBondContact NE2-OG1 3.41Å; H199-T238 VanDerWaalsContact NE2-OG1 3.12Å; L234-T238 WeakPolarHBondContact O-CG2 3.42Å; L234-T238 PolarHBondContact O-N 3.47Å; L234-T238 PolarHBondContact O-OG1 3.43Å; V235-T238 PolarHBondContact O-N 3.02Å; V235-T238 PolarHBondContact O-OG1 3.07Å; I236-T238 PolarHBondContact O-N 3.34Å; T238-M241 PolarHBondContact O-N 2.99Å; T238-S242 VanDerWaalsContact O-CB 3.24Å; T238-S242 WeakPolarHBondContact O-CB 3.44Å; T238-S242 PolarHBondContact O-N 2.9Å; T238-S242 PolarHBondContact O-OG 3.46Å |
| 239 | A | 93.4 | Very high | 91.7 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.2 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H199 V235 I236 T237 S242 C243 | H199-A239 VanDerWaalsContact CD2-CB 3.5Å; H199-A239 WeakPolarHBondContact CD2-CB 3.48Å; H199-A239 WeakPolarHBondContact NE2-CA 3.34Å; H199-A239 PolarHBondContact NE2-N 3.1Å; H199-A239 VanDerWaalsContact NE2-N 3.19Å; V235-A239 VanDerWaalsContact O-CB 3.29Å; V235-A239 WeakPolarHBondContact O-CB 3.48Å; V235-A239 PolarHBondContact O-N 3.33Å; I236-A239 PolarHBondContact O-N 3.37Å; T237-A239 VanDerWaalsContact C-N 3.31Å; T237-A239 PolarHBondContact O-N 2.93Å; A239-S242 PolarHBondContact O-N 2.87Å; A239-C243 VanDerWaalsContact O-CB 3.27Å; A239-C243 WeakPolarHBondContact O-CB 3.28Å; A239-C243 PolarHBondContact O-N 3.05Å |
| 240 | I | 95 | Very high | 92.2 | Very high | 75 Ų | 75 | 38.4 Ų | 38.4 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.8 | -48.5 | 177.3 | -65.2 | 166.5 | 0 | 0 | 0 | 110 | I236 T237 S242 C243 Q244 I290 | I236-I240 HydrophobicContact CG2-CD1 3.79Å; I236-I240 HydrophobicContact CG2-CG1 4.42Å; I236-I240 VanDerWaalsContact O-CG1 3.3Å; I236-I240 WeakPolarHBondContact O-CG1 3.05Å; I236-I240 PolarHBondContact O-N 3.19Å; T237-I240 PolarHBondContact O-N 3.2Å; I240-S242 VanDerWaalsContact C-N 3.31Å; I240-S242 PolarHBondContact O-N 3.4Å; I240-C243 PolarHBondContact O-N 2.81Å; I240-Q244 WeakPolarHBondContact O-CB 3.33Å; I240-Q244 PolarHBondContact O-N 2.91Å; I240-I290 HydrophobicContact CB-CG2 4.1Å; I240-I290 HydrophobicContact CG2-CD1 3.95Å; I240-I290 HydrophobicContact CG2-CG1 4.21Å; I240-I290 HydrophobicContact CG2-CG2 3.78Å |
| 241 | M | 94.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 176.8 | -68 | 176.4 | 68.5 | 0 | 0 | 111.5 | Q50 L107 T237 T238 Q244 Q245 N287 I290 | Q50-M241 HydrophobicContact CG-CE 3.86Å; L107-M241 HydrophobicContact CD1-CB 3.79Å; L107-M241 HydrophobicContact CD1-CE 4.2Å; L107-M241 HydrophobicContact CD2-CB 4.35Å; T237-M241 HydrophobicContact CG2-SD 4.08Å; T237-M241 WeakPolarHBondContact O-CG 3.34Å; T237-M241 PolarHBondContact O-N 2.91Å; T238-M241 PolarHBondContact O-N 2.99Å; M241-Q244 PolarHBondContact O-N 3.29Å; M241-Q245 WeakPolarHBondContact O-CB 3.37Å; M241-Q245 PolarHBondContact O-N 2.83Å; M241-N287 HydrophobicContact CE-CB 3.77Å; M241-I290 HydrophobicContact CG-CB 4.15Å; M241-I290 HydrophobicContact CG-CD1 4.41Å; M241-I290 HydrophobicContact CG-CG2 3.69Å |
| 242 | S | 94.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | S111 M195 H199 T238 A239 I240 Q245 A246 | S111-S242 PolarHBondContact OG-OG 3.36Å; M195-S242 WeakPolarHBondContact SD-CB 3.14Å; M195-S242 PolarHBondContact SD-OG 3.42Å; M195-S242 VanDerWaalsContact SD-OG 3.34Å; H199-S242 PolarHBondContact CE1-OG 3.18Å; T238-S242 VanDerWaalsContact O-CB 3.24Å; T238-S242 WeakPolarHBondContact O-CB 3.44Å; T238-S242 PolarHBondContact O-N 2.9Å; T238-S242 PolarHBondContact O-OG 3.46Å; A239-S242 PolarHBondContact O-N 2.87Å; I240-S242 VanDerWaalsContact C-N 3.31Å; I240-S242 PolarHBondContact O-N 3.4Å; S242-Q245 PolarHBondContact O-N 3.42Å; S242-A246 WeakPolarHBondContact O-CB 3.39Å; S242-A246 PolarHBondContact O-N 2.81Å |
| 243 | C | 95 | Very high | 93.4 | Very high | 72 Ų | 72 | 31.4 Ų | 31.4 | 49% | 0.486 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 178.1 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | A239 I240 Q245 A246 I247 | A239-C243 VanDerWaalsContact O-CB 3.27Å; A239-C243 WeakPolarHBondContact O-CB 3.28Å; A239-C243 PolarHBondContact O-N 3.05Å; I240-C243 PolarHBondContact O-N 2.81Å; C243-Q245 PolarHBondContact O-N 3.2Å; C243-A246 PolarHBondContact O-N 3.31Å; C243-I247 WeakPolarHBondContact O-CG1 3.5Å; C243-I247 PolarHBondContact O-N 3.33Å |
| 244 | Q | 95.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 175.6 | -175.1 | -166 | -95.4 | 0 | 0 | 111.4 | I240 M241 A246 I247 L248 G283 S286 N287 | I240-Q244 WeakPolarHBondContact O-CB 3.33Å; I240-Q244 PolarHBondContact O-N 2.91Å; M241-Q244 PolarHBondContact O-N 3.29Å; Q244-A246 VanDerWaalsContact C-N 3.31Å; Q244-A246 PolarHBondContact O-N 3.49Å; Q244-I247 PolarHBondContact O-N 3.24Å; Q244-L248 HydrophobicContact CG-CD1 3.59Å; Q244-L248 HydrophobicContact CG-CG 4.19Å; Q244-L248 WeakPolarHBondContact O-CB 3.25Å; Q244-L248 WeakPolarHBondContact O-CG 3.29Å; Q244-L248 PolarHBondContact O-N 3.16Å; Q244-G283 PolarHBondContact NE2-O 2.97Å; Q244-S286 PolarHBondContact NE2-OG 3.4Å; Q244-S286 PolarHBondContact OE1-OG 3.16Å; Q244-N287 PolarHBondContact NE2-OD1 3.39Å |
| 245 | Q | 94.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 177.4 | -169.7 | 76.5 | -23.7 | 0 | 0 | 111.2 | L107 M241 S242 C243 I247 L248 H249 | L107-Q245 HydrophobicContact CD2-CB 3.75Å; L107-Q245 HydrophobicContact CD2-CG 4.05Å; M241-Q245 WeakPolarHBondContact O-CB 3.37Å; M241-Q245 PolarHBondContact O-N 2.83Å; S242-Q245 PolarHBondContact O-N 3.42Å; C243-Q245 PolarHBondContact O-N 3.2Å; Q245-I247 VanDerWaalsContact C-N 3.32Å; Q245-I247 PolarHBondContact O-N 3.36Å; Q245-L248 PolarHBondContact O-N 3.21Å; Q245-H249 VanDerWaalsContact CD-NE2 3.28Å; Q245-H249 PolarHBondContact NE2-NE2 3.43Å; Q245-H249 VanDerWaalsContact O-CB 3.27Å; Q245-H249 WeakPolarHBondContact O-CB 3.37Å; Q245-H249 PolarHBondContact O-CD2 2.58Å; Q245-H249 PolarHBondContact O-N 2.87Å; Q245-H249 PolarHBondContact OE1-CD2 3.14Å; Q245-H249 PolarHBondContact OE1-NE2 2.93Å |
| 246 | A | 94.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 12% | 0.116 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y188 L192 S242 C243 Q244 S250 | Y188-A246 VanDerWaalsContact CE2-O 3.32Å; Y188-A246 WeakPolarHBondContact CE2-O 3.4Å; Y188-A246 PolarHBondContact OH-O 2.84Å; L192-A246 HydrophobicContact CD1-CB 3.63Å; S242-A246 WeakPolarHBondContact O-CB 3.39Å; S242-A246 PolarHBondContact O-N 2.81Å; C243-A246 PolarHBondContact O-N 3.31Å; Q244-A246 VanDerWaalsContact C-N 3.31Å; Q244-A246 PolarHBondContact O-N 3.49Å; A246-S250 WeakPolarHBondContact O-CB 3.41Å; A246-S250 PolarHBondContact O-N 3.24Å |
| 247 | I | 95.9 | Very high | 93.4 | Very high | 107 Ų | 107 | 33 Ų | 33 | 55% | 0.549 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.8 | -51.1 | 178.1 | -66.9 | 165.9 | 0 | 0 | 0 | 109.9 | C243 Q244 Q245 H249 S250 | C243-I247 WeakPolarHBondContact O-CG1 3.5Å; C243-I247 PolarHBondContact O-N 3.33Å; Q244-I247 PolarHBondContact O-N 3.24Å; Q245-I247 VanDerWaalsContact C-N 3.32Å; Q245-I247 PolarHBondContact O-N 3.36Å; I247-H249 PolarHBondContact O-N 3.4Å; I247-S250 WeakPolarHBondContact O-CB 3.28Å; I247-S250 PolarHBondContact O-N 3.19Å; I247-S250 PolarHBondContact O-OG 3.21Å |
| 248 | L | 96.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 36 Ų | 36 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.5 | -35.4 | -173.3 | -66.3 | 177.9 | 0 | 0 | 0 | 113.2 | Q244 Q245 S250 L279 L282 G283 | Q244-L248 HydrophobicContact CG-CD1 3.59Å; Q244-L248 HydrophobicContact CG-CG 4.19Å; Q244-L248 WeakPolarHBondContact O-CB 3.25Å; Q244-L248 WeakPolarHBondContact O-CG 3.29Å; Q244-L248 PolarHBondContact O-N 3.16Å; Q245-L248 PolarHBondContact O-N 3.21Å; L248-S250 VanDerWaalsContact C-N 3.35Å; L248-L279 WeakPolarHBondContact CB-O 2.91Å; L248-L279 WeakPolarHBondContact CD1-O 3.4Å; L248-L279 HydrophobicContact CD2-CB 4.38Å; L248-L279 HydrophobicContact CD2-CD2 4.03Å; L248-L282 HydrophobicContact CD1-CB 4.33Å; L248-L282 HydrophobicContact CD1-CG 4.46Å; L248-L282 HydrophobicContact CD2-CD2 4.18Å; L248-G283 VanDerWaalsContact CD1-CA 3.41Å |
| 249 | H | 94.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -78.8 | -15.5 | 175.5 | -81.1 | -111.6 | 0 | 0 | 0 | 114.1 | C100 V104 Y188 Q245 I247 F251 E252 C253 | C100-H249 VanDerWaalsContact SG-CE1 3.59Å; V104-H249 VanDerWaalsContact CG2-CE1 3.43Å; V104-H249 WeakPolarHBondContact CG2-CE1 3.49Å; Y188-H249 HydrophobicContact CD2-CB 3.96Å; Y188-H249 HydrophobicContact CE2-CB 4.23Å; Q245-H249 VanDerWaalsContact CD-NE2 3.28Å; Q245-H249 PolarHBondContact NE2-NE2 3.43Å; Q245-H249 VanDerWaalsContact O-CB 3.27Å; Q245-H249 WeakPolarHBondContact O-CB 3.37Å; Q245-H249 PolarHBondContact O-CD2 2.58Å; Q245-H249 PolarHBondContact O-N 2.87Å; Q245-H249 PolarHBondContact OE1-CD2 3.14Å; Q245-H249 PolarHBondContact OE1-NE2 2.93Å; I247-H249 PolarHBondContact O-N 3.4Å; H249-F251 PolarHBondContact O-N 3.1Å; H249-E252 PolarHBondContact O-N 2.87Å; H249-C253 PolarHBondContact O-N 2.77Å |
| 250 | S | 94.2 | Very high | 92.5 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 22% | 0.217 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -38.6 | -177.5 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | Y188 A246 I247 L248 E252 C253 I254 | Y188-S250 VanDerWaalsContact OH-CB 3.24Å; Y188-S250 WeakPolarHBondContact OH-CB 3.35Å; A246-S250 WeakPolarHBondContact O-CB 3.41Å; A246-S250 PolarHBondContact O-N 3.24Å; I247-S250 WeakPolarHBondContact O-CB 3.28Å; I247-S250 PolarHBondContact O-N 3.19Å; I247-S250 PolarHBondContact O-OG 3.21Å; L248-S250 VanDerWaalsContact C-N 3.35Å; S250-E252 PolarHBondContact O-N 3.35Å; S250-C253 PolarHBondContact O-N 3.3Å; S250-I254 VanDerWaalsContact O-CG1 3.26Å; S250-I254 WeakPolarHBondContact O-CG1 3.47Å; S250-I254 PolarHBondContact O-N 3.49Å |
| 251 | F | 94.5 | Very high | 92.1 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 29% | 0.285 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.4 | -48.4 | -179.9 | -177.9 | -95.4 | 0 | 0 | 0 | 111.6 | H249 C253 I254 V255 I272 M275 S276 L279 | H249-F251 PolarHBondContact O-N 3.1Å; F251-C253 VanDerWaalsContact C-N 3.33Å; F251-C253 PolarHBondContact O-N 3.16Å; F251-I254 PolarHBondContact O-N 3.08Å; F251-V255 HydrophobicContact CD1-CG2 4.1Å; F251-V255 HydrophobicContact CE1-CG2 3.68Å; F251-V255 HydrophobicContact CE2-CG2 4.25Å; F251-V255 HydrophobicContact CZ-CG2 3.77Å; F251-V255 WeakPolarHBondContact O-CG2 3.32Å; F251-V255 PolarHBondContact O-N 3.06Å; F251-I272 HydrophobicContact CE1-CG2 4.43Å; F251-I272 HydrophobicContact CZ-CG2 4.3Å; F251-M275 HydrophobicContact CD1-CG 4.27Å; F251-M275 HydrophobicContact CE1-CB 3.83Å; F251-M275 HydrophobicContact CE1-CG 3.78Å; F251-M275 HydrophobicContact CZ-CB 4.14Å; F251-M275 HydrophobicContact CZ-CG 3.92Å; F251-S276 VanDerWaalsContact CD1-OG 3.31Å; F251-S276 WeakPolarHBondContact CD1-OG 3.09Å; F251-S276 WeakPolarHBondContact CE1-OG 3.41Å; F251-L279 HydrophobicContact CB-CD1 3.56Å; F251-L279 HydrophobicContact CD1-CD1 3.99Å; F251-L279 HydrophobicContact CD2-CD1 4.44Å; F251-L279 HydrophobicContact CG-CD1 3.74Å |
| 252 | E | 92.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.8 | 175.4 | 60.6 | -176.1 | 0 | 0 | 111.3 | W97 H249 S250 I254 V255 Q256 S276 I280 | W97-E252 HydrophobicContact CH2-CG 4.37Å; H249-E252 PolarHBondContact O-N 2.87Å; S250-E252 PolarHBondContact O-N 3.35Å; E252-I254 VanDerWaalsContact C-N 3.34Å; E252-I254 PolarHBondContact O-N 3.3Å; E252-V255 PolarHBondContact O-N 3.34Å; E252-Q256 HydrophobicContact CG-CG 4.36Å; E252-Q256 WeakPolarHBondContact O-CB 3.48Å; E252-Q256 WeakPolarHBondContact O-CG 3.09Å; E252-Q256 PolarHBondContact O-N 3.49Å; E252-Q256 WeakPolarHBondContact OE1-CG 3.36Å; E252-Q256 PolarHBondContact OE1-NE2 3.13Å; E252-S276 WeakPolarHBondContact OE2-CB 3.47Å; E252-S276 PolarHBondContact OE2-OG 2.72Å; E252-I280 HydrophobicContact CB-CD1 4.13Å; E252-I280 HydrophobicContact CG-CD1 4.23Å |
| 253 | C | 91.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | Y188 H249 S250 F251 I257 | Y188-C253 HydrophobicContact CD1-CB 3.85Å; Y188-C253 VanDerWaalsContact CD1-SG 3.58Å; Y188-C253 HydrophobicContact CD2-CB 4.27Å; Y188-C253 HydrophobicContact CE1-CB 4.35Å; Y188-C253 HydrophobicContact CG-CB 3.81Å; H249-C253 PolarHBondContact O-N 2.77Å; S250-C253 PolarHBondContact O-N 3.3Å; F251-C253 VanDerWaalsContact C-N 3.33Å; F251-C253 PolarHBondContact O-N 3.16Å; C253-I257 WeakPolarHBondContact O-CD1 3.5Å; C253-I257 VanDerWaalsContact O-CG1 3.27Å; C253-I257 WeakPolarHBondContact O-CG1 3.43Å; C253-I257 PolarHBondContact O-N 3.25Å; C253-I257 VanDerWaalsContact O-N 3.14Å |
| 254 | I | 91.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 48% | 0.482 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 177.7 | -68.9 | 163.2 | 0 | 0 | 0 | 110.1 | S250 F251 E252 Q256 I257 L258 | S250-I254 VanDerWaalsContact O-CG1 3.26Å; S250-I254 WeakPolarHBondContact O-CG1 3.47Å; S250-I254 PolarHBondContact O-N 3.49Å; F251-I254 PolarHBondContact O-N 3.08Å; E252-I254 VanDerWaalsContact C-N 3.34Å; E252-I254 PolarHBondContact O-N 3.3Å; I254-Q256 PolarHBondContact O-N 3.21Å; I254-I257 PolarHBondContact O-N 3.32Å; I254-L258 HydrophobicContact CG2-CD1 3.91Å; I254-L258 HydrophobicContact CG2-CG 4.31Å; I254-L258 VanDerWaalsContact O-CG 3.31Å; I254-L258 WeakPolarHBondContact O-CG 3.47Å; I254-L258 PolarHBondContact O-N 3.5Å |
| 255 | V | 91.3 | Very high | 90.2 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 9% | 0.085 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 179.4 | 167 | 0 | 0 | 0 | 0 | 111.2 | F251 E252 I257 L258 I259 I272 | F251-V255 HydrophobicContact CD1-CG2 4.1Å; F251-V255 HydrophobicContact CE1-CG2 3.68Å; F251-V255 HydrophobicContact CE2-CG2 4.25Å; F251-V255 HydrophobicContact CZ-CG2 3.77Å; F251-V255 WeakPolarHBondContact O-CG2 3.32Å; F251-V255 PolarHBondContact O-N 3.06Å; E252-V255 PolarHBondContact O-N 3.34Å; V255-I257 VanDerWaalsContact C-N 3.33Å; V255-I257 PolarHBondContact O-N 3.04Å; V255-L258 PolarHBondContact O-N 3.41Å; V255-I259 HydrophobicContact CG1-CD1 3.68Å; V255-I259 HydrophobicContact CG1-CG1 4.41Å; V255-I259 VanDerWaalsContact O-CG1 3.3Å; V255-I259 WeakPolarHBondContact O-CG1 3.44Å; V255-I259 PolarHBondContact O-N 3.23Å; V255-I272 HydrophobicContact CB-CG2 4.33Å; V255-I272 HydrophobicContact CG1-CG2 3.65Å; V255-I272 HydrophobicContact CG2-CG2 3.63Å |
| 256 | Q | 88.7 | Confident | 89.4 | Confident | 38 Ų | 38 | 55 Ų | 55 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -40 | 179.1 | -69.5 | -68.5 | -1.6 | 0 | 0 | 112.3 | V180 E252 I254 I259 T260 | V180-Q256 HydrophobicContact CG1-CB 3.83Å; V180-Q256 WeakPolarHBondContact CG1-O 3.28Å; E252-Q256 HydrophobicContact CG-CG 4.36Å; E252-Q256 WeakPolarHBondContact O-CB 3.48Å; E252-Q256 WeakPolarHBondContact O-CG 3.09Å; E252-Q256 PolarHBondContact O-N 3.49Å; E252-Q256 WeakPolarHBondContact OE1-CG 3.36Å; E252-Q256 PolarHBondContact OE1-NE2 3.13Å; I254-Q256 PolarHBondContact O-N 3.21Å; Q256-I259 PolarHBondContact O-N 2.93Å; Q256-T260 PolarHBondContact O-N 3.31Å; Q256-T260 PolarHBondContact O-OG1 3.27Å |
| 257 | I | 87.9 | Confident | 88.6 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 30% | 0.303 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 174 | -68.2 | 166.1 | 0 | 0 | 0 | 110.6 | F189 C253 I254 V255 I259 T260 T261 | F189-I257 HydrophobicContact CE2-CD1 4.39Å; F189-I257 HydrophobicContact CZ-CD1 4.46Å; C253-I257 WeakPolarHBondContact O-CD1 3.5Å; C253-I257 VanDerWaalsContact O-CG1 3.27Å; C253-I257 WeakPolarHBondContact O-CG1 3.43Å; C253-I257 PolarHBondContact O-N 3.25Å; C253-I257 VanDerWaalsContact O-N 3.14Å; I254-I257 PolarHBondContact O-N 3.32Å; V255-I257 VanDerWaalsContact C-N 3.33Å; V255-I257 PolarHBondContact O-N 3.04Å; I257-I259 VanDerWaalsContact C-N 3.29Å; I257-I259 PolarHBondContact O-N 3.45Å; I257-T260 PolarHBondContact O-N 2.86Å; I257-T261 HydrophobicContact CG2-CG2 4.32Å; I257-T261 WeakPolarHBondContact O-CG2 3.39Å; I257-T261 PolarHBondContact O-N 3.13Å; I257-T261 PolarHBondContact O-OG1 3.4Å; I257-T261 VanDerWaalsContact O-OG1 3.04Å |
| 258 | L | 89.9 | Confident | 87.6 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 178.2 | -70.6 | 175 | 0 | 0 | 0 | 112.2 | I254 V255 T261 G262 V263 V264 | I254-L258 HydrophobicContact CG2-CD1 3.91Å; I254-L258 HydrophobicContact CG2-CG 4.31Å; I254-L258 VanDerWaalsContact O-CG 3.31Å; I254-L258 WeakPolarHBondContact O-CG 3.47Å; I254-L258 PolarHBondContact O-N 3.5Å; V255-L258 PolarHBondContact O-N 3.41Å; L258-T261 WeakPolarHBondContact CA-OG1 3.43Å; L258-T261 PolarHBondContact O-OG1 3.45Å; L258-G262 PolarHBondContact O-N 3.48Å; L258-V263 HydrophobicContact CB-CB 4.5Å; L258-V263 HydrophobicContact CD2-CB 4.09Å; L258-V263 HydrophobicContact CD2-CG1 4.03Å; L258-V263 HydrophobicContact CD2-CG2 4.45Å; L258-V263 PolarHBondContact O-N 2.91Å; L258-V264 HydrophobicContact CB-CB 4.35Å; L258-V264 HydrophobicContact CB-CG2 3.97Å; L258-V264 HydrophobicContact CD1-CG2 4.38Å; L258-V264 PolarHBondContact O-N 3.3Å |
| 259 | I | 85.8 | Confident | 86.6 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 18% | 0.179 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 174.2 | -71.3 | 162.3 | 0 | 0 | 0 | 110.9 | V255 Q256 I257 T261 G262 V264 Y266 | V255-I259 HydrophobicContact CG1-CD1 3.68Å; V255-I259 HydrophobicContact CG1-CG1 4.41Å; V255-I259 VanDerWaalsContact O-CG1 3.3Å; V255-I259 WeakPolarHBondContact O-CG1 3.44Å; V255-I259 PolarHBondContact O-N 3.23Å; Q256-I259 PolarHBondContact O-N 2.93Å; I257-I259 VanDerWaalsContact C-N 3.29Å; I257-I259 PolarHBondContact O-N 3.45Å; I259-T261 VanDerWaalsContact C-N 3.3Å; I259-T261 PolarHBondContact O-N 2.96Å; I259-G262 PolarHBondContact O-N 2.86Å; I259-V264 WeakPolarHBondContact CA-O 3.46Å; I259-V264 HydrophobicContact CG1-CB 4.37Å; I259-V264 HydrophobicContact CG1-CG1 4.38Å; I259-Y266 HydrophobicContact CD1-CD2 3.81Å; I259-Y266 HydrophobicContact CD1-CG 4.42Å |
| 260 | T | 83.8 | Confident | 86.1 | Confident | 36 Ų | 36 | 58 Ų | 58 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -35 | -177 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | V180 Y181 Q256 I257 G262 | V180-T260 WeakPolarHBondContact CB-OG1 3.43Å; V180-T260 WeakPolarHBondContact CG1-OG1 3.49Å; V180-T260 WeakPolarHBondContact CG2-OG1 3.41Å; Y181-T260 HydrophobicContact CE2-CG2 4.1Å; Q256-T260 PolarHBondContact O-N 3.31Å; Q256-T260 PolarHBondContact O-OG1 3.27Å; I257-T260 PolarHBondContact O-N 2.86Å; T260-G262 PolarHBondContact O-N 3.23Å |
| 261 | T | 86.7 | Confident | 85.6 | Confident | 83 Ų | 83 | 59.5 Ų | 59.5 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2.5 | 174.6 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | I257 L258 I259 V263 | I257-T261 HydrophobicContact CG2-CG2 4.32Å; I257-T261 WeakPolarHBondContact O-CG2 3.39Å; I257-T261 PolarHBondContact O-N 3.13Å; I257-T261 PolarHBondContact O-OG1 3.4Å; I257-T261 VanDerWaalsContact O-OG1 3.04Å; L258-T261 WeakPolarHBondContact CA-OG1 3.43Å; L258-T261 PolarHBondContact O-OG1 3.45Å; I259-T261 VanDerWaalsContact C-N 3.3Å; I259-T261 PolarHBondContact O-N 2.96Å; T261-V263 PolarHBondContact O-N 2.93Å; T261-V263 WeakPolarHBondContact OG1-CG2 3.39Å |
| 262 | G | 84.5 | Confident | 85.2 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 11.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L258 I259 T260 | L258-G262 PolarHBondContact O-N 3.48Å; I259-G262 PolarHBondContact O-N 2.86Å; T260-G262 PolarHBondContact O-N 3.23Å |
| 263 | V | 88.6 | Confident | 84.8 | Confident | 104 Ų | 104 | 61 Ų | 61 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -74.6 | -31.2 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 111 | L258 T261 | L258-V263 HydrophobicContact CB-CB 4.5Å; L258-V263 HydrophobicContact CD2-CB 4.09Å; L258-V263 HydrophobicContact CD2-CG1 4.03Å; L258-V263 HydrophobicContact CD2-CG2 4.45Å; L258-V263 PolarHBondContact O-N 2.91Å; T261-V263 PolarHBondContact O-N 2.93Å; T261-V263 WeakPolarHBondContact OG1-CG2 3.39Å |
| 264 | V | 85.4 | Confident | 84.7 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -128 | 130.2 | 177.9 | 177 | 0 | 0 | 0 | 0 | 109.3 | L258 I259 I272 | L258-V264 HydrophobicContact CB-CB 4.35Å; L258-V264 HydrophobicContact CB-CG2 3.97Å; L258-V264 HydrophobicContact CD1-CG2 4.38Å; L258-V264 PolarHBondContact O-N 3.3Å; I259-V264 WeakPolarHBondContact CA-O 3.46Å; I259-V264 HydrophobicContact CG1-CB 4.37Å; I259-V264 HydrophobicContact CG1-CG1 4.38Å; V264-I272 HydrophobicContact CG1-CD1 4.33Å |
| 265 | E | 82.7 | Confident | 84.7 | Confident | 173 Ų | 173 | 61.3 Ų | 61.3 | 81% | 0.808 | 34% | 0.341 | S | S | * | . | trans | -78.1 | 126.9 | 173.2 | -67.6 | -175.6 | 173 | 0 | 0 | 110.7 | T267 | E265-T267 PolarHBondContact O-N 3.14Š| ||
| 266 | Y | 77.9 | Confident | 84.7 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 37% | 0.373 | 34% | 0.338 | S | S | . | . | trans | -71.7 | 116.9 | 175.1 | 177.2 | -102.6 | 0 | 0 | 0 | 110.5 | I259 E273 | I259-Y266 HydrophobicContact CD1-CD2 3.81Å; I259-Y266 HydrophobicContact CD1-CG 4.42Å; Y266-E273 PolarHBondContact OH-OE1 3.05Å | ||
| 267 | T | 76.9 | Confident | 84.8 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | trans | -127.6 | 128.6 | 169.3 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | E265 T270 | E265-T267 PolarHBondContact O-N 3.14Å; T267-T270 HydrophobicContact CG2-CG2 3.94Å; T267-T270 WeakPolarHBondContact O-CB 3.15Å; T267-T270 WeakPolarHBondContact O-CG2 3.18Å; T267-T270 PolarHBondContact O-N 3.35Å; T267-T270 PolarHBondContact O-OG1 3.41Å | ||
| 268 | Y | 75.8 | Confident | 85.1 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 29% | 0.286 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 141.7 | -178.4 | 179 | -101.1 | 0 | 0 | 0 | 112.4 | Y64 R92 T270 E273 | Y64-Y268 PolarHBondContact OH-OH 3.01Å; R92-Y268 WeakPolarHBondContact CA-OH 3.42Å; R92-Y268 HydrophobicContact CB-CD2 4.25Å; R92-Y268 HydrophobicContact CB-CE2 3.5Å; R92-Y268 VanDerWaalsContact CD-CD2 3.43Å; R92-Y268 HydrophobicContact CG-CD1 4.34Å; R92-Y268 HydrophobicContact CG-CD2 3.89Å; R92-Y268 HydrophobicContact CG-CE1 3.91Å; R92-Y268 HydrophobicContact CG-CE2 3.43Å; R92-Y268 VanDerWaalsContact CG-CE2 3.43Å; R92-Y268 HydrophobicContact CG-CG 4.34Å; R92-Y268 VanDerWaalsContact CG-CZ 3.44Å; R92-Y268 VanDerWaalsContact NH1-CB 3.33Å; Y268-T270 PolarHBondContact O-N 2.98Å; Y268-E273 VanDerWaalsContact CA-OE2 3.28Å; Y268-E273 WeakPolarHBondContact CA-OE2 3.15Å; Y268-E273 VanDerWaalsContact CD2-OE1 3.27Å; Y268-E273 WeakPolarHBondContact CD2-OE1 3.37Å; Y268-E273 WeakPolarHBondContact CD2-OE2 3.28Å |
| 269 | G | 75 | Confident | 85.5 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 9.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T8 E273 Q274 | T8-G269 WeakPolarHBondContact CG2-O 3.43Å; G269-E273 PolarHBondContact N-OE2 3.38Å; G269-Q274 PolarHBondContact O-NE2 3.36Å |
| 270 | T | 82.8 | Confident | 85.9 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | trans | -65.6 | 153.7 | 172.7 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | T267 Y268 I272 E273 Q274 | T267-T270 HydrophobicContact CG2-CG2 3.94Å; T267-T270 WeakPolarHBondContact O-CB 3.15Å; T267-T270 WeakPolarHBondContact O-CG2 3.18Å; T267-T270 PolarHBondContact O-N 3.35Å; T267-T270 PolarHBondContact O-OG1 3.41Å; Y268-T270 PolarHBondContact O-N 2.98Å; T270-I272 PolarHBondContact O-N 2.89Å; T270-I272 VanDerWaalsContact O-N 3.13Å; T270-E273 PolarHBondContact O-N 2.76Å; T270-Q274 WeakPolarHBondContact O-CG 3.48Å; T270-Q274 PolarHBondContact O-N 2.89Å; T270-Q274 VanDerWaalsContact O-N 3.1Å | ||
| 271 | P | 84.3 | Confident | 86.5 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54.6 | -29.9 | 172.9 | -27.3 | 35.9 | 0 | 0 | 0 | 113.4 | V7 I11 M275 | V7-P271 HydrophobicContact CG1-CG 4.08Å; I11-P271 HydrophobicContact CD1-CB 3.93Å; I11-P271 HydrophobicContact CD1-CG 4.32Å; P271-M275 VanDerWaalsContact O-CB 3.29Å; P271-M275 WeakPolarHBondContact O-CB 3.48Å; P271-M275 PolarHBondContact O-N 2.91Å |
| 272 | I | 86.1 | Confident | 87 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -52.6 | 178.7 | -61.3 | 175.7 | 0 | 0 | 0 | 110.7 | F251 V255 V264 T270 Q274 M275 S276 | F251-I272 HydrophobicContact CE1-CG2 4.43Å; F251-I272 HydrophobicContact CZ-CG2 4.3Å; V255-I272 HydrophobicContact CB-CG2 4.33Å; V255-I272 HydrophobicContact CG1-CG2 3.65Å; V255-I272 HydrophobicContact CG2-CG2 3.63Å; V264-I272 HydrophobicContact CG1-CD1 4.33Å; T270-I272 PolarHBondContact O-N 2.89Å; T270-I272 VanDerWaalsContact O-N 3.13Å; I272-Q274 VanDerWaalsContact C-N 3.3Å; I272-Q274 PolarHBondContact O-N 2.76Å; I272-M275 WeakPolarHBondContact O-CB 3.37Å; I272-M275 PolarHBondContact O-N 3.44Å; I272-S276 PolarHBondContact O-N 2.99Å; I272-S276 VanDerWaalsContact O-N 3.16Å |
| 273 | E | 83.9 | Confident | 87.5 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 177.3 | -178.6 | -177.1 | -154.6 | 0 | 0 | 111.9 | Y266 Y268 G269 T270 M275 S276 T277 | Y266-E273 PolarHBondContact OH-OE1 3.05Å; Y268-E273 VanDerWaalsContact CA-OE2 3.28Å; Y268-E273 WeakPolarHBondContact CA-OE2 3.15Å; Y268-E273 VanDerWaalsContact CD2-OE1 3.27Å; Y268-E273 WeakPolarHBondContact CD2-OE1 3.37Å; Y268-E273 WeakPolarHBondContact CD2-OE2 3.28Å; G269-E273 PolarHBondContact N-OE2 3.38Å; T270-E273 PolarHBondContact O-N 2.76Å; E273-M275 VanDerWaalsContact C-N 3.34Å; E273-S276 WeakPolarHBondContact O-CB 3.17Å; E273-S276 PolarHBondContact O-N 3.23Å; E273-T277 PolarHBondContact O-N 2.92Å; E273-T277 VanDerWaalsContact O-N 3.14Å; E273-T277 PolarHBondContact O-OG1 2.94Å |
| 274 | Q | 89.2 | Confident | 87.9 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -37.9 | 177.3 | -69.6 | 178.9 | -8.2 | 0 | 0 | 111.8 | I11 I15 G269 T270 I272 T277 F278 | I11-Q274 HydrophobicContact CG2-CB 3.66Å; I11-Q274 HydrophobicContact CG2-CG 4.41Å; I11-Q274 VanDerWaalsContact CG2-OE1 3.26Å; I15-Q274 HydrophobicContact CD1-CB 3.94Å; I15-Q274 HydrophobicContact CD1-CG 4.49Å; I15-Q274 WeakPolarHBondContact CD1-O 3.27Å; G269-Q274 PolarHBondContact O-NE2 3.36Å; T270-Q274 WeakPolarHBondContact O-CG 3.48Å; T270-Q274 PolarHBondContact O-N 2.89Å; T270-Q274 VanDerWaalsContact O-N 3.1Å; I272-Q274 VanDerWaalsContact C-N 3.3Å; I272-Q274 PolarHBondContact O-N 2.76Å; Q274-T277 PolarHBondContact O-N 3.34Å; Q274-F278 WeakPolarHBondContact O-CB 3.33Å; Q274-F278 PolarHBondContact O-N 3.18Å |
| 275 | M | 91 | Very high | 88.4 | Confident | 86 Ų | 86 | 45.6 Ų | 45.6 | 42% | 0.424 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.6 | -176.7 | 62.5 | 101.4 | 0 | 0 | 111.6 | F251 P271 I272 E273 T277 F278 L279 | F251-M275 HydrophobicContact CD1-CG 4.27Å; F251-M275 HydrophobicContact CE1-CB 3.83Å; F251-M275 HydrophobicContact CE1-CG 3.78Å; F251-M275 HydrophobicContact CZ-CB 4.14Å; F251-M275 HydrophobicContact CZ-CG 3.92Å; P271-M275 VanDerWaalsContact O-CB 3.29Å; P271-M275 WeakPolarHBondContact O-CB 3.48Å; P271-M275 PolarHBondContact O-N 2.91Å; I272-M275 WeakPolarHBondContact O-CB 3.37Å; I272-M275 PolarHBondContact O-N 3.44Å; E273-M275 VanDerWaalsContact C-N 3.34Å; M275-T277 PolarHBondContact O-N 3.5Å; M275-F278 WeakPolarHBondContact O-CB 3.38Å; M275-F278 PolarHBondContact O-N 2.89Å; M275-F278 HydrophobicContact SD-CD1 3.76Å; M275-F278 HydrophobicContact SD-CE1 4.43Å; M275-L279 HydrophobicContact CG-CD1 4.16Å; M275-L279 HydrophobicContact CG-CG 4.44Å; M275-L279 WeakPolarHBondContact O-CG 3.38Å; M275-L279 PolarHBondContact O-N 2.89Å; M275-L279 HydrophobicContact SD-CD1 4.44Å; M275-L279 HydrophobicContact SD-CG 4.25Å |
| 276 | S | 91.1 | Very high | 89 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 173.3 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | F251 E252 I272 E273 F278 L279 I280 | F251-S276 VanDerWaalsContact CD1-OG 3.31Å; F251-S276 WeakPolarHBondContact CD1-OG 3.09Å; F251-S276 WeakPolarHBondContact CE1-OG 3.41Å; E252-S276 WeakPolarHBondContact OE2-CB 3.47Å; E252-S276 PolarHBondContact OE2-OG 2.72Å; I272-S276 PolarHBondContact O-N 2.99Å; I272-S276 VanDerWaalsContact O-N 3.16Å; E273-S276 WeakPolarHBondContact O-CB 3.17Å; E273-S276 PolarHBondContact O-N 3.23Å; S276-F278 VanDerWaalsContact C-N 3.34Å; S276-F278 PolarHBondContact O-N 2.99Å; S276-L279 PolarHBondContact O-N 3.26Å; S276-I280 WeakPolarHBondContact O-CG1 3.37Å; S276-I280 PolarHBondContact O-N 3.41Å |
| 277 | T | 92.3 | Very high | 89.8 | Confident | 19 Ų | 19 | 34 Ų | 34 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | I15 T61 F96 E273 Q274 M275 I280 L281 | I15-T277 HydrophobicContact CG2-CG2 4.37Å; T61-T277 HydrophobicContact CG2-CG2 4.44Å; F96-T277 HydrophobicContact CE1-CG2 4.12Å; F96-T277 HydrophobicContact CZ-CG2 4.12Å; E273-T277 PolarHBondContact O-N 2.92Å; E273-T277 VanDerWaalsContact O-N 3.14Å; E273-T277 PolarHBondContact O-OG1 2.94Å; Q274-T277 PolarHBondContact O-N 3.34Å; M275-T277 PolarHBondContact O-N 3.5Å; T277-I280 PolarHBondContact O-N 3.45Å; T277-L281 WeakPolarHBondContact O-CB 3.41Å; T277-L281 PolarHBondContact O-N 3.13Å |
| 278 | F | 94.4 | Very high | 90.4 | Very high | 55 Ų | 55 | 30.3 Ų | 30.3 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.9 | -54 | 175 | 170.9 | -101.1 | 0 | 0 | 0 | 111.6 | I14 I15 E18 Q274 M275 S276 I280 L281 L282 | I14-F278 HydrophobicContact CG2-CD2 4.14Å; I14-F278 HydrophobicContact CG2-CE2 3.82Å; I15-F278 HydrophobicContact CD1-CB 4.29Å; I15-F278 HydrophobicContact CG1-CB 3.97Å; I15-F278 HydrophobicContact CG1-CD2 4.28Å; E18-F278 WeakPolarHBondContact OE2-CD2 3.49Å; E18-F278 VanDerWaalsContact OE2-CE2 3.25Å; E18-F278 WeakPolarHBondContact OE2-CE2 3.46Å; Q274-F278 WeakPolarHBondContact O-CB 3.33Å; Q274-F278 PolarHBondContact O-N 3.18Å; M275-F278 WeakPolarHBondContact O-CB 3.38Å; M275-F278 PolarHBondContact O-N 2.89Å; M275-F278 HydrophobicContact SD-CD1 3.76Å; M275-F278 HydrophobicContact SD-CE1 4.43Å; S276-F278 VanDerWaalsContact C-N 3.34Å; S276-F278 PolarHBondContact O-N 2.99Å; F278-I280 PolarHBondContact O-N 3.35Å; F278-L281 PolarHBondContact O-N 3.43Å; F278-L282 PolarHBondContact O-N 3.45Å |
| 279 | L | 96.4 | Very high | 91.2 | Very high | 34 Ų | 34 | 28.8 Ų | 28.8 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | -177.5 | -69 | 173 | 0 | 0 | 0 | 112.6 | L248 F251 M275 S276 L282 G283 | L248-L279 WeakPolarHBondContact CB-O 2.91Å; L248-L279 WeakPolarHBondContact CD1-O 3.4Å; L248-L279 HydrophobicContact CD2-CB 4.38Å; L248-L279 HydrophobicContact CD2-CD2 4.03Å; F251-L279 HydrophobicContact CB-CD1 3.56Å; F251-L279 HydrophobicContact CD1-CD1 3.99Å; F251-L279 HydrophobicContact CD2-CD1 4.44Å; F251-L279 HydrophobicContact CG-CD1 3.74Å; M275-L279 HydrophobicContact CG-CD1 4.16Å; M275-L279 HydrophobicContact CG-CG 4.44Å; M275-L279 WeakPolarHBondContact O-CG 3.38Å; M275-L279 PolarHBondContact O-N 2.89Å; M275-L279 HydrophobicContact SD-CD1 4.44Å; M275-L279 HydrophobicContact SD-CG 4.25Å; S276-L279 PolarHBondContact O-N 3.26Å; L279-L282 WeakPolarHBondContact O-CB 3.45Å; L279-L282 PolarHBondContact O-N 3.25Å; L279-G283 PolarHBondContact O-N 2.84Å |
| 280 | I | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -43.1 | 176.5 | -68 | 173 | 0 | 0 | 0 | 110.5 | F96 W97 E252 S276 T277 F278 L282 G283 C284 | F96-I280 HydrophobicContact CE2-CG2 4.28Å; F96-I280 HydrophobicContact CZ-CB 4.11Å; F96-I280 HydrophobicContact CZ-CG2 3.62Å; W97-I280 HydrophobicContact CH2-CD1 4.19Å; W97-I280 HydrophobicContact CZ3-CD1 3.87Å; E252-I280 HydrophobicContact CB-CD1 4.13Å; E252-I280 HydrophobicContact CG-CD1 4.23Å; S276-I280 WeakPolarHBondContact O-CG1 3.37Å; S276-I280 PolarHBondContact O-N 3.41Å; T277-I280 PolarHBondContact O-N 3.45Å; F278-I280 PolarHBondContact O-N 3.35Å; I280-L282 VanDerWaalsContact C-N 3.32Å; I280-L282 PolarHBondContact O-N 3.36Å; I280-G283 WeakPolarHBondContact O-CA 3.02Å; I280-G283 PolarHBondContact O-N 3.17Å; I280-C284 PolarHBondContact O-N 3.38Å; I280-C284 VanDerWaalsContact O-N 3.1Å |
| 281 | L | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 179.6 | -171.8 | 65.3 | 0 | 0 | 0 | 112.1 | I15 E18 C58 T61 F96 T277 F278 G283 C284 M285 | I15-L281 HydrophobicContact CG2-CD2 3.71Å; I15-L281 WeakPolarHBondContact O-CD2 3.09Å; E18-L281 HydrophobicContact CB-CD2 4.23Å; E18-L281 HydrophobicContact CG-CD2 4.06Å; E18-L281 HydrophobicContact CG-CG 4.11Å; C58-L281 HydrophobicContact CB-CD1 4.15Å; T61-L281 HydrophobicContact CG2-CD2 4.03Å; F96-L281 HydrophobicContact CE2-CD1 4.46Å; T277-L281 WeakPolarHBondContact O-CB 3.41Å; T277-L281 PolarHBondContact O-N 3.13Å; F278-L281 PolarHBondContact O-N 3.43Å; L281-G283 PolarHBondContact O-N 3.48Å; L281-C284 PolarHBondContact O-N 2.93Å; L281-M285 WeakPolarHBondContact O-CB 3.37Å; L281-M285 PolarHBondContact O-N 2.84Å |
| 282 | L | 96.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 24.6 Ų | 24.6 | 28% | 0.283 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -55.2 | -40.8 | 171.9 | -173.1 | 59.5 | 0 | 0 | 0 | 111 | E18 L248 F278 L279 I280 M285 S286 | E18-L282 WeakPolarHBondContact OE1-CA 3.38Å; E18-L282 WeakPolarHBondContact OE1-CB 3.03Å; E18-L282 VanDerWaalsContact OE1-CD1 3.29Å; E18-L282 WeakPolarHBondContact OE1-CD1 3.48Å; E18-L282 PolarHBondContact OE1-N 2.94Å; E18-L282 VanDerWaalsContact OE1-N 3.17Å; L248-L282 HydrophobicContact CD1-CB 4.33Å; L248-L282 HydrophobicContact CD1-CG 4.46Å; L248-L282 HydrophobicContact CD2-CD2 4.18Å; F278-L282 PolarHBondContact O-N 3.45Å; L279-L282 WeakPolarHBondContact O-CB 3.45Å; L279-L282 PolarHBondContact O-N 3.25Å; I280-L282 VanDerWaalsContact C-N 3.32Å; I280-L282 PolarHBondContact O-N 3.36Å; L282-M285 HydrophobicContact CD1-CE 3.87Å; L282-M285 PolarHBondContact O-N 3.28Å; L282-S286 WeakPolarHBondContact O-CB 3.3Å; L282-S286 PolarHBondContact O-N 2.95Å; L282-S286 PolarHBondContact O-OG 3.26Å |
| 283 | G | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -49.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q244 L248 L279 I280 L281 M285 S286 N287 | Q244-G283 PolarHBondContact NE2-O 2.97Å; L248-G283 VanDerWaalsContact CD1-CA 3.41Å; L279-G283 PolarHBondContact O-N 2.84Å; I280-G283 WeakPolarHBondContact O-CA 3.02Å; I280-G283 PolarHBondContact O-N 3.17Å; L281-G283 PolarHBondContact O-N 3.48Å; G283-M285 VanDerWaalsContact C-N 3.27Å; G283-M285 PolarHBondContact O-N 3.32Å; G283-S286 PolarHBondContact O-N 3.38Å; G283-S286 PolarHBondContact O-OG 2.74Å; G283-N287 WeakPolarHBondContact O-CB 3.29Å; G283-N287 PolarHBondContact O-N 2.03Å; G283-N287 PolarHBondContact O-ND2 3.08Å; G283-N287 PolarHBondContact O-OD1 2.81Å |
| 284 | C | 96.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.4 | -33.9 | 175.7 | -70.1 | 0 | 0 | 0 | 0 | 112.7 | N26 D54 I280 L281 P288 | N26-C284 PolarHBondContact ND2-O 3.46Å; N26-C284 VanDerWaalsContact ND2-O 3.07Å; D54-C284 HydrophobicContact CB-CB 4.08Å; D54-C284 PolarHBondContact OD1-SG 3.5Å; I280-C284 PolarHBondContact O-N 3.38Å; I280-C284 VanDerWaalsContact O-N 3.1Å; L281-C284 PolarHBondContact O-N 2.93Å; C284-P288 VanDerWaalsContact O-CD 3.23Å; C284-P288 WeakPolarHBondContact O-CD 3.33Å |
| 285 | M | 95.9 | Very high | 93 | Very high | 44 Ų | 44 | 26.9 Ų | 26.9 | 22% | 0.217 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.7 | -41 | 175.6 | 176.9 | 178.2 | 91.6 | 0 | 0 | 112.2 | E18 L21 L281 L282 G283 P288 | E18-M285 HydrophobicContact CG-SD 4.11Å; L21-M285 HydrophobicContact CB-SD 3.82Å; L281-M285 WeakPolarHBondContact O-CB 3.37Å; L281-M285 PolarHBondContact O-N 2.84Å; L282-M285 HydrophobicContact CD1-CE 3.87Å; L282-M285 PolarHBondContact O-N 3.28Å; G283-M285 VanDerWaalsContact C-N 3.27Å; G283-M285 PolarHBondContact O-N 3.32Å; M285-P288 WeakPolarHBondContact O-CD 3.42Å; M285-P288 WeakPolarHBondContact O-CG 3.42Å |
| 286 | S | 95.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 16% | 0.161 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -86.8 | -23.8 | -173.5 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | Q244 L282 G283 C289 I290 | Q244-S286 PolarHBondContact NE2-OG 3.4Å; Q244-S286 PolarHBondContact OE1-OG 3.16Å; L282-S286 WeakPolarHBondContact O-CB 3.3Å; L282-S286 PolarHBondContact O-N 2.95Å; L282-S286 PolarHBondContact O-OG 3.26Å; G283-S286 PolarHBondContact O-N 3.38Å; G283-S286 PolarHBondContact O-OG 2.74Å; S286-C289 CarbonylContact O-C 3.58Å; S286-C289 WeakPolarHBondContact O-CA 3.5Å; S286-C289 VanDerWaalsContact O-CB 3.29Å; S286-C289 WeakPolarHBondContact O-CB 3.05Å; S286-C289 PolarHBondContact O-N 3.46Å; S286-I290 WeakPolarHBondContact O-CG1 3.1Å; S286-I290 PolarHBondContact O-N 3.02Å |
| 287 | N | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -47.2 | -53.5 | 173.5 | -80.3 | -13.3 | 0 | 0 | 0 | 114.4 | D54 M241 Q244 G283 C289 I290 L291 | D54-N287 WeakPolarHBondContact OD2-CB 3.19Å; D54-N287 PolarHBondContact OD2-ND2 3.4Å; M241-N287 HydrophobicContact CE-CB 3.77Å; Q244-N287 PolarHBondContact NE2-OD1 3.39Å; G283-N287 WeakPolarHBondContact O-CB 3.29Å; G283-N287 PolarHBondContact O-N 2.03Å; G283-N287 PolarHBondContact O-ND2 3.08Å; G283-N287 PolarHBondContact O-OD1 2.81Å; N287-C289 VanDerWaalsContact C-N 3.29Å; N287-C289 PolarHBondContact O-N 3.42Å; N287-I290 PolarHBondContact O-N 2.99Å; N287-L291 WeakPolarHBondContact O-CB 3.31Å; N287-L291 PolarHBondContact O-N 2.98Å |
| 288 | P | 90 | Very high | 91.8 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -38.7 | 176.1 | 23.5 | -36.3 | 0 | 0 | 0 | 112.5 | N26 A29 C284 M285 L291 I292 | N26-P288 WeakPolarHBondContact OD1-CG 3.43Å; A29-P288 HydrophobicContact CB-CB 3.38Å; C284-P288 VanDerWaalsContact O-CD 3.23Å; C284-P288 WeakPolarHBondContact O-CD 3.33Å; M285-P288 WeakPolarHBondContact O-CD 3.42Å; M285-P288 WeakPolarHBondContact O-CG 3.42Å; P288-L291 PolarHBondContact O-N 3.35Å; P288-I292 WeakPolarHBondContact O-CB 3.25Å; P288-I292 VanDerWaalsContact O-CG1 3.25Å; P288-I292 WeakPolarHBondContact O-CG1 3.14Å; P288-I292 PolarHBondContact O-N 3.42Å |
| 289 | C | 92.5 | Very high | 91.5 | Very high | 41 Ų | 41 | 29.6 Ų | 29.6 | 28% | 0.277 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.8 | -49 | 177.4 | -63 | 0 | 0 | 0 | 0 | 110.4 | S286 N287 L291 I292 F293 | S286-C289 CarbonylContact O-C 3.58Å; S286-C289 WeakPolarHBondContact O-CA 3.5Å; S286-C289 VanDerWaalsContact O-CB 3.29Å; S286-C289 WeakPolarHBondContact O-CB 3.05Å; S286-C289 PolarHBondContact O-N 3.46Å; N287-C289 VanDerWaalsContact C-N 3.29Å; N287-C289 PolarHBondContact O-N 3.42Å; C289-L291 VanDerWaalsContact C-N 3.32Å; C289-L291 PolarHBondContact O-N 3.2Å; C289-I292 PolarHBondContact O-N 3.5Å; C289-F293 HydrophobicContact CB-CD2 4.07Å; C289-F293 HydrophobicContact CB-CE2 4.13Å; C289-F293 WeakPolarHBondContact O-CB 3.34Å; C289-F293 WeakPolarHBondContact O-CD2 3.44Å; C289-F293 PolarHBondContact O-N 3.21Å |
| 290 | I | 94 | Very high | 91 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.8 | -47.8 | 175.9 | -68 | 162.9 | 0 | 0 | 0 | 110.2 | T237 I240 M241 S286 N287 I292 S294 | T237-I290 HydrophobicContact CG2-CG2 4.17Å; I240-I290 HydrophobicContact CB-CG2 4.1Å; I240-I290 HydrophobicContact CG2-CD1 3.95Å; I240-I290 HydrophobicContact CG2-CG1 4.21Å; I240-I290 HydrophobicContact CG2-CG2 3.78Å; M241-I290 HydrophobicContact CG-CB 4.15Å; M241-I290 HydrophobicContact CG-CD1 4.41Å; M241-I290 HydrophobicContact CG-CG2 3.69Å; S286-I290 WeakPolarHBondContact O-CG1 3.1Å; S286-I290 PolarHBondContact O-N 3.02Å; N287-I290 PolarHBondContact O-N 2.99Å; I290-I292 PolarHBondContact O-N 3.09Å; I290-S294 WeakPolarHBondContact O-CB 3.22Å; I290-S294 PolarHBondContact O-N 3.46Å; I290-S294 PolarHBondContact O-OG 3.23Å |
| 291 | L | 92 | Very high | 90.6 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | -179.7 | 178.9 | 59.3 | 0 | 0 | 0 | 112.2 | V33 F38 F47 T237 N287 P288 C289 T295 L298 | V33-L291 HydrophobicContact CG2-CD2 3.89Å; F38-L291 HydrophobicContact CE1-CD1 4.48Å; F47-L291 HydrophobicContact CD1-CD1 3.62Å; F47-L291 HydrophobicContact CD1-CD2 4.27Å; F47-L291 HydrophobicContact CE1-CD1 3.72Å; T237-L291 HydrophobicContact CG2-CD1 3.98Å; N287-L291 WeakPolarHBondContact O-CB 3.31Å; N287-L291 PolarHBondContact O-N 2.98Å; P288-L291 PolarHBondContact O-N 3.35Å; C289-L291 VanDerWaalsContact C-N 3.32Å; C289-L291 PolarHBondContact O-N 3.2Å; L291-T295 VanDerWaalsContact O-CB 3.29Å; L291-T295 WeakPolarHBondContact O-CB 3.13Å; L291-T295 PolarHBondContact O-N 3.01Å; L291-T295 PolarHBondContact O-OG1 3.04Å; L291-L298 HydrophobicContact CD1-CD1 4.24Å; L291-L298 HydrophobicContact CG-CD1 3.93Å |
| 292 | I | 90 | Very high | 90.1 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.7 | -49.1 | -177.8 | -65.7 | 168 | 0 | 0 | 0 | 111.2 | A29 P288 C289 I290 T295 L298 R299 L302 | A29-I292 HydrophobicContact CB-CD1 3.92Å; P288-I292 WeakPolarHBondContact O-CB 3.25Å; P288-I292 VanDerWaalsContact O-CG1 3.25Å; P288-I292 WeakPolarHBondContact O-CG1 3.14Å; P288-I292 PolarHBondContact O-N 3.42Å; C289-I292 PolarHBondContact O-N 3.5Å; I290-I292 PolarHBondContact O-N 3.09Å; I292-T295 PolarHBondContact O-N 3.37Å; I292-T295 VanDerWaalsContact O-O 3.06Å; I292-L298 HydrophobicContact CG2-CB 4.36Å; I292-R299 PolarHBondContact O-N 3.41Å; I292-L302 HydrophobicContact CD1-CD2 4.47Å; I292-L302 HydrophobicContact CG2-CB 4.22Å; I292-L302 HydrophobicContact CG2-CD2 3.78Å |
| 293 | F | 90.3 | Very high | 89.7 | Confident | 125 Ų | 125 | 45.1 Ų | 45.1 | 55% | 0.548 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.5 | -33.2 | -174.7 | -71.1 | -60.1 | 0 | 0 | 0 | 112.6 | C289 T295 | C289-F293 HydrophobicContact CB-CD2 4.07Å; C289-F293 HydrophobicContact CB-CE2 4.13Å; C289-F293 WeakPolarHBondContact O-CB 3.34Å; C289-F293 WeakPolarHBondContact O-CD2 3.44Å; C289-F293 PolarHBondContact O-N 3.21Å; F293-T295 VanDerWaalsContact C-N 3.29Å; F293-T295 PolarHBondContact O-N 3.48Å |
| 294 | S | 87.6 | Confident | 89.3 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.4 | -20.9 | 175.9 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | Q233 T237 I290 | Q233-S294 VanDerWaalsContact CG-O 3.3Å; Q233-S294 WeakPolarHBondContact CG-O 3.44Å; Q233-S294 PolarHBondContact NE2-O 3.43Å; T237-S294 WeakPolarHBondContact OG1-CB 3.4Å; I290-S294 WeakPolarHBondContact O-CB 3.22Å; I290-S294 PolarHBondContact O-N 3.46Å; I290-S294 PolarHBondContact O-OG 3.23Å |
| 295 | T | 86 | Confident | 88.8 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | trans | -106.4 | 100.9 | -178.9 | -47.8 | 0 | 0 | 0 | 0 | 112 | L291 I292 F293 A297 L298 R299 | L291-T295 VanDerWaalsContact O-CB 3.29Å; L291-T295 WeakPolarHBondContact O-CB 3.13Å; L291-T295 PolarHBondContact O-N 3.01Å; L291-T295 PolarHBondContact O-OG1 3.04Å; I292-T295 PolarHBondContact O-N 3.37Å; I292-T295 VanDerWaalsContact O-O 3.06Å; F293-T295 VanDerWaalsContact C-N 3.29Å; F293-T295 PolarHBondContact O-N 3.48Å; T295-A297 PolarHBondContact O-N 2.92Å; T295-L298 HydrophobicContact CG2-CB 4.43Å; T295-L298 HydrophobicContact CG2-CD1 4.1Å; T295-L298 HydrophobicContact CG2-CG 3.79Å; T295-L298 WeakPolarHBondContact O-CA 3.39Å; T295-L298 WeakPolarHBondContact O-CB 3.19Å; T295-L298 PolarHBondContact O-N 2.88Å; T295-R299 PolarHBondContact O-N 2.88Å | ||
| 296 | G | 82.2 | Confident | 88.3 | Confident | 19 Ų | 19 | 54 Ų | 54 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.2 | -32.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | R300 | G296-R300 WeakPolarHBondContact O-CG 3.49Å; G296-R300 PolarHBondContact O-N 2.93Å; G296-R300 VanDerWaalsContact O-N 3.08Å |
| 297 | A | 82.3 | Confident | 87.9 | Confident | 59 Ų | 59 | 56 Ų | 56 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | T295 R301 | T295-A297 PolarHBondContact O-N 2.92Å; A297-R301 WeakPolarHBondContact O-CD 3.48Å; A297-R301 VanDerWaalsContact O-CG 3.28Å; A297-R301 WeakPolarHBondContact O-CG 3.35Å; A297-R301 PolarHBondContact O-N 2.69Å |
| 298 | L | 84.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.8 | -43.4 | 175.9 | -59.6 | -179.1 | 0 | 0 | 0 | 110.6 | V32 V33 A36 F38 L291 I292 T295 R300 R301 L302 | V32-L298 HydrophobicContact CG1-CB 3.98Å; V32-L298 HydrophobicContact CG1-CD2 3.94Å; V33-L298 HydrophobicContact CG2-CD1 4.2Å; A36-L298 HydrophobicContact CB-CD2 3.43Å; A36-L298 VanDerWaalsContact CB-CD2 3.43Å; F38-L298 HydrophobicContact CE1-CD1 3.89Å; F38-L298 HydrophobicContact CE1-CD2 4.3Å; F38-L298 HydrophobicContact CE1-CG 4.36Å; F38-L298 HydrophobicContact CZ-CD1 3.77Å; F38-L298 HydrophobicContact CZ-CD2 3.78Å; F38-L298 HydrophobicContact CZ-CG 4.23Å; L291-L298 HydrophobicContact CD1-CD1 4.24Å; L291-L298 HydrophobicContact CG-CD1 3.93Å; I292-L298 HydrophobicContact CG2-CB 4.36Å; T295-L298 HydrophobicContact CG2-CB 4.43Å; T295-L298 HydrophobicContact CG2-CD1 4.1Å; T295-L298 HydrophobicContact CG2-CG 3.79Å; T295-L298 WeakPolarHBondContact O-CA 3.39Å; T295-L298 WeakPolarHBondContact O-CB 3.19Å; T295-L298 PolarHBondContact O-N 2.88Å; L298-R300 VanDerWaalsContact C-N 3.33Å; L298-R300 PolarHBondContact O-N 3.37Å; L298-R301 WeakPolarHBondContact O-CB 3.41Å; L298-R301 PolarHBondContact O-N 2.83Å; L298-R301 VanDerWaalsContact O-N 3.07Å; L298-L302 PolarHBondContact O-N 3.03Å |
| 299 | R | 87.8 | Confident | 87.4 | Confident | 138 Ų | 138 | 63.1 Ų | 63.1 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.4 | -46.4 | 175.6 | -173 | 174.4 | 68.7 | -160.3 | 6 | 112.4 | I292 T295 R301 L302 S303 | I292-R299 PolarHBondContact O-N 3.41Å; T295-R299 PolarHBondContact O-N 2.88Å; R299-R301 VanDerWaalsContact C-N 3.34Å; R299-R301 PolarHBondContact O-N 3.17Å; R299-L302 PolarHBondContact O-N 3.2Å; R299-S303 WeakPolarHBondContact O-CB 3.37Å; R299-S303 PolarHBondContact O-N 3.05Å |
| 300 | R | 86.7 | Confident | 87.1 | Confident | 198 Ų | 198 | 64.9 Ų | 64.9 | 75% | 0.747 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.6 | -44.5 | 175.2 | -75 | 179.4 | -176.9 | -172.7 | 0.4 | 111.5 | G296 L298 S303 T304 | G296-R300 WeakPolarHBondContact O-CG 3.49Å; G296-R300 PolarHBondContact O-N 2.93Å; G296-R300 VanDerWaalsContact O-N 3.08Å; L298-R300 VanDerWaalsContact C-N 3.33Å; L298-R300 PolarHBondContact O-N 3.37Å; R300-S303 PolarHBondContact O-N 2.84Å; R300-T304 PolarHBondContact O-N 2.73Å; R300-T304 PolarHBondContact O-OG1 2.98Å |
| 301 | R | 86.5 | Confident | 86.8 | Confident | 104 Ų | 104 | 69.5 Ų | 69.5 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 179.1 | -73.7 | 169 | 174.9 | -132.6 | 0 | 113.2 | V32 K35 A297 L298 R299 T304 S305 | V32-R301 HydrophobicContact CG1-CB 4.08Å; K35-R301 PolarHBondContact O-NH1 3.47Å; A297-R301 WeakPolarHBondContact O-CD 3.48Å; A297-R301 VanDerWaalsContact O-CG 3.28Å; A297-R301 WeakPolarHBondContact O-CG 3.35Å; A297-R301 PolarHBondContact O-N 2.69Å; L298-R301 WeakPolarHBondContact O-CB 3.41Å; L298-R301 PolarHBondContact O-N 2.83Å; L298-R301 VanDerWaalsContact O-N 3.07Å; R299-R301 VanDerWaalsContact C-N 3.34Å; R299-R301 PolarHBondContact O-N 3.17Å; R301-T304 PolarHBondContact O-N 2.99Å; R301-S305 WeakPolarHBondContact O-CB 3.14Å; R301-S305 PolarHBondContact O-N 3.46Å; R301-S305 PolarHBondContact O-OG 3.01Å |
| 302 | L | 86.2 | Confident | 86.5 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 18% | 0.183 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | 173.7 | 178.4 | 62.8 | 0 | 0 | 0 | 109.7 | V32 I292 L298 R299 T304 S305 I306 | V32-L302 HydrophobicContact CG2-CB 4.1Å; V32-L302 HydrophobicContact CG2-CD1 3.96Å; I292-L302 HydrophobicContact CD1-CD2 4.47Å; I292-L302 HydrophobicContact CG2-CB 4.22Å; I292-L302 HydrophobicContact CG2-CD2 3.78Å; L298-L302 PolarHBondContact O-N 3.03Å; R299-L302 PolarHBondContact O-N 3.2Å; L302-T304 PolarHBondContact O-N 2.76Å; L302-S305 WeakPolarHBondContact O-CB 3.03Å; L302-S305 PolarHBondContact O-N 3.49Å; L302-S305 VanDerWaalsContact O-N 3.09Å; L302-I306 HydrophobicContact CD1-CD1 3.95Å; L302-I306 HydrophobicContact CD1-CG1 4.17Å; L302-I306 HydrophobicContact CD2-CD1 4.42Å; L302-I306 HydrophobicContact CG-CD1 3.8Å; L302-I306 HydrophobicContact CG-CG1 4.41Å; L302-I306 WeakPolarHBondContact O-CG1 3.48Å; L302-I306 PolarHBondContact O-N 3.45Å |
| 303 | S | 87.6 | Confident | 86.1 | Confident | 77 Ų | 77 | 81.4 Ų | 81.4 | 54% | 0.538 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | R299 R300 S305 I306 S307 | R299-S303 WeakPolarHBondContact O-CB 3.37Å; R299-S303 PolarHBondContact O-N 3.05Å; R300-S303 PolarHBondContact O-N 2.84Å; S303-S305 VanDerWaalsContact C-N 3.33Å; S303-S305 PolarHBondContact O-N 3.3Å; S303-I306 PolarHBondContact O-N 3.46Å; S303-S307 PolarHBondContact O-N 3.19Å; S303-S307 PolarHBondContact O-OG 3.13Å |
| 304 | T | 88.2 | Confident | 85.9 | Confident | 89 Ų | 89 | 78.4 Ų | 78.4 | 55% | 0.546 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 175.1 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | R300 R301 L302 S307 S308 | R300-T304 PolarHBondContact O-N 2.73Å; R300-T304 PolarHBondContact O-OG1 2.98Å; R301-T304 PolarHBondContact O-N 2.99Å; L302-T304 PolarHBondContact O-N 2.76Å; T304-S307 WeakPolarHBondContact CA-OG 3.19Å; T304-S307 PolarHBondContact O-OG 3.36Å; T304-S308 WeakPolarHBondContact O-CB 3.2Å; T304-S308 PolarHBondContact O-N 3.09Å; T304-S308 PolarHBondContact O-OG 3.13Å |
| 305 | S | 85.4 | Confident | 85.6 | Confident | 52 Ų | 52 | 81 Ų | 81 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | R301 L302 S303 S308 L309 | R301-S305 WeakPolarHBondContact O-CB 3.14Å; R301-S305 PolarHBondContact O-N 3.46Å; R301-S305 PolarHBondContact O-OG 3.01Å; L302-S305 WeakPolarHBondContact O-CB 3.03Å; L302-S305 PolarHBondContact O-N 3.49Å; L302-S305 VanDerWaalsContact O-N 3.09Å; S303-S305 VanDerWaalsContact C-N 3.33Å; S303-S305 PolarHBondContact O-N 3.3Å; S305-S308 PolarHBondContact O-N 3.18Å; S305-S308 PolarHBondContact O-OG 2.92Å; S305-L309 WeakPolarHBondContact O-CB 3.31Å; S305-L309 PolarHBondContact O-N 3.36Å |
| 306 | I | 86.8 | Confident | 85.1 | Confident | 91 Ų | 91 | 85.7 Ų | 85.7 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 175 | -67.5 | 169.1 | 0 | 0 | 0 | 110 | L302 S303 S308 L309 T310 | L302-I306 HydrophobicContact CD1-CD1 3.95Å; L302-I306 HydrophobicContact CD1-CG1 4.17Å; L302-I306 HydrophobicContact CD2-CD1 4.42Å; L302-I306 HydrophobicContact CG-CD1 3.8Å; L302-I306 HydrophobicContact CG-CG1 4.41Å; L302-I306 WeakPolarHBondContact O-CG1 3.48Å; L302-I306 PolarHBondContact O-N 3.45Å; S303-I306 PolarHBondContact O-N 3.46Å; I306-S308 VanDerWaalsContact C-N 3.3Å; I306-S308 PolarHBondContact O-N 2.87Å; I306-L309 WeakPolarHBondContact O-CB 3.3Å; I306-L309 PolarHBondContact O-N 2.98Å; I306-T310 PolarHBondContact O-N 3Å; I306-T310 PolarHBondContact O-OG1 3.5Å; I306-T310 VanDerWaalsContact O-OG1 3.05Å |
| 307 | S | 86.6 | Confident | 84.5 | Confident | 64 Ų | 64 | 86.9 Ų | 86.9 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | -180 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | S303 T304 L309 T310 E311 | S303-S307 PolarHBondContact O-N 3.19Å; S303-S307 PolarHBondContact O-OG 3.13Å; T304-S307 WeakPolarHBondContact CA-OG 3.19Å; T304-S307 PolarHBondContact O-OG 3.36Å; S307-L309 VanDerWaalsContact C-N 3.32Å; S307-L309 PolarHBondContact O-N 3.05Å; S307-T310 PolarHBondContact O-N 3.12Å; S307-E311 WeakPolarHBondContact O-CB 3.33Å; S307-E311 PolarHBondContact O-N 2.89Å |
| 308 | S | 87.1 | Confident | 83.8 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.2 | -32.5 | 176.8 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | T304 S305 I306 K312 | T304-S308 WeakPolarHBondContact O-CB 3.2Å; T304-S308 PolarHBondContact O-N 3.09Å; T304-S308 PolarHBondContact O-OG 3.13Å; S305-S308 PolarHBondContact O-N 3.18Å; S305-S308 PolarHBondContact O-OG 2.92Å; I306-S308 VanDerWaalsContact C-N 3.3Å; I306-S308 PolarHBondContact O-N 2.87Å; S308-K312 WeakPolarHBondContact O-CB 3.28Å; S308-K312 VanDerWaalsContact O-CG 3.28Å; S308-K312 WeakPolarHBondContact O-CG 3.22Å; S308-K312 PolarHBondContact O-N 2.91Å; S308-K312 VanDerWaalsContact O-N 3.13Å |
| 309 | L | 84.9 | Confident | 82.5 | Confident | 102 Ų | 102 | 94.7 Ų | 94.7 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.8 | -43.9 | 176.7 | -164.9 | 94.3 | 0 | 0 | 0 | 110.3 | S305 I306 S307 K312 M313 | S305-L309 WeakPolarHBondContact O-CB 3.31Å; S305-L309 PolarHBondContact O-N 3.36Å; I306-L309 WeakPolarHBondContact O-CB 3.3Å; I306-L309 PolarHBondContact O-N 2.98Å; S307-L309 VanDerWaalsContact C-N 3.32Å; S307-L309 PolarHBondContact O-N 3.05Å; L309-K312 PolarHBondContact O-N 3.37Å; L309-M313 HydrophobicContact CD2-CE 3.53Å; L309-M313 HydrophobicContact CG-CE 3.86Å; L309-M313 WeakPolarHBondContact O-CG 3.38Å; L309-M313 PolarHBondContact O-N 3.45Å |
| 310 | T | 86.6 | Confident | 81.1 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | I306 S307 M313 S314 | I306-T310 PolarHBondContact O-N 3Å; I306-T310 PolarHBondContact O-OG1 3.5Å; I306-T310 VanDerWaalsContact O-OG1 3.05Å; S307-T310 PolarHBondContact O-N 3.12Å; T310-M313 PolarHBondContact O-N 3.5Å; T310-S314 PolarHBondContact O-N 3.24Å; T310-S314 PolarHBondContact O-OG 3.14Å |
| 311 | E | 87.3 | Confident | 79.6 | Confident | 119 Ų | 119 | 87.4 Ų | 87.4 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 177 | -171.6 | -178.5 | 179 | 0 | 0 | 112.3 | S307 M313 S314 N315 | S307-E311 WeakPolarHBondContact O-CB 3.33Å; S307-E311 PolarHBondContact O-N 2.89Å; E311-M313 PolarHBondContact O-N 3.05Å; E311-S314 WeakPolarHBondContact CA-OG 3.46Å; E311-S314 PolarHBondContact O-N 3.36Å; E311-S314 PolarHBondContact O-OG 2.94Å; E311-N315 WeakPolarHBondContact O-CB 3.43Å; E311-N315 PolarHBondContact O-N 3.27Å; E311-N315 PolarHBondContact O-ND2 2.94Å |
| 312 | K | 87.1 | Confident | 78 | Confident | 148 Ų | 148 | 86.2 Ų | 86.2 | 64% | 0.643 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 172.9 | -76.6 | 177.2 | -179.5 | -173 | 0 | 111.9 | S308 L309 N315 V316 | S308-K312 WeakPolarHBondContact O-CB 3.28Å; S308-K312 VanDerWaalsContact O-CG 3.28Å; S308-K312 WeakPolarHBondContact O-CG 3.22Å; S308-K312 PolarHBondContact O-N 2.91Å; S308-K312 VanDerWaalsContact O-N 3.13Å; L309-K312 PolarHBondContact O-N 3.37Å; K312-N315 PolarHBondContact O-N 3.31Å; K312-V316 WeakPolarHBondContact O-CG2 3.02Å; K312-V316 PolarHBondContact O-N 3.03Å; K312-V316 VanDerWaalsContact O-N 3.09Å |
| 313 | M | 82.1 | Confident | 76.4 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.3 | -39.4 | 178.3 | -75.1 | -171.4 | -75.7 | 0 | 0 | 112.3 | L309 T310 E311 N315 V316 G317 | L309-M313 HydrophobicContact CD2-CE 3.53Å; L309-M313 HydrophobicContact CG-CE 3.86Å; L309-M313 WeakPolarHBondContact O-CG 3.38Å; L309-M313 PolarHBondContact O-N 3.45Å; T310-M313 PolarHBondContact O-N 3.5Å; E311-M313 PolarHBondContact O-N 3.05Å; M313-N315 VanDerWaalsContact C-N 3.34Å; M313-N315 PolarHBondContact O-N 3.16Å; M313-V316 PolarHBondContact O-N 3.21Å; M313-G317 PolarHBondContact O-N 2.96Å |
| 314 | S | 84.6 | Confident | 74.8 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 43% | 0.434 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 175 | 58.9 | 0 | 0 | 0 | 0 | 112 | T310 E311 V316 G317 T318 | T310-S314 PolarHBondContact O-N 3.24Å; T310-S314 PolarHBondContact O-OG 3.14Å; E311-S314 WeakPolarHBondContact CA-OG 3.46Å; E311-S314 PolarHBondContact O-N 3.36Å; E311-S314 PolarHBondContact O-OG 2.94Å; S314-V316 VanDerWaalsContact C-N 3.33Å; S314-V316 PolarHBondContact O-N 3.14Å; S314-G317 PolarHBondContact O-N 3.08Å; S314-T318 PolarHBondContact O-N 2.83Å; S314-T318 PolarHBondContact O-OG1 3.33Å |
| 315 | N | 80.9 | Confident | 73.2 | Confident | 91 Ų | 91 | 96 Ų | 96 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.3 | -31.1 | 178.4 | -68.2 | -12.5 | 0 | 0 | 0 | 112.7 | E311 K312 M313 T318 F319 | E311-N315 WeakPolarHBondContact O-CB 3.43Å; E311-N315 PolarHBondContact O-N 3.27Å; E311-N315 PolarHBondContact O-ND2 2.94Å; K312-N315 PolarHBondContact O-N 3.31Å; M313-N315 VanDerWaalsContact C-N 3.34Å; M313-N315 PolarHBondContact O-N 3.16Å; N315-T318 WeakPolarHBondContact CA-OG1 3.47Å; N315-T318 PolarHBondContact O-OG1 3.3Å; N315-F319 PolarHBondContact O-N 2.75Å |
| 316 | V | 77.2 | Confident | 71.7 | Confident | 108 Ų | 108 | 98.8 Ų | 98.8 | 66% | 0.655 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.2 | -39.7 | 172.5 | 172.4 | 0 | 0 | 0 | 0 | 111 | K312 M313 S314 F319 G320 | K312-V316 WeakPolarHBondContact O-CG2 3.02Å; K312-V316 PolarHBondContact O-N 3.03Å; K312-V316 VanDerWaalsContact O-N 3.09Å; M313-V316 PolarHBondContact O-N 3.21Å; S314-V316 VanDerWaalsContact C-N 3.33Å; S314-V316 PolarHBondContact O-N 3.14Å; V316-F319 PolarHBondContact O-N 2.84Å; V316-G320 PolarHBondContact O-N 3.36Å |
| 317 | G | 68.7 | Low | 70 | Confident | 43 Ų | 43 | 100.4 Ų | 100.4 | 44% | 0.443 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.1 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M313 S314 G320 Q321 | M313-G317 PolarHBondContact O-N 2.96Å; S314-G317 PolarHBondContact O-N 3.08Å; G317-G320 PolarHBondContact O-N 3.46Å; G317-Q321 PolarHBondContact O-N 3.48Å; G317-Q321 VanDerWaalsContact O-N 3.16Å |
| 318 | T | 66.9 | Low | 68 | Low | 81 Ų | 81 | 108.9 Ų | 108.9 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.7 | -36.5 | 176.6 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | S314 N315 G320 Q321 S322 | S314-T318 PolarHBondContact O-N 2.83Å; S314-T318 PolarHBondContact O-OG1 3.33Å; N315-T318 WeakPolarHBondContact CA-OG1 3.47Å; N315-T318 PolarHBondContact O-OG1 3.3Å; T318-G320 VanDerWaalsContact C-N 3.32Å; T318-G320 PolarHBondContact O-N 3.49Å; T318-Q321 PolarHBondContact O-N 2.76Å; T318-S322 PolarHBondContact O-N 2.66Å |
| 319 | F | 57.9 | Low | 67 | Low | 144 Ų | 144 | 111.9 Ų | 111.9 | 63% | 0.632 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.3 | -35.8 | 174.7 | -140.4 | -89.7 | 0 | 0 | 0 | 112.4 | N315 V316 K323 | N315-F319 PolarHBondContact O-N 2.75Å; V316-F319 PolarHBondContact O-N 2.84Å; F319-K323 PolarHBondContact O-N 3.49Å |
| 320 | G | 57.2 | Low | 66.1 | Low | 43 Ų | 43 | 112.4 Ų | 112.4 | 44% | 0.443 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.5 | -35.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V316 G317 T318 K324 | V316-G320 PolarHBondContact O-N 3.36Å; G317-G320 PolarHBondContact O-N 3.46Å; T318-G320 VanDerWaalsContact C-N 3.32Å; T318-G320 PolarHBondContact O-N 3.49Å; G320-K324 PolarHBondContact O-N 3.3Å |
| 321 | Q | 56.2 | Low | 64.9 | Low | 141 Ų | 141 | 114.2 Ų | 114.2 | 66% | 0.659 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.8 | -43.6 | 174.6 | -76.2 | -173.5 | -14.6 | 0 | 0 | 112.2 | G317 T318 K323 K324 S325 | G317-Q321 PolarHBondContact O-N 3.48Å; G317-Q321 VanDerWaalsContact O-N 3.16Å; T318-Q321 PolarHBondContact O-N 2.76Å; Q321-K323 VanDerWaalsContact C-N 3.27Å; Q321-K323 PolarHBondContact O-N 2.99Å; Q321-K324 PolarHBondContact O-N 3.11Å; Q321-S325 PolarHBondContact O-N 3.06Å; Q321-S325 PolarHBondContact O-OG 3.22Å |
| 322 | S | 52.7 | Low | 63.6 | Low | 79 Ų | 79 | 113.9 Ų | 113.9 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.6 | -36.8 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | T318 S325 T326 | T318-S322 PolarHBondContact O-N 2.66Å; S322-S325 PolarHBondContact O-N 3.29Å; S322-T326 PolarHBondContact O-OG1 3.12Å; S322-T326 VanDerWaalsContact O-OG1 3.12Å |
| 323 | K | 52.4 | Low | 62.1 | Low | 144 Ų | 144 | 111.8 Ų | 111.8 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.6 | -35.2 | 174.1 | -83.4 | -172.7 | 175.1 | -176.9 | 0 | 113.9 | F319 Q321 S325 T326 T327 | F319-K323 PolarHBondContact O-N 3.49Å; Q321-K323 VanDerWaalsContact C-N 3.27Å; Q321-K323 PolarHBondContact O-N 2.99Å; K323-S325 VanDerWaalsContact C-N 3.33Å; K323-T326 PolarHBondContact O-N 3.24Å; K323-T327 PolarHBondContact O-OG1 3.3Å; K323-T327 VanDerWaalsContact O-OG1 3.11Å |
| 324 | K | 54.8 | Low | 60.8 | Low | 164 Ų | 164 | 111.7 Ų | 111.7 | 71% | 0.713 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.4 | -35.9 | 178 | -83 | -173.4 | 175.8 | -176.6 | 0 | 111.9 | G320 Q321 T326 T327 | G320-K324 PolarHBondContact O-N 3.3Å; Q321-K324 PolarHBondContact O-N 3.11Å; K324-T326 PolarHBondContact O-N 3.33Å; K324-T327 PolarHBondContact O-N 3.41Å; K324-T327 PolarHBondContact O-OG1 3.27Å |
| 325 | S | 54.8 | Low | 59.1 | Low | 97 Ų | 97 | 115.3 Ų | 115.3 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -15.8 | 179.2 | -52.7 | 0 | 0 | 0 | 0 | 114.4 | Q321 S322 K323 | Q321-S325 PolarHBondContact O-N 3.06Å; Q321-S325 PolarHBondContact O-OG 3.22Å; S322-S325 PolarHBondContact O-N 3.29Å; K323-S325 VanDerWaalsContact C-N 3.33Å |
| 326 | T | 53.7 | Low | 57.4 | Low | 112 Ų | 112 | 117.2 Ų | 117.2 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 2.9 | 178.1 | -23.8 | 0 | 0 | 0 | 0 | 113.5 | S322 K323 K324 | S322-T326 PolarHBondContact O-OG1 3.12Å; S322-T326 VanDerWaalsContact O-OG1 3.12Å; K323-T326 PolarHBondContact O-N 3.24Å; K324-T326 PolarHBondContact O-N 3.33Å |
| 327 | T | 50.6 | Low | 55.8 | Low | 124 Ų | 124 | 117.9 Ų | 117.9 | 76% | 0.761 | 65% | 0.652 | S | S | * | * | trans | -117.5 | 13.5 | -178.2 | 21.3 | 0 | 0 | 0 | 0 | 114.3 | K323 K324 | K323-T327 PolarHBondContact O-OG1 3.3Å; K323-T327 VanDerWaalsContact O-OG1 3.11Å; K324-T327 PolarHBondContact O-N 3.41Å; K324-T327 PolarHBondContact O-OG1 3.27Å | ||
| 328 | Q | 43.6 | Very low | 54.6 | Low | 243 Ų | 243 | 124.7 Ų | 124.7 | 100% | 1.136 | 67% | 0.671 | S | S | * | * | trans | -100.8 | 0 | 157.8 | -81.6 | -176.1 | -28.5 | 0 | 0 | 108.2 |
Retrieved 328 of 328 residues in 189.4 ms
(Link to these results)