| 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 | 36.8 | Very low | 63.5 | Low | 243 Ų | 243 | 121.3 Ų | 121.3 | 100% | 1.197 | 66% | 0.659 | S | S | * | * | 0 | 100 | 0 | -78 | 178.9 | 153.4 | 0 | 0 | 107.4 | A3 | M1-A3 PolarHBondContact O-N 3.11Š| |||
| 2 | D | 47.3 | Very low | 65.4 | Low | 162 Ų | 162 | 118.3 Ų | 118.3 | 87% | 0.866 | 64% | 0.642 | S | S | * | * | trans | -65.7 | 85.9 | 168.8 | -81.2 | -32.3 | 0 | 0 | 0 | 107.8 | T4 | D2-T4 PolarHBondContact O-N 3.44Š| ||
| 3 | A | 52.1 | Low | 67.2 | Low | 80 Ų | 80 | 115.6 Ų | 115.6 | 66% | 0.661 | 63% | 0.625 | S | S | * | * | trans | -58.9 | 100.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 104 | M1 V5 | M1-A3 PolarHBondContact O-N 3.11Å; A3-V5 PolarHBondContact O-N 3.28Å | ||
| 4 | T | 53.4 | Low | 68.6 | Low | 118 Ų | 118 | 115.4 Ų | 115.4 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | trans | -53.3 | 92.8 | 164.9 | 45.2 | 0 | 0 | 0 | 0 | 105 | D2 K6 | D2-T4 PolarHBondContact O-N 3.44Å; T4-K6 PolarHBondContact O-N 3.2Å | ||
| 5 | V | 58 | Low | 69.9 | Low | 124 Ų | 124 | 108.3 Ų | 108.3 | 75% | 0.752 | 59% | 0.585 | S | S | * | * | trans | -59.8 | 98.1 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 102.7 | A3 R7 | A3-V5 PolarHBondContact O-N 3.28Å; V5-R7 PolarHBondContact O-N 2.8Å | ||
| 6 | K | 57.8 | Low | 71.1 | Confident | 190 Ų | 190 | 109.6 Ų | 109.6 | 83% | 0.826 | 58% | 0.583 | S | S | * | * | trans | -58.7 | 99.3 | 178.8 | -81.7 | -173.8 | 177.2 | 179.8 | 0 | 104.3 | T4 | T4-K6 PolarHBondContact O-N 3.2Š| ||
| 7 | R | 64.2 | Low | 72.2 | Confident | 168 Ų | 168 | 110.8 Ų | 110.8 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | trans | -54.7 | 128.9 | 176.3 | -68.8 | -177.6 | -179.2 | 168.9 | 1.9 | 105 | V5 L9 | V5-R7 PolarHBondContact O-N 2.8Å; R7-L9 PolarHBondContact O-N 3.07Å | ||
| 8 | P | 76.2 | Confident | 73.2 | Confident | 53 Ų | 53 | 106 Ų | 106 | 34% | 0.344 | 56% | 0.555 | S | S | . | * | trans | -73.5 | 74.5 | -173.9 | 31.3 | -36.3 | 0 | 0 | 0 | 108.8 | G10 L11 L12 | P8-G10 PolarHBondContact O-N 3.21Å; P8-L11 HydrophobicContact CB-CB 3.78Å; P8-L11 HydrophobicContact CB-CD2 4.48Å; P8-L11 HydrophobicContact CG-CB 4.12Å; P8-L11 HydrophobicContact CG-CD2 4.12Å; P8-L11 WeakPolarHBondContact O-CA 3.34Å; P8-L11 VanDerWaalsContact O-CB 3.29Å; P8-L11 WeakPolarHBondContact O-CB 3.46Å; P8-L11 PolarHBondContact O-N 3.39Å; P8-L12 PolarHBondContact O-N 3.26Å; P8-L12 VanDerWaalsContact O-N 3.13Å | ||
| 9 | L | 81.7 | Confident | 73.9 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.2 | -36.9 | -177.9 | -165.1 | 111 | 0 | 0 | 0 | 110.1 | R7 L11 L12 I13 | R7-L9 PolarHBondContact O-N 3.07Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.94Å; L9-L12 WeakPolarHBondContact O-CB 3.39Å; L9-L12 PolarHBondContact O-N 2.94Å; L9-I13 HydrophobicContact CD2-CD1 3.85Å; L9-I13 HydrophobicContact CG-CD1 4.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; L9-I13 PolarHBondContact O-N 2.89Å |
| 10 | G | 86.1 | Confident | 74.6 | Confident | 44 Ų | 44 | 103 Ų | 103 | 45% | 0.454 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | P8 I13 L14 | P8-G10 PolarHBondContact O-N 3.21Å; G10-I13 PolarHBondContact O-N 3.36Å; G10-L14 WeakPolarHBondContact O-CB 3.36Å; G10-L14 VanDerWaalsContact O-CG 3.23Å; G10-L14 WeakPolarHBondContact O-CG 3.37Å; G10-L14 PolarHBondContact O-N 3.3Å |
| 11 | L | 85.1 | Confident | 75.3 | Confident | 31 Ų | 31 | 103.8 Ų | 103.8 | 16% | 0.162 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 175.3 | -178.6 | 66.4 | 0 | 0 | 0 | 111.2 | P8 L9 L14 L15 L77 T124 R128 | P8-L11 HydrophobicContact CB-CB 3.78Å; P8-L11 HydrophobicContact CB-CD2 4.48Å; P8-L11 HydrophobicContact CG-CB 4.12Å; P8-L11 HydrophobicContact CG-CD2 4.12Å; P8-L11 WeakPolarHBondContact O-CA 3.34Å; P8-L11 VanDerWaalsContact O-CB 3.29Å; P8-L11 WeakPolarHBondContact O-CB 3.46Å; P8-L11 PolarHBondContact O-N 3.39Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.89Å; L11-L15 HydrophobicContact CD1-CD1 4.43Å; L11-L15 HydrophobicContact CD1-CG 4.28Å; L11-L15 HydrophobicContact CG-CD1 4.02Å; L11-L15 HydrophobicContact CG-CG 4.29Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 VanDerWaalsContact O-CG 3.25Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 3.31Å; L11-L77 HydrophobicContact CD1-CD1 4.47Å; L11-T124 HydrophobicContact CD2-CG2 4.43Å; L11-R128 HydrophobicContact CD2-CB 3.95Å; L11-R128 HydrophobicContact CD2-CG 4.33Å |
| 12 | L | 86.3 | Confident | 77.8 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 45% | 0.445 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 177.3 | -178.5 | 67 | 0 | 0 | 0 | 111.6 | P8 L9 L14 L15 F16 L125 I129 | P8-L12 PolarHBondContact O-N 3.26Å; P8-L12 VanDerWaalsContact O-N 3.13Å; L9-L12 WeakPolarHBondContact O-CB 3.39Å; L9-L12 PolarHBondContact O-N 2.94Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.17Å; L12-L15 PolarHBondContact O-N 3.41Å; L12-F16 WeakPolarHBondContact O-CB 3.46Å; L12-F16 PolarHBondContact O-N 3.39Å; L12-L125 HydrophobicContact CD1-CD1 4.48Å; L12-I129 HydrophobicContact CB-CD1 4.26Å; L12-I129 HydrophobicContact CD1-CD1 3.96Å |
| 13 | I | 88.2 | Confident | 79.6 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 43% | 0.431 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 177 | -66.7 | 165.6 | 0 | 0 | 0 | 110.4 | L9 G10 F16 W17 | L9-I13 HydrophobicContact CD2-CD1 3.85Å; L9-I13 HydrophobicContact CG-CD1 4.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; L9-I13 PolarHBondContact O-N 2.89Å; G10-I13 PolarHBondContact O-N 3.36Å; I13-F16 PolarHBondContact O-N 3.43Å; I13-W17 VanDerWaalsContact O-CD1 3.3Å; I13-W17 PolarHBondContact O-N 2.95Å |
| 14 | L | 87.6 | Confident | 81.3 | Confident | 112 Ų | 112 | 86.2 Ų | 86.2 | 59% | 0.586 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 177.2 | -73.7 | 167.9 | 0 | 0 | 0 | 112.2 | G10 L11 L12 F16 W17 S18 | G10-L14 WeakPolarHBondContact O-CB 3.36Å; G10-L14 VanDerWaalsContact O-CG 3.23Å; G10-L14 WeakPolarHBondContact O-CG 3.37Å; G10-L14 PolarHBondContact O-N 3.3Å; L11-L14 PolarHBondContact O-N 2.89Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.17Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.37Å; L14-W17 PolarHBondContact O-N 2.95Å; L14-S18 WeakPolarHBondContact O-CB 3.35Å; L14-S18 PolarHBondContact O-N 3.3Å; L14-S18 PolarHBondContact O-OG 3.24Å |
| 15 | L | 87.8 | Confident | 83 | Confident | 10 Ų | 10 | 81.2 Ų | 81.2 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 177 | -73.9 | 172.9 | 0 | 0 | 0 | 111.4 | L11 L12 Y19 F80 I121 T124 | L11-L15 HydrophobicContact CD1-CD1 4.43Å; L11-L15 HydrophobicContact CD1-CG 4.28Å; L11-L15 HydrophobicContact CG-CD1 4.02Å; L11-L15 HydrophobicContact CG-CG 4.29Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 VanDerWaalsContact O-CG 3.25Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 3.41Å; L15-Y19 VanDerWaalsContact O-CB 3.3Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 PolarHBondContact O-N 2.79Å; L15-F80 HydrophobicContact CD2-CD1 4.35Å; L15-F80 HydrophobicContact CD2-CE1 4.18Å; L15-I121 HydrophobicContact CD2-CG1 4.24Å; L15-I121 HydrophobicContact CD2-CG2 4.47Å; L15-T124 HydrophobicContact CD1-CG2 4.16Å; L15-T124 HydrophobicContact CD2-CG2 4.49Å |
| 16 | F | 88.3 | Confident | 84.4 | Confident | 129 Ų | 129 | 78.1 Ų | 78.1 | 57% | 0.566 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60 | -55 | 176.2 | 175.6 | -94.1 | 0 | 0 | 0 | 111.5 | L12 I13 L14 S18 Y19 F20 | L12-F16 WeakPolarHBondContact O-CB 3.46Å; L12-F16 PolarHBondContact O-N 3.39Å; I13-F16 PolarHBondContact O-N 3.43Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.37Å; F16-S18 PolarHBondContact O-N 3.08Å; F16-Y19 PolarHBondContact O-N 3.29Å; F16-F20 PolarHBondContact O-N 3.27Å |
| 17 | W | 90.6 | Very high | 85.7 | Confident | 129 Ų | 129 | 73.4 Ų | 73.4 | 49% | 0.489 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | -179.6 | -78.3 | 116.1 | 0 | 0 | 0 | 112.3 | I13 L14 Y19 F20 F21 | I13-W17 VanDerWaalsContact O-CD1 3.3Å; I13-W17 PolarHBondContact O-N 2.95Å; L14-W17 PolarHBondContact O-N 2.95Å; W17-Y19 VanDerWaalsContact C-N 3.33Å; W17-Y19 PolarHBondContact O-N 3.35Å; W17-F20 HydrophobicContact CE3-CB 4.43Å; W17-F20 AromaticContact CE3-CD1 3.99Å; W17-F20 HydrophobicContact CE3-CD1 3.99Å; W17-F20 HydrophobicContact CE3-CG 4.36Å; W17-F20 AromaticContact CZ3-CD1 4Å; W17-F20 HydrophobicContact CZ3-CD1 4Å; W17-F20 HydrophobicContact CZ3-CE1 4.22Å; W17-F20 HydrophobicContact CZ3-CG 4.44Å; W17-F20 WeakPolarHBondContact O-CB 3.03Å; W17-F20 PolarHBondContact O-N 3.04Å; W17-F21 HydrophobicContact CB-CE2 4.41Å; W17-F21 HydrophobicContact CE3-CE2 4.28Å; W17-F21 WeakPolarHBondContact O-CD2 3.33Å; W17-F21 PolarHBondContact O-N 3.1Å |
| 18 | S | 89.8 | Confident | 86.8 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | L14 F16 F20 F21 T22 F80 | L14-S18 WeakPolarHBondContact O-CB 3.35Å; L14-S18 PolarHBondContact O-N 3.3Å; L14-S18 PolarHBondContact O-OG 3.24Å; F16-S18 PolarHBondContact O-N 3.08Å; S18-F20 PolarHBondContact O-N 3.26Å; S18-F21 PolarHBondContact O-N 2.87Å; S18-T22 WeakPolarHBondContact O-CG2 3.47Å; S18-T22 PolarHBondContact O-N 2.94Å; S18-T22 PolarHBondContact O-OG1 2.98Å; S18-F80 VanDerWaalsContact CB-CE1 3.42Å |
| 19 | Y | 86.7 | Confident | 87.1 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 25% | 0.251 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.3 | -175.3 | -112.2 | 0 | 0 | 0 | 112.5 | L15 F16 W17 F21 T22 S23 W118 I121 | L15-Y19 VanDerWaalsContact O-CB 3.3Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 PolarHBondContact O-N 2.79Å; F16-Y19 PolarHBondContact O-N 3.29Å; W17-Y19 VanDerWaalsContact C-N 3.33Å; W17-Y19 PolarHBondContact O-N 3.35Å; Y19-F21 PolarHBondContact O-N 2.99Å; Y19-T22 WeakPolarHBondContact CA-OG1 3.18Å; Y19-T22 PolarHBondContact O-N 3.44Å; Y19-T22 PolarHBondContact O-OG1 3.42Å; Y19-S23 WeakPolarHBondContact O-CB 3.31Å; Y19-S23 PolarHBondContact O-N 2.88Å; Y19-S23 PolarHBondContact O-OG 2.91Å; Y19-W118 AromaticContact CD2-CE3 3.83Å; Y19-W118 HydrophobicContact CD2-CE3 3.83Å; Y19-W118 HydrophobicContact CD2-CZ3 4.16Å; Y19-W118 HydrophobicContact CE1-CZ3 4.36Å; Y19-W118 HydrophobicContact CE2-CD2 4.11Å; Y19-W118 AromaticContact CE2-CE3 3.28Å; Y19-W118 HydrophobicContact CE2-CE3 3.28Å; Y19-W118 AromaticContact CE2-CZ3 3.75Å; Y19-W118 HydrophobicContact CE2-CZ3 3.75Å; Y19-W118 AromaticContact CZ-CE3 3.74Å; Y19-W118 AromaticContact CZ-CZ3 3.85Å; Y19-I121 HydrophobicContact CD2-CD1 3.51Å; Y19-I121 HydrophobicContact CE2-CD1 4.49Å; Y19-I121 HydrophobicContact CG-CD1 4.06Å |
| 20 | F | 87.8 | Confident | 87.2 | Confident | 88 Ų | 88 | 62 Ų | 62 | 39% | 0.386 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.3 | -50.4 | 173.8 | 175.7 | -97.2 | 0 | 0 | 0 | 111.3 | F16 W17 S18 T22 S23 L24 | F16-F20 PolarHBondContact O-N 3.27Å; W17-F20 HydrophobicContact CE3-CB 4.43Å; W17-F20 AromaticContact CE3-CD1 3.99Å; W17-F20 HydrophobicContact CE3-CD1 3.99Å; W17-F20 HydrophobicContact CE3-CG 4.36Å; W17-F20 AromaticContact CZ3-CD1 4Å; W17-F20 HydrophobicContact CZ3-CD1 4Å; W17-F20 HydrophobicContact CZ3-CE1 4.22Å; W17-F20 HydrophobicContact CZ3-CG 4.44Å; W17-F20 WeakPolarHBondContact O-CB 3.03Å; W17-F20 PolarHBondContact O-N 3.04Å; S18-F20 PolarHBondContact O-N 3.26Å; F20-T22 PolarHBondContact O-N 2.86Å; F20-S23 WeakPolarHBondContact O-CB 3.32Å; F20-S23 PolarHBondContact O-N 3.37Å; F20-S23 VanDerWaalsContact O-N 3.14Å; F20-L24 HydrophobicContact CD1-CD1 3.96Å; F20-L24 HydrophobicContact CE1-CD1 3.37Å; F20-L24 HydrophobicContact CE1-CG 4.2Å; F20-L24 HydrophobicContact CZ-CD1 3.74Å; F20-L24 HydrophobicContact CZ-CG 4.27Å; F20-L24 PolarHBondContact O-N 2.88Å |
| 21 | F | 89.3 | Confident | 87 | Confident | 120 Ų | 120 | 63.7 Ų | 63.7 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 177.3 | -70.1 | -62 | 0 | 0 | 0 | 113 | W17 S18 Y19 S23 L24 A25 | W17-F21 HydrophobicContact CB-CE2 4.41Å; W17-F21 HydrophobicContact CE3-CE2 4.28Å; W17-F21 WeakPolarHBondContact O-CD2 3.33Å; W17-F21 PolarHBondContact O-N 3.1Å; S18-F21 PolarHBondContact O-N 2.87Å; Y19-F21 PolarHBondContact O-N 2.99Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 2.74Å; F21-L24 HydrophobicContact CD1-CD1 4.27Å; F21-L24 PolarHBondContact O-N 3.22Å; F21-A25 WeakPolarHBondContact O-CB 3.45Å; F21-A25 PolarHBondContact O-N 3.45Å |
| 22 | T | 88.7 | Confident | 86.8 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -34.3 | 173.5 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | S18 Y19 F20 A25 R26 F80 L84 L114 | S18-T22 WeakPolarHBondContact O-CG2 3.47Å; S18-T22 PolarHBondContact O-N 2.94Å; S18-T22 PolarHBondContact O-OG1 2.98Å; Y19-T22 WeakPolarHBondContact CA-OG1 3.18Å; Y19-T22 PolarHBondContact O-N 3.44Å; Y19-T22 PolarHBondContact O-OG1 3.42Å; F20-T22 PolarHBondContact O-N 2.86Å; T22-A25 PolarHBondContact O-N 2.99Å; T22-R26 WeakPolarHBondContact O-CB 3.4Å; T22-R26 PolarHBondContact O-N 3.47Å; T22-F80 HydrophobicContact CG2-CE2 4.32Å; T22-L84 HydrophobicContact CG2-CD1 3.38Å; T22-L114 HydrophobicContact CG2-CD2 3.76Å |
| 23 | S | 86.7 | Confident | 86.2 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.5 | -38.2 | 177.5 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | Y19 F20 F21 R27 | Y19-S23 WeakPolarHBondContact O-CB 3.31Å; Y19-S23 PolarHBondContact O-N 2.88Å; Y19-S23 PolarHBondContact O-OG 2.91Å; F20-S23 WeakPolarHBondContact O-CB 3.32Å; F20-S23 PolarHBondContact O-N 3.37Å; F20-S23 VanDerWaalsContact O-N 3.14Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 2.74Å; S23-R27 PolarHBondContact O-N 3.45Å |
| 24 | L | 86.8 | Confident | 85.4 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 41% | 0.408 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 171 | -71.9 | 178.2 | 0 | 0 | 0 | 111.3 | F20 F21 R26 R27 A28 | F20-L24 HydrophobicContact CD1-CD1 3.96Å; F20-L24 HydrophobicContact CE1-CD1 3.37Å; F20-L24 HydrophobicContact CE1-CG 4.2Å; F20-L24 HydrophobicContact CZ-CD1 3.74Å; F20-L24 HydrophobicContact CZ-CG 4.27Å; F20-L24 PolarHBondContact O-N 2.88Å; F21-L24 HydrophobicContact CD1-CD1 4.27Å; F21-L24 PolarHBondContact O-N 3.22Å; L24-R26 VanDerWaalsContact C-N 3.31Å; L24-R26 PolarHBondContact O-N 2.87Å; L24-R27 CarbonylContact O-C 3.46Å; L24-R27 PolarHBondContact O-N 2.76Å; L24-A28 WeakPolarHBondContact O-CA 3.41Å; L24-A28 PolarHBondContact O-N 2.66Å |
| 25 | A | 89.2 | Confident | 85 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.1 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F21 T22 R27 A28 L91 L114 | F21-A25 WeakPolarHBondContact O-CB 3.45Å; F21-A25 PolarHBondContact O-N 3.45Å; T22-A25 PolarHBondContact O-N 2.99Å; A25-R27 VanDerWaalsContact C-N 3.25Å; A25-R27 PolarHBondContact O-N 3.25Å; A25-A28 PolarHBondContact O-N 3.2Å; A25-L91 HydrophobicContact CB-CD1 3.57Å; A25-L114 HydrophobicContact CB-CD1 3.88Å |
| 26 | R | 87.5 | Confident | 84.3 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -30.2 | 178.4 | -174.9 | 178.9 | 60.3 | 109.7 | -5.6 | 113.5 | T22 L24 Y107 L114 | T22-R26 WeakPolarHBondContact O-CB 3.4Å; T22-R26 PolarHBondContact O-N 3.47Å; L24-R26 VanDerWaalsContact C-N 3.31Å; L24-R26 PolarHBondContact O-N 2.87Å; R26-Y107 PolarHBondContact O-OH 2.95Å; R26-L114 HydrophobicContact CB-CD1 3.99Å |
| 27 | R | 86 | Confident | 83.3 | Confident | 92 Ų | 92 | 65.8 Ų | 65.8 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -108.2 | 5.9 | -175.9 | -67.7 | -178.1 | 174.7 | -92 | 9.2 | 113.1 | S23 L24 A25 I29 Q30 N31 | S23-R27 PolarHBondContact O-N 3.45Å; L24-R27 CarbonylContact O-C 3.46Å; L24-R27 PolarHBondContact O-N 2.76Å; A25-R27 VanDerWaalsContact C-N 3.25Å; A25-R27 PolarHBondContact O-N 3.25Å; R27-I29 PolarHBondContact O-N 2.86Å; R27-Q30 PolarHBondContact O-N 3.32Å; R27-N31 WeakPolarHBondContact O-CB 3.44Å; R27-N31 PolarHBondContact O-N 2.89Å |
| 28 | A | 86.3 | Confident | 82.2 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.7 | -52.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L24 A25 N31 I32 | L24-A28 WeakPolarHBondContact O-CA 3.41Å; L24-A28 PolarHBondContact O-N 2.66Å; A25-A28 PolarHBondContact O-N 3.2Å; A28-N31 PolarHBondContact O-N 3.46Å; A28-I32 WeakPolarHBondContact O-CB 3.4Å; A28-I32 WeakPolarHBondContact O-CD1 3.33Å; A28-I32 WeakPolarHBondContact O-CG1 3.34Å; A28-I32 PolarHBondContact O-N 3.12Å; A28-I32 VanDerWaalsContact O-N 3.09Å |
| 29 | I | 83.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 72.4 Ų | 72.4 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 179 | -66 | -58.1 | 0 | 0 | 0 | 111.4 | R27 N31 I32 Y33 L49 I53 L94 W103 Y107 | R27-I29 PolarHBondContact O-N 2.86Å; I29-N31 VanDerWaalsContact C-N 3.31Å; I29-N31 PolarHBondContact O-N 3.39Å; I29-I32 PolarHBondContact O-N 3.37Å; I29-Y33 VanDerWaalsContact O-CB 3.27Å; I29-Y33 WeakPolarHBondContact O-CB 3.47Å; I29-Y33 PolarHBondContact O-N 3.49Å; I29-L49 HydrophobicContact CG2-CD1 3.63Å; I29-I53 HydrophobicContact CG2-CG1 4.28Å; I29-L94 HydrophobicContact CD1-CD2 4Å; I29-L94 HydrophobicContact CG1-CD2 4.27Å; I29-W103 HydrophobicContact CD1-CE3 4.11Å; I29-W103 HydrophobicContact CD1-CH2 4.42Å; I29-W103 HydrophobicContact CD1-CZ3 3.61Å; I29-Y107 HydrophobicContact CB-CE1 3.97Å; I29-Y107 HydrophobicContact CB-CE2 4.07Å; I29-Y107 HydrophobicContact CG1-CD1 4.24Å; I29-Y107 HydrophobicContact CG1-CD2 3.76Å; I29-Y107 HydrophobicContact CG1-CE1 4.07Å; I29-Y107 HydrophobicContact CG1-CE2 3.57Å; I29-Y107 HydrophobicContact CG1-CG 4.1Å |
| 30 | Q | 82.9 | Confident | 79.6 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 178.7 | -69.5 | 178.6 | -20.4 | 0 | 0 | 112 | R27 I53 | R27-Q30 PolarHBondContact O-N 3.32Å; Q30-I53 HydrophobicContact CG-CD1 4.08Å; Q30-I53 HydrophobicContact CG-CG1 4.34Å; Q30-I53 HydrophobicContact CG-CG2 4.34Å |
| 31 | N | 82.1 | Confident | 78.4 | Confident | 79 Ų | 79 | 75.8 Ų | 75.8 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.3 | -36.3 | -178.5 | -69.9 | -7.9 | 0 | 0 | 0 | 112.2 | R27 A28 I29 H34 | R27-N31 WeakPolarHBondContact O-CB 3.44Å; R27-N31 PolarHBondContact O-N 2.89Å; A28-N31 PolarHBondContact O-N 3.46Å; I29-N31 VanDerWaalsContact C-N 3.31Å; I29-N31 PolarHBondContact O-N 3.39Å; N31-H34 PolarHBondContact O-CE1 3.35Å; N31-H34 PolarHBondContact O-ND1 3.11Å |
| 32 | I | 81.2 | Confident | 76.9 | Confident | 90 Ų | 90 | 72.3 Ų | 72.3 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -86.9 | -20.3 | -176.3 | -65.4 | 164 | 0 | 0 | 0 | 111.7 | A28 I29 H34 I35 I36 | A28-I32 WeakPolarHBondContact O-CB 3.4Å; A28-I32 WeakPolarHBondContact O-CD1 3.33Å; A28-I32 WeakPolarHBondContact O-CG1 3.34Å; A28-I32 PolarHBondContact O-N 3.12Å; A28-I32 VanDerWaalsContact O-N 3.09Å; I29-I32 PolarHBondContact O-N 3.37Å; I32-H34 VanDerWaalsContact C-N 3.3Å; I32-H34 PolarHBondContact O-N 2.75Å; I32-H34 VanDerWaalsContact O-N 3.1Å; I32-I35 WeakPolarHBondContact O-CA 3.26Å; I32-I35 WeakPolarHBondContact O-CB 3.5Å; I32-I35 PolarHBondContact O-N 2.59Å; I32-I36 HydrophobicContact CG2-CD1 4.42Å; I32-I36 HydrophobicContact CG2-CG1 3.94Å; I32-I36 PolarHBondContact O-N 3.35Å |
| 33 | Y | 73.5 | Confident | 75.4 | Confident | 46 Ų | 46 | 79.3 Ų | 79.3 | 18% | 0.18 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -42.8 | -169.3 | -179.9 | -115.8 | 0 | 0 | 0 | 115.2 | I29 I35 I36 K41 N46 L49 | I29-Y33 VanDerWaalsContact O-CB 3.27Å; I29-Y33 WeakPolarHBondContact O-CB 3.47Å; I29-Y33 PolarHBondContact O-N 3.49Å; Y33-I35 PolarHBondContact O-N 3.09Å; Y33-I36 HydrophobicContact CD2-CD1 4.36Å; Y33-I36 PolarHBondContact O-N 3.47Å; Y33-K41 WeakPolarHBondContact O-CE 3.46Å; Y33-K41 PolarHBondContact O-NZ 3.49Å; Y33-N46 PolarHBondContact OH-OD1 2.88Å; Y33-L49 HydrophobicContact CD1-CD2 3.61Å; Y33-L49 HydrophobicContact CD2-CD1 3.29Å; Y33-L49 HydrophobicContact CD2-CD2 3.21Å; Y33-L49 HydrophobicContact CD2-CG 3.75Å; Y33-L49 HydrophobicContact CE1-CD2 3.62Å; Y33-L49 HydrophobicContact CE2-CB 4.04Å; Y33-L49 HydrophobicContact CE2-CD1 3.59Å; Y33-L49 HydrophobicContact CE2-CD2 3.24Å; Y33-L49 HydrophobicContact CE2-CG 3.75Å; Y33-L49 HydrophobicContact CG-CD1 4.14Å; Y33-L49 HydrophobicContact CG-CD2 3.4Å; Y33-L49 VanDerWaalsContact CG-CD2 3.4Å; Y33-L49 HydrophobicContact CG-CG 4.35Å; Y33-L49 VanDerWaalsContact CZ-CD2 3.44Å |
| 34 | H | 71.6 | Confident | 73.9 | Confident | 140 Ų | 140 | 85.2 Ų | 85.2 | 65% | 0.648 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.3 | -179.1 | 65.1 | -83.2 | 0 | 0 | 0 | 112.7 | N31 I32 | N31-H34 PolarHBondContact O-CE1 3.35Å; N31-H34 PolarHBondContact O-ND1 3.11Å; I32-H34 VanDerWaalsContact C-N 3.3Å; I32-H34 PolarHBondContact O-N 2.75Å; I32-H34 VanDerWaalsContact O-N 3.1Å |
| 35 | I | 79.1 | Confident | 73.2 | Confident | 116 Ų | 116 | 82.4 Ų | 82.4 | 60% | 0.595 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -22.7 | -178.9 | -50.8 | 174 | 0 | 0 | 0 | 111.7 | I32 Y33 P37 | I32-I35 WeakPolarHBondContact O-CA 3.26Å; I32-I35 WeakPolarHBondContact O-CB 3.5Å; I32-I35 PolarHBondContact O-N 2.59Å; Y33-I35 PolarHBondContact O-N 3.09Å; I35-P37 WeakPolarHBondContact O-CD 3.39Å |
| 36 | I | 72.9 | Confident | 72.6 | Confident | 35 Ų | 35 | 87.3 Ų | 87.3 | 18% | 0.179 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -59.1 | 123.6 | -179.1 | -60.8 | 178.7 | 0 | 0 | 0 | 109.4 | I32 Y33 K41 | I32-I36 HydrophobicContact CG2-CD1 4.42Å; I32-I36 HydrophobicContact CG2-CG1 3.94Å; I32-I36 PolarHBondContact O-N 3.35Å; Y33-I36 HydrophobicContact CD2-CD1 4.36Å; Y33-I36 PolarHBondContact O-N 3.47Å; I36-K41 HydrophobicContact CG2-CG 4.17Å; I36-K41 WeakPolarHBondContact O-CE 3.33Å; I36-K41 PolarHBondContact O-NZ 2.92Å |
| 37 | P | 67.7 | Low | 72.4 | Confident | 68 Ų | 68 | 89.5 Ų | 89.5 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | trans | -59.9 | 143.5 | -179.5 | -21.4 | 30.1 | 0 | 0 | 0 | 111.9 | I35 Q39 Y40 K41 | I35-P37 WeakPolarHBondContact O-CD 3.39Å; P37-Q39 PolarHBondContact O-N 3.37Å; P37-Q39 VanDerWaalsContact O-N 3.08Å; P37-Y40 HydrophobicContact CB-CD2 3.98Å; P37-Y40 HydrophobicContact CG-CD2 3.91Å; P37-Y40 HydrophobicContact CG-CE2 4.25Å; P37-Y40 PolarHBondContact O-N 2.96Å; P37-K41 PolarHBondContact O-N 2.83Å | ||
| 38 | V | 66.9 | Low | 72.2 | Confident | 115 Ų | 115 | 88.6 Ų | 88.6 | 70% | 0.697 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -55.7 | -30.2 | -179.9 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | Y40 K41 G42 | V38-Y40 VanDerWaalsContact C-N 3.29Å; V38-Y40 PolarHBondContact O-N 3.32Å; V38-K41 WeakPolarHBondContact O-CA 2.86Å; V38-K41 WeakPolarHBondContact O-CB 3.32Å; V38-K41 PolarHBondContact O-N 2.98Å; V38-G42 PolarHBondContact O-N 3.19Å |
| 39 | Q | 61 | Low | 71.9 | Confident | 178 Ų | 178 | 88.4 Ų | 88.4 | 83% | 0.832 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.7 | -36.9 | 175.6 | -65.3 | 174 | -11 | 0 | 0 | 113 | P37 | P37-Q39 PolarHBondContact O-N 3.37Å; P37-Q39 VanDerWaalsContact O-N 3.08Å |
| 40 | Y | 61.3 | Low | 72 | Confident | 186 Ų | 186 | 89.4 Ų | 89.4 | 73% | 0.729 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -84.6 | -15.4 | 174.3 | -67 | -79.3 | 0 | 0 | 0 | 112.8 | P37 V38 | P37-Y40 HydrophobicContact CB-CD2 3.98Å; P37-Y40 HydrophobicContact CG-CD2 3.91Å; P37-Y40 HydrophobicContact CG-CE2 4.25Å; P37-Y40 PolarHBondContact O-N 2.96Å; V38-Y40 VanDerWaalsContact C-N 3.29Å; V38-Y40 PolarHBondContact O-N 3.32Å |
| 41 | K | 62.7 | Low | 72.2 | Confident | 36 Ų | 36 | 88.5 Ų | 88.5 | 16% | 0.157 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -73.1 | -49.4 | 179.2 | -73.4 | 175.3 | 167.7 | 154.7 | 0 | 110.6 | Y33 I36 P37 V38 S45 | Y33-K41 WeakPolarHBondContact O-CE 3.46Å; Y33-K41 PolarHBondContact O-NZ 3.49Å; I36-K41 HydrophobicContact CG2-CG 4.17Å; I36-K41 WeakPolarHBondContact O-CE 3.33Å; I36-K41 PolarHBondContact O-NZ 2.92Å; P37-K41 PolarHBondContact O-N 2.83Å; V38-K41 WeakPolarHBondContact O-CA 2.86Å; V38-K41 WeakPolarHBondContact O-CB 3.32Å; V38-K41 PolarHBondContact O-N 2.98Å; K41-S45 WeakPolarHBondContact CA-OG 3.24Å; K41-S45 WeakPolarHBondContact CB-OG 3.07Å; K41-S45 WeakPolarHBondContact O-CA 3.36Å; K41-S45 WeakPolarHBondContact O-CB 3.47Å; K41-S45 PolarHBondContact O-OG 3.24Å |
| 42 | G | 57 | Low | 72.5 | Confident | 47 Ų | 47 | 85.4 Ų | 85.4 | 49% | 0.485 | 46% | 0.457 | S | S | . | . | trans | 70.6 | 164.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V38 K44 S45 | V38-G42 PolarHBondContact O-N 3.19Å; G42-K44 VanDerWaalsContact C-N 3.34Å; G42-K44 PolarHBondContact O-N 3.27Å; G42-S45 VanDerWaalsContact O-CB 3.24Å; G42-S45 WeakPolarHBondContact O-CB 3.27Å; G42-S45 PolarHBondContact O-N 2.88Å; G42-S45 VanDerWaalsContact O-N 3.11Å | ||
| 43 | T | 57.3 | Low | 72.9 | Confident | 156 Ų | 156 | 82.7 Ų | 82.7 | 96% | 0.957 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -26.9 | -172.7 | 45.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 44 | K | 56.6 | Low | 73.7 | Confident | 153 Ų | 153 | 84.2 Ų | 84.2 | 67% | 0.665 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 14 | 172.5 | -67.5 | -173.2 | 177.1 | 178.5 | 0 | 113.6 | G42 N46 T47 H48 | G42-K44 VanDerWaalsContact C-N 3.34Å; G42-K44 PolarHBondContact O-N 3.27Å; K44-N46 PolarHBondContact O-N 2.88Å; K44-T47 PolarHBondContact O-OG1 2.95Å; K44-H48 PolarHBondContact O-CD2 2.98Å; K44-H48 PolarHBondContact O-N 3.41Å |
| 45 | S | 71.9 | Confident | 74.7 | Confident | 18 Ų | 18 | 79 Ų | 79 | 13% | 0.126 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.1 | -49.1 | -167 | -153.8 | 0 | 0 | 0 | 0 | 115.9 | K41 G42 T47 H48 L49 | K41-S45 WeakPolarHBondContact CA-OG 3.24Å; K41-S45 WeakPolarHBondContact CB-OG 3.07Å; K41-S45 WeakPolarHBondContact O-CA 3.36Å; K41-S45 WeakPolarHBondContact O-CB 3.47Å; K41-S45 PolarHBondContact O-OG 3.24Å; G42-S45 VanDerWaalsContact O-CB 3.24Å; G42-S45 WeakPolarHBondContact O-CB 3.27Å; G42-S45 PolarHBondContact O-N 2.88Å; G42-S45 VanDerWaalsContact O-N 3.11Å; S45-T47 VanDerWaalsContact C-N 3.28Å; S45-T47 PolarHBondContact O-N 3.36Å; S45-H48 PolarHBondContact O-N 3.34Å; S45-L49 PolarHBondContact O-N 2.94Å |
| 46 | N | 76.9 | Confident | 75.3 | Confident | 117 Ų | 117 | 73.7 Ų | 73.7 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.4 | -37.2 | -167.1 | -70.1 | -29.9 | 0 | 0 | 0 | 111.1 | Y33 K44 G50 | Y33-N46 PolarHBondContact OH-OD1 2.88Å; K44-N46 PolarHBondContact O-N 2.88Å; N46-G50 PolarHBondContact O-N 3.06Å |
| 47 | T | 81.8 | Confident | 76.2 | Confident | 104 Ų | 104 | 74.9 Ų | 74.9 | 64% | 0.638 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71.7 | -40.6 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | K44 S45 G50 S51 | K44-T47 PolarHBondContact O-OG1 2.95Å; S45-T47 VanDerWaalsContact C-N 3.28Å; S45-T47 PolarHBondContact O-N 3.36Å; T47-G50 PolarHBondContact O-N 2.73Å; T47-S51 PolarHBondContact O-N 3.49Å |
| 48 | H | 81.9 | Confident | 77.3 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 34% | 0.338 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 174.4 | -71 | -61.9 | 0 | 0 | 0 | 112.4 | K44 S45 S51 I52 | K44-H48 PolarHBondContact O-CD2 2.98Å; K44-H48 PolarHBondContact O-N 3.41Å; S45-H48 PolarHBondContact O-N 3.34Å; H48-S51 PolarHBondContact O-N 2.93Å; H48-S51 PolarHBondContact O-OG 3.32Å; H48-I52 VanDerWaalsContact O-CG1 3.23Å; H48-I52 WeakPolarHBondContact O-CG1 3.32Å; H48-I52 PolarHBondContact O-N 2.96Å |
| 49 | L | 81.2 | Confident | 78.5 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 173.1 | -174.5 | 94.9 | 0 | 0 | 0 | 111.2 | I29 Y33 S45 S51 I52 I53 | I29-L49 HydrophobicContact CG2-CD1 3.63Å; Y33-L49 HydrophobicContact CD1-CD2 3.61Å; Y33-L49 HydrophobicContact CD2-CD1 3.29Å; Y33-L49 HydrophobicContact CD2-CD2 3.21Å; Y33-L49 HydrophobicContact CD2-CG 3.75Å; Y33-L49 HydrophobicContact CE1-CD2 3.62Å; Y33-L49 HydrophobicContact CE2-CB 4.04Å; Y33-L49 HydrophobicContact CE2-CD1 3.59Å; Y33-L49 HydrophobicContact CE2-CD2 3.24Å; Y33-L49 HydrophobicContact CE2-CG 3.75Å; Y33-L49 HydrophobicContact CG-CD1 4.14Å; Y33-L49 HydrophobicContact CG-CD2 3.4Å; Y33-L49 VanDerWaalsContact CG-CD2 3.4Å; Y33-L49 HydrophobicContact CG-CG 4.35Å; Y33-L49 VanDerWaalsContact CZ-CD2 3.44Å; S45-L49 PolarHBondContact O-N 2.94Å; L49-S51 PolarHBondContact O-N 2.92Å; L49-I52 WeakPolarHBondContact O-CB 3.28Å; L49-I52 PolarHBondContact O-N 2.88Å; L49-I52 VanDerWaalsContact O-N 3.08Å; L49-I53 HydrophobicContact CD2-CD1 3.59Å; L49-I53 HydrophobicContact CG-CD1 3.86Å; L49-I53 HydrophobicContact CG-CG1 4.36Å; L49-I53 PolarHBondContact O-N 2.95Å |
| 50 | G | 85.3 | Confident | 80 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -53.4 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | N46 T47 I53 T54 | N46-G50 PolarHBondContact O-N 3.06Å; T47-G50 PolarHBondContact O-N 2.73Å; G50-I53 PolarHBondContact O-N 3.07Å; G50-T54 VanDerWaalsContact O-CB 3.23Å; G50-T54 WeakPolarHBondContact O-CB 3.49Å; G50-T54 PolarHBondContact O-N 2.96Å; G50-T54 PolarHBondContact O-OG1 3.45Å |
| 51 | S | 87.2 | Confident | 81.4 | Confident | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 176.5 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | T47 H48 L49 T54 A55 | T47-S51 PolarHBondContact O-N 3.49Å; H48-S51 PolarHBondContact O-N 2.93Å; H48-S51 PolarHBondContact O-OG 3.32Å; L49-S51 PolarHBondContact O-N 2.92Å; S51-T54 PolarHBondContact O-N 3.17Å; S51-A55 VanDerWaalsContact O-CB 3.3Å; S51-A55 WeakPolarHBondContact O-CB 3.38Å; S51-A55 PolarHBondContact O-N 3.26Å |
| 52 | I | 88.6 | Confident | 82.7 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 174 | -67.2 | 164.8 | 0 | 0 | 0 | 111.2 | H48 L49 A55 Q56 W103 L104 Y107 | H48-I52 VanDerWaalsContact O-CG1 3.23Å; H48-I52 WeakPolarHBondContact O-CG1 3.32Å; H48-I52 PolarHBondContact O-N 2.96Å; L49-I52 WeakPolarHBondContact O-CB 3.28Å; L49-I52 PolarHBondContact O-N 2.88Å; L49-I52 VanDerWaalsContact O-N 3.08Å; I52-A55 PolarHBondContact O-N 3.45Å; I52-Q56 PolarHBondContact O-N 3.21Å; I52-Q56 VanDerWaalsContact O-N 3.09Å; I52-W103 HydrophobicContact CD1-CB 4.04Å; I52-L104 HydrophobicContact CB-CD1 4.43Å; I52-L104 HydrophobicContact CG1-CB 4.08Å; I52-L104 HydrophobicContact CG1-CD1 3.98Å; I52-Y107 HydrophobicContact CG2-CD1 3.56Å; I52-Y107 HydrophobicContact CG2-CE1 4.49Å; I52-Y107 HydrophobicContact CG2-CG 4.01Å |
| 53 | I | 88.9 | Confident | 84.5 | Confident | 33 Ų | 33 | 59 Ų | 59 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 179.6 | -66.5 | 170.6 | 0 | 0 | 0 | 110.7 | I29 Q30 L49 G50 Q56 T57 | I29-I53 HydrophobicContact CG2-CG1 4.28Å; Q30-I53 HydrophobicContact CG-CD1 4.08Å; Q30-I53 HydrophobicContact CG-CG1 4.34Å; Q30-I53 HydrophobicContact CG-CG2 4.34Å; L49-I53 HydrophobicContact CD2-CD1 3.59Å; L49-I53 HydrophobicContact CG-CD1 3.86Å; L49-I53 HydrophobicContact CG-CG1 4.36Å; L49-I53 PolarHBondContact O-N 2.95Å; G50-I53 PolarHBondContact O-N 3.07Å; I53-Q56 PolarHBondContact O-N 3.5Å; I53-T57 WeakPolarHBondContact O-CB 3.2Å; I53-T57 PolarHBondContact O-N 3.46Å; I53-T57 PolarHBondContact O-OG1 3.47Å |
| 54 | T | 90.9 | Very high | 86.1 | Confident | 77 Ų | 77 | 52.1 Ų | 52.1 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.2 | -68 | 0 | 0 | 0 | 0 | 111.2 | G50 S51 Q56 T57 L58 | G50-T54 VanDerWaalsContact O-CB 3.23Å; G50-T54 WeakPolarHBondContact O-CB 3.49Å; G50-T54 PolarHBondContact O-N 2.96Å; G50-T54 PolarHBondContact O-OG1 3.45Å; S51-T54 PolarHBondContact O-N 3.17Å; T54-Q56 VanDerWaalsContact C-N 3.32Å; T54-Q56 PolarHBondContact O-N 2.85Å; T54-T57 PolarHBondContact O-N 2.8Å; T54-L58 HydrophobicContact CG2-CD1 3.75Å; T54-L58 HydrophobicContact CG2-CG 4.15Å; T54-L58 WeakPolarHBondContact O-CB 3.38Å; T54-L58 VanDerWaalsContact O-CG 3.3Å; T54-L58 WeakPolarHBondContact O-CG 3.48Å; T54-L58 PolarHBondContact O-N 2.62Å |
| 55 | A | 91.7 | Very high | 87.8 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S51 I52 G59 L104 | S51-A55 VanDerWaalsContact O-CB 3.3Å; S51-A55 WeakPolarHBondContact O-CB 3.38Å; S51-A55 PolarHBondContact O-N 3.26Å; I52-A55 PolarHBondContact O-N 3.45Å; A55-G59 PolarHBondContact O-N 3.35Å; A55-L104 HydrophobicContact CB-CD1 3.82Å |
| 56 | Q | 92.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 2% | 0.023 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.2 | -175.6 | -82 | -30.3 | 0 | 0 | 112.3 | I52 I53 T54 G59 Y60 Y107 G111 | I52-Q56 PolarHBondContact O-N 3.21Å; I52-Q56 VanDerWaalsContact O-N 3.09Å; I53-Q56 PolarHBondContact O-N 3.5Å; T54-Q56 VanDerWaalsContact C-N 3.32Å; T54-Q56 PolarHBondContact O-N 2.85Å; Q56-G59 PolarHBondContact O-N 3.4Å; Q56-Y60 VanDerWaalsContact O-CB 3.24Å; Q56-Y60 WeakPolarHBondContact O-CB 2.99Å; Q56-Y60 PolarHBondContact O-N 2.93Å; Q56-Y107 HydrophobicContact CB-CD1 3.33Å; Q56-Y107 HydrophobicContact CB-CE1 3.47Å; Q56-Y107 VanDerWaalsContact CB-CE1 3.47Å; Q56-Y107 HydrophobicContact CB-CG 4.2Å; Q56-Y107 VanDerWaalsContact CB-O 3.31Å; Q56-Y107 WeakPolarHBondContact CB-O 3.44Å; Q56-Y107 HydrophobicContact CG-CD1 3.6Å; Q56-Y107 HydrophobicContact CG-CE1 3.42Å; Q56-Y107 VanDerWaalsContact CG-CE1 3.42Å; Q56-Y107 HydrophobicContact CG-CE2 4.45Å; Q56-Y107 HydrophobicContact CG-CG 4.2Å; Q56-Y107 VanDerWaalsContact CG-O 3.22Å; Q56-Y107 WeakPolarHBondContact CG-O 3.37Å; Q56-G111 WeakPolarHBondContact O-CA 3.29Å |
| 57 | T | 90.8 | Very high | 89.6 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 36% | 0.362 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | -178.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | I53 T54 T61 | I53-T57 WeakPolarHBondContact O-CB 3.2Å; I53-T57 PolarHBondContact O-N 3.46Å; I53-T57 PolarHBondContact O-OG1 3.47Å; T54-T57 PolarHBondContact O-N 2.8Å; T57-T61 WeakPolarHBondContact O-CB 3.04Å; T57-T61 PolarHBondContact O-N 3.1Å; T57-T61 PolarHBondContact O-OG1 3.3Å |
| 58 | L | 90.8 | Very high | 90.1 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 56% | 0.56 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.2 | -51.2 | 174.2 | -75.4 | 175.4 | 0 | 0 | 0 | 111 | T54 Y60 T61 V62 | T54-L58 HydrophobicContact CG2-CD1 3.75Å; T54-L58 HydrophobicContact CG2-CG 4.15Å; T54-L58 WeakPolarHBondContact O-CB 3.38Å; T54-L58 VanDerWaalsContact O-CG 3.3Å; T54-L58 WeakPolarHBondContact O-CG 3.48Å; T54-L58 PolarHBondContact O-N 2.62Å; L58-Y60 VanDerWaalsContact C-N 3.29Å; L58-Y60 PolarHBondContact O-N 2.97Å; L58-T61 PolarHBondContact O-N 3.12Å; L58-T61 VanDerWaalsContact O-N 3.13Å; L58-V62 WeakPolarHBondContact O-CG2 3.29Å; L58-V62 PolarHBondContact O-N 3.04Å |
| 59 | G | 92.2 | Very high | 90.7 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.8 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A55 Q56 T61 T63 L112 | A55-G59 PolarHBondContact O-N 3.35Å; Q56-G59 PolarHBondContact O-N 3.4Å; G59-T61 PolarHBondContact O-N 3.39Å; G59-T63 WeakPolarHBondContact O-CB 3.11Å; G59-T63 PolarHBondContact O-N 3.34Å; G59-T63 PolarHBondContact O-OG1 2.77Å; G59-T63 VanDerWaalsContact O-OG1 3.11Å; G59-L112 VanDerWaalsContact CA-CD2 3.47Å |
| 60 | Y | 92.1 | Very high | 91.3 | Very high | 30 Ų | 30 | 44 Ų | 44 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175 | 177.1 | -99.6 | 0 | 0 | 0 | 112.5 | Q56 L58 K64 G111 L114 G115 | Q56-Y60 VanDerWaalsContact O-CB 3.24Å; Q56-Y60 WeakPolarHBondContact O-CB 2.99Å; Q56-Y60 PolarHBondContact O-N 2.93Å; L58-Y60 VanDerWaalsContact C-N 3.29Å; L58-Y60 PolarHBondContact O-N 2.97Å; Y60-K64 HydrophobicContact CE1-CD 3.9Å; Y60-K64 WeakPolarHBondContact O-CB 3.41Å; Y60-K64 PolarHBondContact O-N 3.23Å; Y60-G111 WeakPolarHBondContact CA-O 3.41Å; Y60-G111 PolarHBondContact N-O 2.82Å; Y60-L114 HydrophobicContact CD2-CB 4.31Å; Y60-G115 VanDerWaalsContact CD2-CA 3.49Å |
| 61 | T | 90.7 | Very high | 91.6 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 28% | 0.282 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.8 | -47 | -177.7 | -61 | 0 | 0 | 0 | 0 | 111.8 | T57 L58 G59 K64 L65 | T57-T61 WeakPolarHBondContact O-CB 3.04Å; T57-T61 PolarHBondContact O-N 3.1Å; T57-T61 PolarHBondContact O-OG1 3.3Å; L58-T61 PolarHBondContact O-N 3.12Å; L58-T61 VanDerWaalsContact O-N 3.13Å; G59-T61 PolarHBondContact O-N 3.39Å; T61-K64 PolarHBondContact O-N 3.07Å; T61-L65 PolarHBondContact O-N 3.29Å |
| 62 | V | 91.2 | Very high | 91.9 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.5 | -49.5 | 178.8 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | L58 K64 L65 I66 | L58-V62 WeakPolarHBondContact O-CG2 3.29Å; L58-V62 PolarHBondContact O-N 3.04Å; V62-K64 VanDerWaalsContact C-N 3.31Å; V62-K64 PolarHBondContact O-N 3.44Å; V62-L65 PolarHBondContact O-N 3.5Å; V62-I66 HydrophobicContact CG1-CD1 3.71Å; V62-I66 HydrophobicContact CG1-CG1 4.5Å; V62-I66 WeakPolarHBondContact O-CG1 3.39Å; V62-I66 PolarHBondContact O-N 3.06Å |
| 63 | T | 93.1 | Very high | 92.1 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73 | -23.4 | -178.4 | -53.8 | 0 | 0 | 0 | 0 | 112.8 | G59 L65 G67 L112 S116 | G59-T63 WeakPolarHBondContact O-CB 3.11Å; G59-T63 PolarHBondContact O-N 3.34Å; G59-T63 PolarHBondContact O-OG1 2.77Å; G59-T63 VanDerWaalsContact O-OG1 3.11Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-G67 WeakPolarHBondContact O-CA 3.35Å; T63-G67 PolarHBondContact O-N 3.49Å; T63-L112 VanDerWaalsContact CB-O 3.22Å; T63-L112 WeakPolarHBondContact CB-O 3.37Å; T63-L112 WeakPolarHBondContact CG2-O 3.27Å; T63-L112 VanDerWaalsContact OG1-CD2 3.23Å; T63-L112 WeakPolarHBondContact OG1-CD2 3.39Å; T63-L112 PolarHBondContact OG1-O 3.5Å; T63-S116 WeakPolarHBondContact CG2-OG 3.37Å |
| 64 | K | 92.2 | Very high | 92.3 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 6% | 0.057 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 171.6 | -169.5 | 179.7 | -168.5 | -159 | 0 | 111.9 | Y60 T61 V62 G68 G115 P119 A206 | Y60-K64 HydrophobicContact CE1-CD 3.9Å; Y60-K64 WeakPolarHBondContact O-CB 3.41Å; Y60-K64 PolarHBondContact O-N 3.23Å; T61-K64 PolarHBondContact O-N 3.07Å; V62-K64 VanDerWaalsContact C-N 3.31Å; V62-K64 PolarHBondContact O-N 3.44Å; K64-G68 PolarHBondContact O-N 3.07Å; K64-G68 VanDerWaalsContact O-N 3.15Å; K64-G115 VanDerWaalsContact CA-O 3.29Å; K64-G115 WeakPolarHBondContact CA-O 3.35Å; K64-P119 HydrophobicContact CG-CG 4.48Å; K64-A206 HydrophobicContact CD-CB 3.73Å; K64-A206 HydrophobicContact CG-CB 4.07Å; K64-A206 VanDerWaalsContact NZ-CB 3.31Å |
| 65 | L | 92.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.3 | -58.1 | 174.5 | -178.4 | 63.5 | 0 | 0 | 0 | 111.3 | T61 V62 T63 G67 G68 I69 A203 | T61-L65 PolarHBondContact O-N 3.29Å; V62-L65 PolarHBondContact O-N 3.5Å; T63-L65 VanDerWaalsContact C-N 3.32Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-G67 PolarHBondContact O-N 3.02Å; L65-G68 PolarHBondContact O-N 3.41Å; L65-I69 PolarHBondContact O-N 3.36Å; L65-A203 HydrophobicContact CD1-CB 4.03Å |
| 66 | I | 93.6 | Very high | 92.5 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 51% | 0.508 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | -178.4 | -62.7 | 172.4 | 0 | 0 | 0 | 110.6 | V62 G68 I69 L70 | V62-I66 HydrophobicContact CG1-CD1 3.71Å; V62-I66 HydrophobicContact CG1-CG1 4.5Å; V62-I66 WeakPolarHBondContact O-CG1 3.39Å; V62-I66 PolarHBondContact O-N 3.06Å; I66-G68 VanDerWaalsContact C-N 3.33Å; I66-G68 PolarHBondContact O-N 3.45Å; I66-I69 PolarHBondContact O-N 2.87Å; I66-L70 WeakPolarHBondContact O-CB 3.37Å; I66-L70 PolarHBondContact O-N 3.38Å |
| 67 | G | 92.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T63 L65 I69 L70 M71 S116 | T63-G67 WeakPolarHBondContact O-CA 3.35Å; T63-G67 PolarHBondContact O-N 3.49Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-G67 PolarHBondContact O-N 3.02Å; G67-I69 PolarHBondContact O-N 2.99Å; G67-L70 PolarHBondContact O-N 2.86Å; G67-M71 VanDerWaalsContact O-CG 3.25Å; G67-M71 WeakPolarHBondContact O-CG 3.4Å; G67-M71 PolarHBondContact O-N 2.81Å; G67-S116 WeakPolarHBondContact CA-OG 3.22Å |
| 68 | G | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K64 L65 I66 M71 G199 T200 | K64-G68 PolarHBondContact O-N 3.07Å; K64-G68 VanDerWaalsContact O-N 3.15Å; L65-G68 PolarHBondContact O-N 3.41Å; I66-G68 VanDerWaalsContact C-N 3.33Å; I66-G68 PolarHBondContact O-N 3.45Å; G68-M71 WeakPolarHBondContact O-CB 3.32Å; G68-M71 PolarHBondContact O-N 3.37Å; G68-G199 CarbonylContact C-O 3.29Å; G68-G199 CarbonylContact O-C 2.97Å; G68-G199 WeakPolarHBondContact O-CA 3.21Å; G68-T200 PolarHBondContact O-N 3.49Å |
| 69 | I | 94.4 | Very high | 92.6 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 40% | 0.395 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 175.1 | -61.1 | 166.5 | 0 | 0 | 0 | 110.4 | L65 I66 G67 M71 D72 T200 | L65-I69 PolarHBondContact O-N 3.36Å; I66-I69 PolarHBondContact O-N 2.87Å; G67-I69 PolarHBondContact O-N 2.99Å; I69-M71 VanDerWaalsContact C-N 3.25Å; I69-M71 PolarHBondContact O-N 3.19Å; I69-D72 WeakPolarHBondContact O-CB 3.49Å; I69-D72 PolarHBondContact O-N 2.95Å; I69-T200 HydrophobicContact CG1-CG2 4.41Å |
| 70 | L | 93.5 | Very high | 92.6 | Very high | 76 Ų | 76 | 52.4 Ų | 52.4 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.6 | -27.6 | -178.1 | -171.8 | 61.7 | 0 | 0 | 0 | 113 | I66 G67 D72 H73 L74 | I66-L70 WeakPolarHBondContact O-CB 3.37Å; I66-L70 PolarHBondContact O-N 3.38Å; G67-L70 PolarHBondContact O-N 2.86Å; L70-D72 PolarHBondContact O-N 2.83Å; L70-D72 VanDerWaalsContact O-N 3.13Å; L70-H73 PolarHBondContact O-N 3.03Å; L70-H73 VanDerWaalsContact O-N 3.1Å; L70-L74 HydrophobicContact CD1-CD1 3.67Å; L70-L74 HydrophobicContact CD1-CG 3.78Å; L70-L74 HydrophobicContact CD2-CD1 3.59Å; L70-L74 HydrophobicContact CD2-CG 4.48Å; L70-L74 HydrophobicContact CG-CD1 3.45Å; L70-L74 VanDerWaalsContact CG-CD1 3.45Å; L70-L74 HydrophobicContact CG-CG 3.81Å; L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 PolarHBondContact O-N 3.37Å |
| 71 | M | 92.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.9 | 172.6 | -68.3 | -51 | 144.9 | 0 | 0 | 112.9 | G67 G68 I69 H73 P76 I79 P119 A120 K123 | G67-M71 VanDerWaalsContact O-CG 3.25Å; G67-M71 WeakPolarHBondContact O-CG 3.4Å; G67-M71 PolarHBondContact O-N 2.81Å; G68-M71 WeakPolarHBondContact O-CB 3.32Å; G68-M71 PolarHBondContact O-N 3.37Å; I69-M71 VanDerWaalsContact C-N 3.25Å; I69-M71 PolarHBondContact O-N 3.19Å; M71-H73 VanDerWaalsContact C-N 3.27Å; M71-P76 HydrophobicContact SD-CB 3.86Å; M71-I79 HydrophobicContact CE-CB 3.68Å; M71-I79 HydrophobicContact CE-CD1 3.48Å; M71-I79 VanDerWaalsContact CE-CD1 3.48Å; M71-I79 HydrophobicContact CE-CG1 4.19Å; M71-I79 HydrophobicContact CE-CG2 3.37Å; M71-I79 HydrophobicContact SD-CB 4.15Å; M71-I79 HydrophobicContact SD-CD1 3.42Å; M71-I79 WeakPolarHBondContact SD-CD1 3.49Å; M71-I79 HydrophobicContact SD-CG1 4.36Å; M71-I79 HydrophobicContact SD-CG2 4.48Å; M71-P119 HydrophobicContact CG-CB 3.97Å; M71-A120 HydrophobicContact CE-CB 3.79Å; M71-A120 HydrophobicContact SD-CB 3.87Å; M71-K123 HydrophobicContact CB-CD 3.9Å; M71-K123 WeakPolarHBondContact O-CD 3.32Å; M71-K123 WeakPolarHBondContact O-CE 3.23Å; M71-K123 PolarHBondContact O-NZ 3.09Å |
| 72 | D | 92.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -24.9 | 176 | -69.9 | -29.7 | 0 | 0 | 0 | 113.8 | I69 L70 K123 A196 F197 S198 G199 T200 | I69-D72 WeakPolarHBondContact O-CB 3.49Å; I69-D72 PolarHBondContact O-N 2.95Å; L70-D72 PolarHBondContact O-N 2.83Å; L70-D72 VanDerWaalsContact O-N 3.13Å; D72-K123 VanDerWaalsContact CA-NZ 3.27Å; D72-K123 IonicContact OD1-NZ 2.81Å; D72-K123 PolarHBondContact OD1-NZ 3.42Å; D72-A196 WeakPolarHBondContact CB-O 3.45Å; D72-F197 WeakPolarHBondContact OD2-CA 3.26Å; D72-S198 PolarHBondContact OD1-N 3.29Å; D72-G199 WeakPolarHBondContact OD1-CA 3.27Å; D72-G199 PolarHBondContact OD1-N 2.89Å; D72-T200 WeakPolarHBondContact OD2-CB 3.35Å; D72-T200 PolarHBondContact OD2-N 3.13Å; D72-T200 PolarHBondContact OD2-OG1 2.88Å |
| 73 | H | 93.8 | Very high | 92.7 | Very high | 158 Ų | 158 | 56.6 Ų | 56.6 | 73% | 0.731 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -23 | -179.1 | -55.8 | -61.6 | 0 | 0 | 0 | 113.4 | L70 M71 | L70-H73 PolarHBondContact O-N 3.03Å; L70-H73 VanDerWaalsContact O-N 3.1Å; M71-H73 VanDerWaalsContact C-N 3.27Å |
| 74 | L | 93.2 | Very high | 92.7 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 45% | 0.445 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -105.9 | 161.5 | -175.9 | -63.1 | -165.9 | 0 | 0 | 0 | 112.8 | L70 P76 I79 | L70-L74 HydrophobicContact CD1-CD1 3.67Å; L70-L74 HydrophobicContact CD1-CG 3.78Å; L70-L74 HydrophobicContact CD2-CD1 3.59Å; L70-L74 HydrophobicContact CD2-CG 4.48Å; L70-L74 HydrophobicContact CG-CD1 3.45Å; L70-L74 VanDerWaalsContact CG-CD1 3.45Å; L70-L74 HydrophobicContact CG-CG 3.81Å; L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 PolarHBondContact O-N 3.37Å; L74-P76 VanDerWaalsContact O-CD 3.29Å; L74-P76 WeakPolarHBondContact O-CD 3.33Å; L74-I79 HydrophobicContact CB-CD1 3.38Å; L74-I79 HydrophobicContact CB-CG1 4.3Å; L74-I79 HydrophobicContact CD1-CD1 3.82Å; L74-I79 HydrophobicContact CD1-CG1 4.41Å; L74-I79 HydrophobicContact CG-CD1 4.19Å |
| 75 | N | 92.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 63 Ų | 63 | 40% | 0.401 | 30% | 0.304 | S | S | . | . | trans | -73 | 114.3 | 176 | -173.5 | -38.8 | 0 | 0 | 0 | 110.3 | L77 R78 I79 | N75-L77 VanDerWaalsContact C-N 3.32Å; N75-L77 PolarHBondContact O-N 3.2Å; N75-L77 PolarHBondContact OD1-N 2.88Å; N75-L77 VanDerWaalsContact OD1-N 3.13Å; N75-R78 HydrophobicContact CB-CB 4.31Å; N75-R78 HydrophobicContact CB-CG 4.2Å; N75-R78 PolarHBondContact O-N 2.98Å; N75-I79 PolarHBondContact O-N 2.89Å | ||
| 76 | P | 92.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 10% | 0.104 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -36.4 | -172.7 | 25.4 | -34.9 | 0 | 0 | 0 | 112.5 | M71 L74 R78 I79 F80 A120 K123 | M71-P76 HydrophobicContact SD-CB 3.86Å; L74-P76 VanDerWaalsContact O-CD 3.29Å; L74-P76 WeakPolarHBondContact O-CD 3.33Å; P76-R78 PolarHBondContact O-N 2.85Å; P76-I79 PolarHBondContact O-N 3.06Å; P76-F80 WeakPolarHBondContact O-CB 3.45Å; P76-F80 PolarHBondContact O-N 3.28Å; P76-A120 HydrophobicContact CB-CB 4.39Å; P76-A120 WeakPolarHBondContact O-CB 3.2Å; P76-K123 HydrophobicContact CB-CB 4.07Å; P76-K123 HydrophobicContact CB-CD 4.46Å; P76-K123 HydrophobicContact CB-CG 4.37Å; P76-K123 HydrophobicContact CG-CB 4.26Å; P76-K123 HydrophobicContact CG-CD 4.34Å; P76-K123 HydrophobicContact CG-CG 4.12Å |
| 77 | L | 91.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | -180 | -176 | 67.1 | 0 | 0 | 0 | 111.7 | L11 N75 F80 I81 T124 | L11-L77 HydrophobicContact CD1-CD1 4.47Å; N75-L77 VanDerWaalsContact C-N 3.32Å; N75-L77 PolarHBondContact O-N 3.2Å; N75-L77 PolarHBondContact OD1-N 2.88Å; N75-L77 VanDerWaalsContact OD1-N 3.13Å; L77-F80 PolarHBondContact O-N 3.33Å; L77-I81 HydrophobicContact CG-CD1 4.32Å; L77-I81 WeakPolarHBondContact O-CG1 3.26Å; L77-I81 PolarHBondContact O-N 3.36Å; L77-I81 VanDerWaalsContact O-N 3.1Å; L77-T124 HydrophobicContact CD1-CG2 4.33Å |
| 78 | R | 91.9 | Very high | 92.7 | Very high | 159 Ų | 159 | 61.8 Ų | 61.8 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 177.6 | -69.4 | -174.3 | -178.7 | 173.8 | -0.6 | 111.2 | N75 P76 F80 I81 Y82 | N75-R78 HydrophobicContact CB-CB 4.31Å; N75-R78 HydrophobicContact CB-CG 4.2Å; N75-R78 PolarHBondContact O-N 2.98Å; P76-R78 PolarHBondContact O-N 2.85Å; R78-F80 VanDerWaalsContact C-N 3.3Å; R78-F80 PolarHBondContact O-N 3.49Å; R78-I81 PolarHBondContact O-N 3.41Å; R78-Y82 HydrophobicContact CB-CE2 4.15Å; R78-Y82 WeakPolarHBondContact O-CD2 3.42Å; R78-Y82 PolarHBondContact O-N 3.34Å |
| 79 | I | 92.6 | Very high | 92.7 | Very high | 26 Ų | 26 | 63.5 Ų | 63.5 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 177.6 | -60 | 166.1 | 0 | 0 | 0 | 110.9 | M71 L74 N75 P76 I81 Y82 S83 | M71-I79 HydrophobicContact CE-CB 3.68Å; M71-I79 HydrophobicContact CE-CD1 3.48Å; M71-I79 VanDerWaalsContact CE-CD1 3.48Å; M71-I79 HydrophobicContact CE-CG1 4.19Å; M71-I79 HydrophobicContact CE-CG2 3.37Å; M71-I79 HydrophobicContact SD-CB 4.15Å; M71-I79 HydrophobicContact SD-CD1 3.42Å; M71-I79 WeakPolarHBondContact SD-CD1 3.49Å; M71-I79 HydrophobicContact SD-CG1 4.36Å; M71-I79 HydrophobicContact SD-CG2 4.48Å; L74-I79 HydrophobicContact CB-CD1 3.38Å; L74-I79 HydrophobicContact CB-CG1 4.3Å; L74-I79 HydrophobicContact CD1-CD1 3.82Å; L74-I79 HydrophobicContact CD1-CG1 4.41Å; L74-I79 HydrophobicContact CG-CD1 4.19Å; N75-I79 PolarHBondContact O-N 2.89Å; P76-I79 PolarHBondContact O-N 3.06Å; I79-I81 VanDerWaalsContact C-N 3.3Å; I79-I81 PolarHBondContact O-N 3.31Å; I79-Y82 PolarHBondContact O-N 3.49Å; I79-S83 WeakPolarHBondContact O-CB 3.45Å; I79-S83 PolarHBondContact O-N 3.49Å; I79-S83 PolarHBondContact O-OG 2.92Å |
| 80 | F | 92.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 175.7 | -174 | -117.8 | 0 | 0 | 0 | 112.8 | L15 S18 T22 P76 L77 R78 S83 L84 A120 I121 | L15-F80 HydrophobicContact CD2-CD1 4.35Å; L15-F80 HydrophobicContact CD2-CE1 4.18Å; S18-F80 VanDerWaalsContact CB-CE1 3.42Å; T22-F80 HydrophobicContact CG2-CE2 4.32Å; P76-F80 WeakPolarHBondContact O-CB 3.45Å; P76-F80 PolarHBondContact O-N 3.28Å; L77-F80 PolarHBondContact O-N 3.33Å; R78-F80 VanDerWaalsContact C-N 3.3Å; R78-F80 PolarHBondContact O-N 3.49Å; F80-S83 WeakPolarHBondContact CA-OG 3.42Å; F80-S83 PolarHBondContact O-OG 3.44Å; F80-L84 WeakPolarHBondContact O-CB 3.23Å; F80-L84 PolarHBondContact O-N 3.03Å; F80-L84 VanDerWaalsContact O-N 3.1Å; F80-A120 HydrophobicContact CB-CB 3.8Å; F80-A120 HydrophobicContact CD2-CB 4.38Å; F80-A120 HydrophobicContact CG-CB 4.5Å; F80-I121 HydrophobicContact CD2-CD1 4.07Å; F80-I121 HydrophobicContact CD2-CG1 3.73Å; F80-I121 HydrophobicContact CE1-CG1 4.23Å; F80-I121 HydrophobicContact CE2-CD1 3.3Å; F80-I121 HydrophobicContact CE2-CG1 3.42Å; F80-I121 VanDerWaalsContact CE2-CG1 3.42Å; F80-I121 HydrophobicContact CG-CG1 4.27Å; F80-I121 HydrophobicContact CZ-CD1 3.58Å; F80-I121 HydrophobicContact CZ-CG1 3.69Å |
| 81 | I | 92.4 | Very high | 92.4 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 176 | -66.8 | 164.5 | 0 | 0 | 0 | 110.3 | L77 R78 I79 S83 L84 I85 | L77-I81 HydrophobicContact CG-CD1 4.32Å; L77-I81 WeakPolarHBondContact O-CG1 3.26Å; L77-I81 PolarHBondContact O-N 3.36Å; L77-I81 VanDerWaalsContact O-N 3.1Å; R78-I81 PolarHBondContact O-N 3.41Å; I79-I81 VanDerWaalsContact C-N 3.3Å; I79-I81 PolarHBondContact O-N 3.31Å; I81-S83 VanDerWaalsContact C-N 3.35Å; I81-S83 PolarHBondContact O-N 3.37Å; I81-L84 PolarHBondContact O-N 2.98Å; I81-I85 HydrophobicContact CG2-CD1 3.79Å; I81-I85 HydrophobicContact CG2-CG1 4.46Å; I81-I85 WeakPolarHBondContact O-CG1 3.4Å; I81-I85 PolarHBondContact O-N 2.9Å |
| 82 | Y | 92.4 | Very high | 92.4 | Very high | 155 Ų | 155 | 65.3 Ų | 65.3 | 61% | 0.608 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | 178.2 | -63.5 | -40.4 | 0 | 0 | 0 | 112.8 | R78 I79 L84 S86 | R78-Y82 HydrophobicContact CB-CE2 4.15Å; R78-Y82 WeakPolarHBondContact O-CD2 3.42Å; R78-Y82 PolarHBondContact O-N 3.34Å; I79-Y82 PolarHBondContact O-N 3.49Å; Y82-L84 VanDerWaalsContact C-N 3.32Å; Y82-L84 PolarHBondContact O-N 3.25Å; Y82-S86 WeakPolarHBondContact O-CB 3.49Å; Y82-S86 PolarHBondContact O-N 3.47Å |
| 83 | S | 92.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 69 Ų | 69 | 5% | 0.049 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.3 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | I79 F80 I81 A87 A113 S117 | I79-S83 WeakPolarHBondContact O-CB 3.45Å; I79-S83 PolarHBondContact O-N 3.49Å; I79-S83 PolarHBondContact O-OG 2.92Å; F80-S83 WeakPolarHBondContact CA-OG 3.42Å; F80-S83 PolarHBondContact O-OG 3.44Å; I81-S83 VanDerWaalsContact C-N 3.35Å; I81-S83 PolarHBondContact O-N 3.37Å; S83-A87 WeakPolarHBondContact O-CB 3.5Å; S83-A87 PolarHBondContact O-N 3.05Å; S83-A113 WeakPolarHBondContact CB-O 3.47Å; S83-S117 WeakPolarHBondContact CB-OG 3.39Å; S83-S117 PolarHBondContact OG-OG 2.99Å |
| 84 | L | 91.3 | Very high | 92 | Very high | 59 Ų | 59 | 62 Ų | 62 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 178.4 | -155.4 | 72.2 | 0 | 0 | 0 | 111.9 | T22 F80 I81 Y82 A87 S88 | T22-L84 HydrophobicContact CG2-CD1 3.38Å; F80-L84 WeakPolarHBondContact O-CB 3.23Å; F80-L84 PolarHBondContact O-N 3.03Å; F80-L84 VanDerWaalsContact O-N 3.1Å; I81-L84 PolarHBondContact O-N 2.98Å; Y82-L84 VanDerWaalsContact C-N 3.32Å; Y82-L84 PolarHBondContact O-N 3.25Å; L84-A87 PolarHBondContact O-N 3.14Å; L84-S88 VanDerWaalsContact O-CB 3.29Å; L84-S88 WeakPolarHBondContact O-CB 3.33Å; L84-S88 PolarHBondContact O-N 3.37Å |
| 85 | I | 93.1 | Very high | 91.8 | Very high | 112 Ų | 112 | 62.8 Ų | 62.8 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.6 | -46.5 | 177 | -66 | 169 | 0 | 0 | 0 | 110.4 | I81 S88 G89 | I81-I85 HydrophobicContact CG2-CD1 3.79Å; I81-I85 HydrophobicContact CG2-CG1 4.46Å; I81-I85 WeakPolarHBondContact O-CG1 3.4Å; I81-I85 PolarHBondContact O-N 2.9Å; I85-S88 PolarHBondContact O-N 3.04Å; I85-G89 PolarHBondContact O-N 3Å |
| 86 | S | 92.8 | Very high | 91.6 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 179 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | Y82 S90 | Y82-S86 WeakPolarHBondContact O-CB 3.49Å; Y82-S86 PolarHBondContact O-N 3.47Å; S86-S90 WeakPolarHBondContact O-CB 3.02Å; S86-S90 PolarHBondContact O-N 3.32Å; S86-S90 PolarHBondContact O-OG 3.05Å |
| 87 | A | 92.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S83 L84 S90 L91 A113 L114 | S83-A87 WeakPolarHBondContact O-CB 3.5Å; S83-A87 PolarHBondContact O-N 3.05Å; L84-A87 PolarHBondContact O-N 3.14Å; A87-S90 PolarHBondContact O-N 3.25Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 WeakPolarHBondContact O-CG 3.42Å; A87-L91 PolarHBondContact O-N 3.11Å; A87-A113 HydrophobicContact CB-CB 4.24Å; A87-L114 HydrophobicContact CB-CD1 4.48Å; A87-L114 HydrophobicContact CB-CD2 3.62Å; A87-L114 HydrophobicContact CB-CG 3.9Å |
| 88 | S | 92.4 | Very high | 90.8 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 54% | 0.538 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | L84 I85 S90 L91 F92 | L84-S88 VanDerWaalsContact O-CB 3.29Å; L84-S88 WeakPolarHBondContact O-CB 3.33Å; L84-S88 PolarHBondContact O-N 3.37Å; I85-S88 PolarHBondContact O-N 3.04Å; S88-S90 VanDerWaalsContact C-N 3.31Å; S88-S90 PolarHBondContact O-N 3.44Å; S88-L91 PolarHBondContact O-N 3.18Å; S88-F92 WeakPolarHBondContact O-CB 3.43Å; S88-F92 PolarHBondContact O-N 3.48Å |
| 89 | G | 92.7 | Very high | 90.4 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I85 F92 L93 | I85-G89 PolarHBondContact O-N 3Å; G89-F92 PolarHBondContact O-N 3.15Å; G89-L93 WeakPolarHBondContact O-CG 3.5Å; G89-L93 PolarHBondContact O-N 2.96Å |
| 90 | S | 92.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | S86 A87 S88 L93 L94 T110 | S86-S90 WeakPolarHBondContact O-CB 3.02Å; S86-S90 PolarHBondContact O-N 3.32Å; S86-S90 PolarHBondContact O-OG 3.05Å; A87-S90 PolarHBondContact O-N 3.25Å; S88-S90 VanDerWaalsContact C-N 3.31Å; S88-S90 PolarHBondContact O-N 3.44Å; S90-L93 PolarHBondContact O-N 3.21Å; S90-L94 PolarHBondContact O-N 2.89Å; S90-T110 VanDerWaalsContact CB-CG2 3.47Å |
| 91 | L | 91.1 | Very high | 89.6 | Confident | 44 Ų | 44 | 74 Ų | 74 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.4 | -34.3 | 174.5 | -75 | 177.1 | 0 | 0 | 0 | 112.9 | A25 A87 S88 L94 S95 T110 | A25-L91 HydrophobicContact CB-CD1 3.57Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 WeakPolarHBondContact O-CG 3.42Å; A87-L91 PolarHBondContact O-N 3.11Å; S88-L91 PolarHBondContact O-N 3.18Å; L91-L94 HydrophobicContact CD2-CD2 3.96Å; L91-L94 WeakPolarHBondContact O-CB 3.21Å; L91-L94 PolarHBondContact O-N 3.45Å; L91-S95 PolarHBondContact O-N 3.17Å; L91-T110 HydrophobicContact CD2-CG2 3.96Å; L91-T110 HydrophobicContact CG-CG2 3.87Å |
| 92 | F | 91.5 | Very high | 89.4 | Confident | 139 Ų | 139 | 72.8 Ų | 72.8 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.4 | -45.6 | 173.9 | -179.3 | -99.7 | 0 | 0 | 0 | 111.1 | S88 G89 L94 S95 V96 | S88-F92 WeakPolarHBondContact O-CB 3.43Å; S88-F92 PolarHBondContact O-N 3.48Å; G89-F92 PolarHBondContact O-N 3.15Å; F92-L94 VanDerWaalsContact C-N 3.29Å; F92-L94 PolarHBondContact O-N 3.47Å; F92-S95 WeakPolarHBondContact O-CB 3.46Å; F92-S95 PolarHBondContact O-N 2.98Å; F92-S95 VanDerWaalsContact O-N 3.1Å; F92-V96 HydrophobicContact CE1-CG2 4.1Å; F92-V96 HydrophobicContact CE2-CG2 4.28Å; F92-V96 HydrophobicContact CZ-CG2 3.97Å; F92-V96 WeakPolarHBondContact O-CG2 3.42Å; F92-V96 PolarHBondContact O-N 3.17Å; F92-V96 VanDerWaalsContact O-N 3.12Å |
| 93 | L | 90.1 | Very high | 89.2 | Confident | 101 Ų | 101 | 68.8 Ų | 68.8 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 174.2 | -71 | 173.5 | 0 | 0 | 0 | 112.3 | G89 S90 S95 V96 S97 | G89-L93 WeakPolarHBondContact O-CG 3.5Å; G89-L93 PolarHBondContact O-N 2.96Å; S90-L93 PolarHBondContact O-N 3.21Å; L93-S95 VanDerWaalsContact C-N 3.32Å; L93-S95 PolarHBondContact O-N 3.18Å; L93-V96 PolarHBondContact O-N 2.89Å; L93-S97 VanDerWaalsContact O-CB 3.26Å; L93-S97 WeakPolarHBondContact O-CB 3.46Å; L93-S97 PolarHBondContact O-N 3.45Å |
| 94 | L | 87.8 | Confident | 89.1 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.058 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 174.4 | -175.2 | 73.2 | 0 | 0 | 0 | 111.7 | I29 S90 L91 F92 W103 S106 Y107 | I29-L94 HydrophobicContact CD1-CD2 4Å; I29-L94 HydrophobicContact CG1-CD2 4.27Å; S90-L94 PolarHBondContact O-N 2.89Å; L91-L94 HydrophobicContact CD2-CD2 3.96Å; L91-L94 WeakPolarHBondContact O-CB 3.21Å; L91-L94 PolarHBondContact O-N 3.45Å; F92-L94 VanDerWaalsContact C-N 3.29Å; F92-L94 PolarHBondContact O-N 3.47Å; L94-W103 HydrophobicContact CD1-CB 3.76Å; L94-W103 HydrophobicContact CD1-CD2 3.4Å; L94-W103 VanDerWaalsContact CD1-CD2 3.4Å; L94-W103 HydrophobicContact CD1-CE3 3.78Å; L94-W103 HydrophobicContact CD1-CG 3.42Å; L94-W103 VanDerWaalsContact CD1-CG 3.42Å; L94-W103 HydrophobicContact CD1-CZ3 4.49Å; L94-W103 HydrophobicContact CG-CD2 4.34Å; L94-W103 PolarHBondContact O-NE1 3.41Å; L94-S106 WeakPolarHBondContact CD1-OG 3.43Å; L94-Y107 HydrophobicContact CD2-CD2 4.08Å |
| 95 | S | 88.3 | Confident | 89.1 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 71% | 0.713 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69 | -31.9 | -179.4 | -172.9 | 0 | 0 | 0 | 0 | 113.6 | L91 F92 L93 | L91-S95 PolarHBondContact O-N 3.17Å; F92-S95 WeakPolarHBondContact O-CB 3.46Å; F92-S95 PolarHBondContact O-N 2.98Å; F92-S95 VanDerWaalsContact O-N 3.1Å; L93-S95 VanDerWaalsContact C-N 3.32Å; L93-S95 PolarHBondContact O-N 3.18Å |
| 96 | V | 89.7 | Confident | 89.1 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 62% | 0.624 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -88.7 | -26.8 | -178 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | F92 L93 | F92-V96 HydrophobicContact CE1-CG2 4.1Å; F92-V96 HydrophobicContact CE2-CG2 4.28Å; F92-V96 HydrophobicContact CZ-CG2 3.97Å; F92-V96 WeakPolarHBondContact O-CG2 3.42Å; F92-V96 PolarHBondContact O-N 3.17Å; F92-V96 VanDerWaalsContact O-N 3.12Å; L93-V96 PolarHBondContact O-N 2.89Å |
| 97 | S | 85.3 | Confident | 89 | Confident | 28 Ų | 28 | 65 Ų | 65 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | trans | -87.2 | 141.7 | -176.4 | -166.4 | 0 | 0 | 0 | 0 | 112.7 | L93 H99 V102 W103 | L93-S97 VanDerWaalsContact O-CB 3.26Å; L93-S97 WeakPolarHBondContact O-CB 3.46Å; L93-S97 PolarHBondContact O-N 3.45Å; S97-H99 PolarHBondContact OG-N 2.93Å; S97-V102 WeakPolarHBondContact OG-CB 3.5Å; S97-V102 WeakPolarHBondContact OG-CG1 3.37Å; S97-W103 PolarHBondContact O-NE1 3.36Å | ||
| 98 | S | 81.1 | Confident | 89.1 | Confident | 122 Ų | 122 | 65.2 Ų | 65.2 | 85% | 0.853 | 38% | 0.378 | S | S | * | . | trans | -102.8 | -2.4 | 166.8 | -59.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 99 | H | 83.6 | Confident | 89.1 | Confident | 113 Ų | 113 | 65.2 Ų | 65.2 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | trans | -87.4 | 129 | -171.3 | -161.1 | -83.7 | 0 | 0 | 0 | 111.9 | S97 T101 V102 W103 | S97-H99 PolarHBondContact OG-N 2.93Å; H99-T101 PolarHBondContact CE1-OG1 2.98Å; H99-T101 PolarHBondContact ND1-N 3.22Å; H99-T101 PolarHBondContact ND1-OG1 3.45Å; H99-T101 PolarHBondContact O-N 2.91Å; H99-V102 HydrophobicContact CB-CB 4.33Å; H99-V102 HydrophobicContact CB-CG2 3.95Å; H99-V102 WeakPolarHBondContact O-CB 3.3Å; H99-V102 PolarHBondContact O-N 3.26Å; H99-W103 VanDerWaalsContact O-CD1 3.25Å; H99-W103 PolarHBondContact O-N 3.39Å; H99-W103 VanDerWaalsContact O-N 3.07Å | ||
| 100 | Q | 81.9 | Confident | 89.1 | Confident | 112 Ų | 112 | 63.6 Ų | 63.6 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | -173.1 | -66.3 | 179.4 | -15.5 | 0 | 0 | 113.8 | V102 W103 L104 | Q100-V102 VanDerWaalsContact C-N 3.33Å; Q100-V102 PolarHBondContact O-N 3.38Å; Q100-W103 WeakPolarHBondContact O-CB 3.17Å; Q100-W103 PolarHBondContact O-N 2.96Å; Q100-L104 PolarHBondContact O-N 2.87Å |
| 101 | T | 85.8 | Confident | 89.1 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.1 | -34.6 | 177.7 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | H99 W103 L104 V105 | H99-T101 PolarHBondContact CE1-OG1 2.98Å; H99-T101 PolarHBondContact ND1-N 3.22Å; H99-T101 PolarHBondContact ND1-OG1 3.45Å; H99-T101 PolarHBondContact O-N 2.91Å; T101-W103 VanDerWaalsContact C-N 3.3Å; T101-L104 PolarHBondContact O-N 3.43Å; T101-V105 WeakPolarHBondContact O-CG2 3.15Å; T101-V105 PolarHBondContact O-N 2.97Å |
| 102 | V | 88.6 | Confident | 89.2 | Confident | 55 Ų | 55 | 64.6 Ų | 64.6 | 33% | 0.333 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | S97 H99 Q100 V105 S106 | S97-V102 WeakPolarHBondContact OG-CB 3.5Å; S97-V102 WeakPolarHBondContact OG-CG1 3.37Å; H99-V102 HydrophobicContact CB-CB 4.33Å; H99-V102 HydrophobicContact CB-CG2 3.95Å; H99-V102 WeakPolarHBondContact O-CB 3.3Å; H99-V102 PolarHBondContact O-N 3.26Å; Q100-V102 VanDerWaalsContact C-N 3.33Å; Q100-V102 PolarHBondContact O-N 3.38Å; V102-V105 PolarHBondContact O-N 3.47Å; V102-S106 WeakPolarHBondContact O-CB 3.44Å; V102-S106 PolarHBondContact O-N 3.42Å; V102-S106 PolarHBondContact O-OG 3.5Å |
| 103 | W | 88.7 | Confident | 89.2 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 27% | 0.269 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 173.6 | -79.2 | 47.8 | 0 | 0 | 0 | 112.5 | I29 I52 L94 S97 H99 Q100 T101 S106 Y107 | I29-W103 HydrophobicContact CD1-CE3 4.11Å; I29-W103 HydrophobicContact CD1-CH2 4.42Å; I29-W103 HydrophobicContact CD1-CZ3 3.61Å; I52-W103 HydrophobicContact CD1-CB 4.04Å; L94-W103 HydrophobicContact CD1-CB 3.76Å; L94-W103 HydrophobicContact CD1-CD2 3.4Å; L94-W103 VanDerWaalsContact CD1-CD2 3.4Å; L94-W103 HydrophobicContact CD1-CE3 3.78Å; L94-W103 HydrophobicContact CD1-CG 3.42Å; L94-W103 VanDerWaalsContact CD1-CG 3.42Å; L94-W103 HydrophobicContact CD1-CZ3 4.49Å; L94-W103 HydrophobicContact CG-CD2 4.34Å; L94-W103 PolarHBondContact O-NE1 3.41Å; S97-W103 PolarHBondContact O-NE1 3.36Å; H99-W103 VanDerWaalsContact O-CD1 3.25Å; H99-W103 PolarHBondContact O-N 3.39Å; H99-W103 VanDerWaalsContact O-N 3.07Å; Q100-W103 WeakPolarHBondContact O-CB 3.17Å; Q100-W103 PolarHBondContact O-N 2.96Å; T101-W103 VanDerWaalsContact C-N 3.3Å; W103-S106 PolarHBondContact O-OG 3.32Å; W103-Y107 WeakPolarHBondContact O-CB 3.47Å; W103-Y107 PolarHBondContact O-N 2.87Å |
| 104 | L | 90.2 | Very high | 89.4 | Confident | 61 Ų | 61 | 54 Ų | 54 | 32% | 0.319 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 176.2 | 180 | 66.9 | 0 | 0 | 0 | 112 | I52 A55 Q100 T101 G108 | I52-L104 HydrophobicContact CB-CD1 4.43Å; I52-L104 HydrophobicContact CG1-CB 4.08Å; I52-L104 HydrophobicContact CG1-CD1 3.98Å; A55-L104 HydrophobicContact CB-CD1 3.82Å; Q100-L104 PolarHBondContact O-N 2.87Å; T101-L104 PolarHBondContact O-N 3.43Å; L104-G108 PolarHBondContact O-N 3.44Å |
| 105 | V | 92.3 | Very high | 89.5 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.4 | -48.8 | -178 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | T101 V102 G108 L109 | T101-V105 WeakPolarHBondContact O-CG2 3.15Å; T101-V105 PolarHBondContact O-N 2.97Å; V102-V105 PolarHBondContact O-N 3.47Å; V105-G108 PolarHBondContact O-N 3.16Å; V105-L109 HydrophobicContact CG1-CD1 3.97Å; V105-L109 HydrophobicContact CG1-CG 4.46Å; V105-L109 WeakPolarHBondContact O-CB 3.19Å; V105-L109 VanDerWaalsContact O-CG 3.28Å; V105-L109 WeakPolarHBondContact O-CG 3.45Å; V105-L109 PolarHBondContact O-N 2.77Å |
| 106 | S | 91.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | -177.8 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | L94 V102 W103 L109 T110 | L94-S106 WeakPolarHBondContact CD1-OG 3.43Å; V102-S106 WeakPolarHBondContact O-CB 3.44Å; V102-S106 PolarHBondContact O-N 3.42Å; V102-S106 PolarHBondContact O-OG 3.5Å; W103-S106 PolarHBondContact O-OG 3.32Å; S106-L109 WeakPolarHBondContact O-CB 3.18Å; S106-L109 PolarHBondContact O-N 2.92Å; S106-T110 WeakPolarHBondContact O-CG2 3.34Å; S106-T110 PolarHBondContact O-N 2.83Å |
| 107 | Y | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -74.3 | -29.7 | 176.8 | -159.3 | -113.8 | 0 | 0 | 0 | 112.2 | R26 I29 I52 Q56 L94 W103 L109 T110 G111 | R26-Y107 PolarHBondContact O-OH 2.95Å; I29-Y107 HydrophobicContact CB-CE1 3.97Å; I29-Y107 HydrophobicContact CB-CE2 4.07Å; I29-Y107 HydrophobicContact CG1-CD1 4.24Å; I29-Y107 HydrophobicContact CG1-CD2 3.76Å; I29-Y107 HydrophobicContact CG1-CE1 4.07Å; I29-Y107 HydrophobicContact CG1-CE2 3.57Å; I29-Y107 HydrophobicContact CG1-CG 4.1Å; I52-Y107 HydrophobicContact CG2-CD1 3.56Å; I52-Y107 HydrophobicContact CG2-CE1 4.49Å; I52-Y107 HydrophobicContact CG2-CG 4.01Å; Q56-Y107 HydrophobicContact CB-CD1 3.33Å; Q56-Y107 HydrophobicContact CB-CE1 3.47Å; Q56-Y107 VanDerWaalsContact CB-CE1 3.47Å; Q56-Y107 HydrophobicContact CB-CG 4.2Å; Q56-Y107 VanDerWaalsContact CB-O 3.31Å; Q56-Y107 WeakPolarHBondContact CB-O 3.44Å; Q56-Y107 HydrophobicContact CG-CD1 3.6Å; Q56-Y107 HydrophobicContact CG-CE1 3.42Å; Q56-Y107 VanDerWaalsContact CG-CE1 3.42Å; Q56-Y107 HydrophobicContact CG-CE2 4.45Å; Q56-Y107 HydrophobicContact CG-CG 4.2Å; Q56-Y107 VanDerWaalsContact CG-O 3.22Å; Q56-Y107 WeakPolarHBondContact CG-O 3.37Å; L94-Y107 HydrophobicContact CD2-CD2 4.08Å; W103-Y107 WeakPolarHBondContact O-CB 3.47Å; W103-Y107 PolarHBondContact O-N 2.87Å; Y107-L109 VanDerWaalsContact C-N 3.34Å; Y107-T110 PolarHBondContact O-N 2.69Å; Y107-T110 PolarHBondContact O-OG1 3.28Å; Y107-G111 PolarHBondContact O-N 2.93Å |
| 108 | G | 93.1 | Very high | 90 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L104 V105 G111 L112 | L104-G108 PolarHBondContact O-N 3.44Å; V105-G108 PolarHBondContact O-N 3.16Å; G108-G111 WeakPolarHBondContact O-CA 3.48Å; G108-G111 PolarHBondContact O-N 2.62Å; G108-G111 VanDerWaalsContact O-N 3.13Å; G108-L112 PolarHBondContact O-N 3.48Å; G108-L112 VanDerWaalsContact O-N 3.07Å |
| 109 | L | 92.8 | Very high | 90.5 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 40% | 0.403 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 176.5 | -73.8 | 167.9 | 0 | 0 | 0 | 112.7 | V105 S106 Y107 G111 L112 A113 | V105-L109 HydrophobicContact CG1-CD1 3.97Å; V105-L109 HydrophobicContact CG1-CG 4.46Å; V105-L109 WeakPolarHBondContact O-CB 3.19Å; V105-L109 VanDerWaalsContact O-CG 3.28Å; V105-L109 WeakPolarHBondContact O-CG 3.45Å; V105-L109 PolarHBondContact O-N 2.77Å; S106-L109 WeakPolarHBondContact O-CB 3.18Å; S106-L109 PolarHBondContact O-N 2.92Å; Y107-L109 VanDerWaalsContact C-N 3.34Å; L109-G111 VanDerWaalsContact C-N 3.27Å; L109-G111 PolarHBondContact O-N 3.43Å; L109-L112 HydrophobicContact CD2-CD1 4.24Å; L109-L112 PolarHBondContact O-N 3.47Å; L109-A113 WeakPolarHBondContact O-CB 3.16Å; L109-A113 PolarHBondContact O-N 3.34Å |
| 110 | T | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 172.4 | 66.5 | 0 | 0 | 0 | 0 | 111 | S90 L91 S106 Y107 A113 L114 | S90-T110 VanDerWaalsContact CB-CG2 3.47Å; L91-T110 HydrophobicContact CD2-CG2 3.96Å; L91-T110 HydrophobicContact CG-CG2 3.87Å; S106-T110 WeakPolarHBondContact O-CG2 3.34Å; S106-T110 PolarHBondContact O-N 2.83Å; Y107-T110 PolarHBondContact O-N 2.69Å; Y107-T110 PolarHBondContact O-OG1 3.28Å; T110-A113 PolarHBondContact O-N 3.01Å; T110-L114 VanDerWaalsContact O-CB 3.24Å; T110-L114 WeakPolarHBondContact O-CB 3.31Å; T110-L114 WeakPolarHBondContact O-CG 3.3Å; T110-L114 PolarHBondContact O-N 3.04Å |
| 111 | G | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.2 | -54.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q56 Y60 Y107 G108 L109 A113 L114 G115 | Q56-G111 WeakPolarHBondContact O-CA 3.29Å; Y60-G111 WeakPolarHBondContact CA-O 3.41Å; Y60-G111 PolarHBondContact N-O 2.82Å; Y107-G111 PolarHBondContact O-N 2.93Å; G108-G111 WeakPolarHBondContact O-CA 3.48Å; G108-G111 PolarHBondContact O-N 2.62Å; G108-G111 VanDerWaalsContact O-N 3.13Å; L109-G111 VanDerWaalsContact C-N 3.27Å; L109-G111 PolarHBondContact O-N 3.43Å; G111-A113 PolarHBondContact O-N 2.96Å; G111-L114 PolarHBondContact O-N 2.99Å; G111-G115 PolarHBondContact O-N 3.23Å; G111-G115 VanDerWaalsContact O-N 3.08Å |
| 112 | L | 92.4 | Very high | 91.7 | Very high | 74 Ų | 74 | 24.5 Ų | 24.5 | 39% | 0.387 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -56.7 | -49.5 | 177.6 | -67.3 | 170.2 | 0 | 0 | 0 | 111.5 | G59 T63 G108 L109 L114 G115 | G59-L112 VanDerWaalsContact CA-CD2 3.47Å; T63-L112 VanDerWaalsContact CB-O 3.22Å; T63-L112 WeakPolarHBondContact CB-O 3.37Å; T63-L112 WeakPolarHBondContact CG2-O 3.27Å; T63-L112 VanDerWaalsContact OG1-CD2 3.23Å; T63-L112 WeakPolarHBondContact OG1-CD2 3.39Å; T63-L112 PolarHBondContact OG1-O 3.5Å; G108-L112 PolarHBondContact O-N 3.48Å; G108-L112 VanDerWaalsContact O-N 3.07Å; L109-L112 HydrophobicContact CD2-CD1 4.24Å; L109-L112 PolarHBondContact O-N 3.47Å; L112-L114 PolarHBondContact O-N 3.39Å; L112-G115 PolarHBondContact O-N 2.93Å |
| 113 | A | 92.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 12% | 0.116 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | S83 A87 L109 T110 G111 G115 | S83-A113 WeakPolarHBondContact CB-O 3.47Å; A87-A113 HydrophobicContact CB-CB 4.24Å; L109-A113 WeakPolarHBondContact O-CB 3.16Å; L109-A113 PolarHBondContact O-N 3.34Å; T110-A113 PolarHBondContact O-N 3.01Å; G111-A113 PolarHBondContact O-N 2.96Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 3.37Å |
| 114 | L | 92.7 | Very high | 92 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.4 | -21.1 | -173.2 | -67 | 177.8 | 0 | 0 | 0 | 113.7 | T22 A25 R26 Y60 A87 T110 G111 L112 S116 S117 | T22-L114 HydrophobicContact CG2-CD2 3.76Å; A25-L114 HydrophobicContact CB-CD1 3.88Å; R26-L114 HydrophobicContact CB-CD1 3.99Å; Y60-L114 HydrophobicContact CD2-CB 4.31Å; A87-L114 HydrophobicContact CB-CD1 4.48Å; A87-L114 HydrophobicContact CB-CD2 3.62Å; A87-L114 HydrophobicContact CB-CG 3.9Å; T110-L114 VanDerWaalsContact O-CB 3.24Å; T110-L114 WeakPolarHBondContact O-CB 3.31Å; T110-L114 WeakPolarHBondContact O-CG 3.3Å; T110-L114 PolarHBondContact O-N 3.04Å; G111-L114 PolarHBondContact O-N 2.99Å; L112-L114 PolarHBondContact O-N 3.39Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 2.92Å; L114-S117 VanDerWaalsContact O-CB 3.26Å; L114-S117 WeakPolarHBondContact O-CB 3.44Å; L114-S117 PolarHBondContact O-N 3.33Å; L114-S117 PolarHBondContact O-OG 3.08Å |
| 115 | G | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -53.9 | -41.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y60 K64 G111 L112 A113 S117 P119 | Y60-G115 VanDerWaalsContact CD2-CA 3.49Å; K64-G115 VanDerWaalsContact CA-O 3.29Å; K64-G115 WeakPolarHBondContact CA-O 3.35Å; G111-G115 PolarHBondContact O-N 3.23Å; G111-G115 VanDerWaalsContact O-N 3.08Å; L112-G115 PolarHBondContact O-N 2.93Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 3.37Å; G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 3.26Å; G115-P119 WeakPolarHBondContact O-CD 3.3Å |
| 116 | S | 91.7 | Very high | 91.7 | Very high | 14 Ų | 14 | 16 Ų | 16 | 10% | 0.098 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -13.4 | -179.8 | -65.6 | 0 | 0 | 0 | 0 | 114.2 | T63 G67 L114 W118 P119 A120 | T63-S116 WeakPolarHBondContact CG2-OG 3.37Å; G67-S116 WeakPolarHBondContact CA-OG 3.22Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 2.92Å; S116-W118 PolarHBondContact O-N 2.84Å; S116-P119 WeakPolarHBondContact O-CD 3.29Å; S116-A120 VanDerWaalsContact O-CB 3.25Å; S116-A120 WeakPolarHBondContact O-CB 3.22Å; S116-A120 PolarHBondContact O-N 2.95Å; S116-A120 VanDerWaalsContact O-N 3.14Å |
| 117 | S | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | -170.9 | -64 | 0 | 0 | 0 | 0 | 112.3 | S83 L114 G115 A120 I121 | S83-S117 WeakPolarHBondContact CB-OG 3.39Å; S83-S117 PolarHBondContact OG-OG 2.99Å; L114-S117 VanDerWaalsContact O-CB 3.26Å; L114-S117 WeakPolarHBondContact O-CB 3.44Å; L114-S117 PolarHBondContact O-N 3.33Å; L114-S117 PolarHBondContact O-OG 3.08Å; G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 3.26Å; S117-A120 PolarHBondContact O-N 2.98Å; S117-I121 WeakPolarHBondContact O-CD1 3.46Å; S117-I121 VanDerWaalsContact O-CG1 3.31Å; S117-I121 WeakPolarHBondContact O-CG1 3.46Å; S117-I121 PolarHBondContact O-N 2.94Å |
| 118 | W | 89.1 | Confident | 91.1 | Very high | 24 Ų | 24 | 26 Ų | 26 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.2 | -48.3 | -178.2 | -177 | -124.2 | 0 | 0 | 0 | 113.5 | Y19 S116 A120 I121 S122 A183 V187 H202 | Y19-W118 AromaticContact CD2-CE3 3.83Å; Y19-W118 HydrophobicContact CD2-CE3 3.83Å; Y19-W118 HydrophobicContact CD2-CZ3 4.16Å; Y19-W118 HydrophobicContact CE1-CZ3 4.36Å; Y19-W118 HydrophobicContact CE2-CD2 4.11Å; Y19-W118 AromaticContact CE2-CE3 3.28Å; Y19-W118 HydrophobicContact CE2-CE3 3.28Å; Y19-W118 AromaticContact CE2-CZ3 3.75Å; Y19-W118 HydrophobicContact CE2-CZ3 3.75Å; Y19-W118 AromaticContact CZ-CE3 3.74Å; Y19-W118 AromaticContact CZ-CZ3 3.85Å; S116-W118 PolarHBondContact O-N 2.84Å; W118-A120 PolarHBondContact O-N 3.45Å; W118-I121 HydrophobicContact CE3-CD1 4.49Å; W118-I121 HydrophobicContact CZ3-CG2 4.42Å; W118-I121 PolarHBondContact O-N 2.75Å; W118-S122 PolarHBondContact O-N 2.88Å; W118-S122 PolarHBondContact O-OG 3.31Å; W118-A183 HydrophobicContact CH2-CB 3.73Å; W118-A183 VanDerWaalsContact CZ2-CA 3.44Å; W118-A183 HydrophobicContact CZ2-CB 3.87Å; W118-A183 WeakPolarHBondContact CZ2-O 3.35Å; W118-V187 HydrophobicContact CH2-CG2 4.05Å; W118-V187 HydrophobicContact CZ2-CG2 4.25Å; W118-H202 AromaticContact CD1-CE1 3.18Å; W118-H202 AromaticContact CD1-NE2 2.89Å; W118-H202 AromaticContact CE2-CE1 3.58Å; W118-H202 AromaticContact CG-CE1 3.83Å; W118-H202 AromaticContact CG-NE2 3.58Å; W118-H202 AromaticContact NE1-CE1 3.04Å; W118-H202 PolarHBondContact NE1-CE1 2.92Å; W118-H202 AromaticContact NE1-NE2 3.3Å; W118-H202 PolarHBondContact NE1-NE2 3.32Å |
| 119 | P | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57 | -36.5 | 170.3 | -17.6 | 21.6 | 0 | 0 | 0 | 113.5 | K64 M71 G115 S116 S122 K123 | K64-P119 HydrophobicContact CG-CG 4.48Å; M71-P119 HydrophobicContact CG-CB 3.97Å; G115-P119 WeakPolarHBondContact O-CD 3.3Å; S116-P119 WeakPolarHBondContact O-CD 3.29Å; P119-S122 WeakPolarHBondContact CA-OG 3.35Å; P119-S122 PolarHBondContact O-OG 2.8Å; P119-K123 WeakPolarHBondContact O-CB 3.34Å; P119-K123 PolarHBondContact O-N 3.5Å |
| 120 | A | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.1 | -44.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | M71 P76 F80 S116 S117 W118 T124 | M71-A120 HydrophobicContact CE-CB 3.79Å; M71-A120 HydrophobicContact SD-CB 3.87Å; P76-A120 HydrophobicContact CB-CB 4.39Å; P76-A120 WeakPolarHBondContact O-CB 3.2Å; F80-A120 HydrophobicContact CB-CB 3.8Å; F80-A120 HydrophobicContact CD2-CB 4.38Å; F80-A120 HydrophobicContact CG-CB 4.5Å; S116-A120 VanDerWaalsContact O-CB 3.25Å; S116-A120 WeakPolarHBondContact O-CB 3.22Å; S116-A120 PolarHBondContact O-N 2.95Å; S116-A120 VanDerWaalsContact O-N 3.14Å; S117-A120 PolarHBondContact O-N 2.98Å; W118-A120 PolarHBondContact O-N 3.45Å; A120-T124 VanDerWaalsContact O-CB 3.27Å; A120-T124 WeakPolarHBondContact O-CB 3.42Å; A120-T124 PolarHBondContact O-N 2.86Å; A120-T124 PolarHBondContact O-OG1 2.67Å |
| 121 | I | 91.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 176 | -68.2 | 159.8 | 0 | 0 | 0 | 110.5 | L15 Y19 F80 S117 W118 K123 T124 L125 | L15-I121 HydrophobicContact CD2-CG1 4.24Å; L15-I121 HydrophobicContact CD2-CG2 4.47Å; Y19-I121 HydrophobicContact CD2-CD1 3.51Å; Y19-I121 HydrophobicContact CE2-CD1 4.49Å; Y19-I121 HydrophobicContact CG-CD1 4.06Å; F80-I121 HydrophobicContact CD2-CD1 4.07Å; F80-I121 HydrophobicContact CD2-CG1 3.73Å; F80-I121 HydrophobicContact CE1-CG1 4.23Å; F80-I121 HydrophobicContact CE2-CD1 3.3Å; F80-I121 HydrophobicContact CE2-CG1 3.42Å; F80-I121 VanDerWaalsContact CE2-CG1 3.42Å; F80-I121 HydrophobicContact CG-CG1 4.27Å; F80-I121 HydrophobicContact CZ-CD1 3.58Å; F80-I121 HydrophobicContact CZ-CG1 3.69Å; S117-I121 WeakPolarHBondContact O-CD1 3.46Å; S117-I121 VanDerWaalsContact O-CG1 3.31Å; S117-I121 WeakPolarHBondContact O-CG1 3.46Å; S117-I121 PolarHBondContact O-N 2.94Å; W118-I121 HydrophobicContact CE3-CD1 4.49Å; W118-I121 HydrophobicContact CZ3-CG2 4.42Å; W118-I121 PolarHBondContact O-N 2.75Å; I121-K123 VanDerWaalsContact C-N 3.34Å; I121-K123 PolarHBondContact O-N 3.17Å; I121-T124 PolarHBondContact O-N 3.39Å; I121-L125 VanDerWaalsContact O-CB 3.29Å; I121-L125 WeakPolarHBondContact O-CB 3.31Å; I121-L125 PolarHBondContact O-N 3.42Å |
| 122 | S | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | -177.3 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | W118 P119 L125 R126 V190 H202 | W118-S122 PolarHBondContact O-N 2.88Å; W118-S122 PolarHBondContact O-OG 3.31Å; P119-S122 WeakPolarHBondContact CA-OG 3.35Å; P119-S122 PolarHBondContact O-OG 2.8Å; S122-L125 PolarHBondContact O-N 2.87Å; S122-R126 PolarHBondContact O-N 3.49Å; S122-V190 WeakPolarHBondContact OG-CG2 3.23Å; S122-H202 PolarHBondContact OG-CE1 3.18Å; S122-H202 VanDerWaalsContact OG-CE1 3.31Å; S122-H202 PolarHBondContact OG-ND1 3.46Å |
| 123 | K | 91.4 | Very high | 88.3 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 8% | 0.078 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -38.2 | 175 | -166.1 | 168.7 | -171.3 | 164.8 | 0 | 113.2 | M71 D72 P76 P119 I121 L125 R126 T127 V190 S198 | M71-K123 HydrophobicContact CB-CD 3.9Å; M71-K123 WeakPolarHBondContact O-CD 3.32Å; M71-K123 WeakPolarHBondContact O-CE 3.23Å; M71-K123 PolarHBondContact O-NZ 3.09Å; D72-K123 VanDerWaalsContact CA-NZ 3.27Å; D72-K123 IonicContact OD1-NZ 2.81Å; D72-K123 PolarHBondContact OD1-NZ 3.42Å; P76-K123 HydrophobicContact CB-CB 4.07Å; P76-K123 HydrophobicContact CB-CD 4.46Å; P76-K123 HydrophobicContact CB-CG 4.37Å; P76-K123 HydrophobicContact CG-CB 4.26Å; P76-K123 HydrophobicContact CG-CD 4.34Å; P76-K123 HydrophobicContact CG-CG 4.12Å; P119-K123 WeakPolarHBondContact O-CB 3.34Å; P119-K123 PolarHBondContact O-N 3.5Å; I121-K123 VanDerWaalsContact C-N 3.34Å; I121-K123 PolarHBondContact O-N 3.17Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.45Å; K123-R126 PolarHBondContact O-N 2.92Å; K123-T127 HydrophobicContact CG-CG2 4.5Å; K123-T127 WeakPolarHBondContact O-CB 3.21Å; K123-T127 WeakPolarHBondContact O-CG2 3.34Å; K123-T127 PolarHBondContact O-N 2.74Å; K123-T127 PolarHBondContact O-OG1 3.35Å; K123-V190 HydrophobicContact CB-CG1 4.49Å; K123-S198 VanDerWaalsContact CE-OG 3.25Å; K123-S198 WeakPolarHBondContact CE-OG 3.41Å; K123-S198 PolarHBondContact NZ-OG 2.92Å |
| 124 | T | 91.3 | Very high | 88 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.2 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | L11 L15 L77 A120 I121 T127 R128 | L11-T124 HydrophobicContact CD2-CG2 4.43Å; L15-T124 HydrophobicContact CD1-CG2 4.16Å; L15-T124 HydrophobicContact CD2-CG2 4.49Å; L77-T124 HydrophobicContact CD1-CG2 4.33Å; A120-T124 VanDerWaalsContact O-CB 3.27Å; A120-T124 WeakPolarHBondContact O-CB 3.42Å; A120-T124 PolarHBondContact O-N 2.86Å; A120-T124 PolarHBondContact O-OG1 2.67Å; I121-T124 PolarHBondContact O-N 3.39Å; T124-T127 PolarHBondContact O-N 2.96Å; T124-T127 PolarHBondContact O-OG1 3.42Å; T124-R128 HydrophobicContact CG2-CG 4.13Å; T124-R128 VanDerWaalsContact O-CB 3.29Å; T124-R128 WeakPolarHBondContact O-CB 3.43Å; T124-R128 WeakPolarHBondContact O-CG 3.43Å; T124-R128 PolarHBondContact O-N 2.88Å |
| 125 | L | 89 | Confident | 87.9 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 176.8 | -176.2 | 61.6 | 0 | 0 | 0 | 111.1 | L12 I121 S122 K123 T127 I129 V187 | L12-L125 HydrophobicContact CD1-CD1 4.48Å; I121-L125 VanDerWaalsContact O-CB 3.29Å; I121-L125 WeakPolarHBondContact O-CB 3.31Å; I121-L125 PolarHBondContact O-N 3.42Å; S122-L125 PolarHBondContact O-N 2.87Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.45Å; L125-T127 PolarHBondContact O-N 3.49Å; L125-I129 HydrophobicContact CD1-CB 3.8Å; L125-I129 HydrophobicContact CD1-CD1 3.32Å; L125-I129 HydrophobicContact CD1-CG1 4.08Å; L125-I129 HydrophobicContact CD1-CG2 3.95Å; L125-I129 WeakPolarHBondContact O-CA 3.4Å; L125-I129 WeakPolarHBondContact O-CB 3.25Å; L125-I129 PolarHBondContact O-N 3.49Å; L125-I129 VanDerWaalsContact O-O 3.06Å; L125-V187 HydrophobicContact CD2-CG1 3.84Å; L125-V187 HydrophobicContact CD2-CG2 3.98Å; L125-V187 HydrophobicContact CG-CG1 4.44Å |
| 126 | R | 87.9 | Confident | 87.9 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 21% | 0.208 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 174.5 | 172 | 179.5 | 172.6 | 107.8 | 6.3 | 112.7 | S122 K123 V190 E191 A193 | S122-R126 PolarHBondContact O-N 3.49Å; K123-R126 PolarHBondContact O-N 2.92Å; R126-V190 HydrophobicContact CB-CG1 3.76Å; R126-V190 VanDerWaalsContact CD-O 3.3Å; R126-V190 WeakPolarHBondContact CD-O 3.3Å; R126-V190 HydrophobicContact CG-CG1 4.25Å; R126-V190 PolarHBondContact NH1-O 3.3Å; R126-E191 PolarHBondContact NH1-O 2.9Å; R126-A193 PolarHBondContact NH1-O 3.24Å; R126-A193 PolarHBondContact NH2-O 3.44Å |
| 127 | T | 86.7 | Confident | 88 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -83.1 | -25.3 | -169.5 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | K123 T124 L125 | K123-T127 HydrophobicContact CG-CG2 4.5Å; K123-T127 WeakPolarHBondContact O-CB 3.21Å; K123-T127 WeakPolarHBondContact O-CG2 3.34Å; K123-T127 PolarHBondContact O-N 2.74Å; K123-T127 PolarHBondContact O-OG1 3.35Å; T124-T127 PolarHBondContact O-N 2.96Å; T124-T127 PolarHBondContact O-OG1 3.42Å; L125-T127 PolarHBondContact O-N 3.49Å |
| 128 | R | 84.7 | Confident | 88.1 | Confident | 133 Ų | 133 | 55 Ų | 55 | 50% | 0.502 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -115.1 | -13.6 | -171.8 | -55.5 | -69 | -90.2 | -92.8 | -2.7 | 113.8 | L11 T124 | L11-R128 HydrophobicContact CD2-CB 3.95Å; L11-R128 HydrophobicContact CD2-CG 4.33Å; T124-R128 HydrophobicContact CG2-CG 4.13Å; T124-R128 VanDerWaalsContact O-CB 3.29Å; T124-R128 WeakPolarHBondContact O-CB 3.43Å; T124-R128 WeakPolarHBondContact O-CG 3.43Å; T124-R128 PolarHBondContact O-N 2.88Å |
| 129 | I | 81.5 | Confident | 88.4 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 19% | 0.185 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -128.4 | 147.9 | -178.8 | -62.8 | 166.6 | 0 | 0 | 0 | 107.7 | L12 L125 S131 | L12-I129 HydrophobicContact CB-CD1 4.26Å; L12-I129 HydrophobicContact CD1-CD1 3.96Å; L125-I129 HydrophobicContact CD1-CB 3.8Å; L125-I129 HydrophobicContact CD1-CD1 3.32Å; L125-I129 HydrophobicContact CD1-CG1 4.08Å; L125-I129 HydrophobicContact CD1-CG2 3.95Å; L125-I129 WeakPolarHBondContact O-CA 3.4Å; L125-I129 WeakPolarHBondContact O-CB 3.25Å; L125-I129 PolarHBondContact O-N 3.49Å; L125-I129 VanDerWaalsContact O-O 3.06Å; I129-S131 PolarHBondContact O-N 3.42Å |
| 130 | S | 76.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -54.5 | 125.6 | 178.2 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | W132 | S130-W132 VanDerWaalsContact CB-NE1 3.27Å; S130-W132 PolarHBondContact O-NE1 2.94Å; S130-W132 PolarHBondContact OG-NE1 3.01Å | ||
| 131 | S | 77.9 | Confident | 88.6 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | trans | -81.9 | 126.3 | 173.7 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | I129 E191 | I129-S131 PolarHBondContact O-N 3.42Å; S131-E191 WeakPolarHBondContact CA-OE1 3.25Å | ||
| 132 | W | 82.9 | Confident | 88.9 | Confident | 108 Ų | 108 | 62.6 Ų | 62.6 | 41% | 0.409 | 29% | 0.293 | S | S | . | . | trans | -128 | 68.6 | 178.2 | -55.1 | 86.9 | 0 | 0 | 0 | 109.8 | S130 R134 R135 R136 | S130-W132 VanDerWaalsContact CB-NE1 3.27Å; S130-W132 PolarHBondContact O-NE1 2.94Å; S130-W132 PolarHBondContact OG-NE1 3.01Å; W132-R134 VanDerWaalsContact C-N 3.28Å; W132-R134 PolarHBondContact O-N 3.35Å; W132-R135 HydrophobicContact CB-CB 4.04Å; W132-R135 HydrophobicContact CB-CG 4.2Å; W132-R135 PolarHBondContact O-N 2.84Å; W132-R136 PolarHBondContact O-N 3.15Å; W132-R136 VanDerWaalsContact O-N 3.09Å | ||
| 133 | P | 84.8 | Confident | 89.1 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 26% | 0.26 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.5 | -42.9 | -171.6 | 20.3 | -32.3 | 0 | 0 | 0 | 111.9 | R135 R136 I137 L188 E191 L192 | P133-R135 PolarHBondContact O-N 3.4Å; P133-R136 PolarHBondContact O-N 3.24Å; P133-R136 VanDerWaalsContact O-N 3.13Å; P133-I137 VanDerWaalsContact O-CG1 3.32Å; P133-I137 WeakPolarHBondContact O-CG1 3.48Å; P133-I137 PolarHBondContact O-N 3.08Å; P133-L188 HydrophobicContact CB-CD1 3.97Å; P133-E191 WeakPolarHBondContact CA-OE2 3.45Å; P133-L192 HydrophobicContact CB-CD2 4.32Å |
| 134 | R | 88.2 | Confident | 89.3 | Confident | 206 Ų | 206 | 65.2 Ų | 65.2 | 78% | 0.777 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.6 | -43.3 | 176.7 | -72.2 | -169.4 | -98.2 | -151.1 | -3.7 | 113.8 | W132 I137 L138 | W132-R134 VanDerWaalsContact C-N 3.28Å; W132-R134 PolarHBondContact O-N 3.35Å; R134-I137 PolarHBondContact O-N 3.29Å; R134-L138 PolarHBondContact O-N 3.45Å |
| 135 | R | 90.1 | Very high | 89.6 | Confident | 161 Ų | 161 | 69.7 Ų | 69.7 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.5 | -36.6 | 177.8 | -64.9 | -173.2 | -171.7 | -165.7 | 2.6 | 111.2 | W132 P133 L139 | W132-R135 HydrophobicContact CB-CB 4.04Å; W132-R135 HydrophobicContact CB-CG 4.2Å; W132-R135 PolarHBondContact O-N 2.84Å; P133-R135 PolarHBondContact O-N 3.4Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.4Å; R135-L139 PolarHBondContact O-N 3.35Å; R135-L139 VanDerWaalsContact O-N 3.1Å |
| 136 | R | 91.4 | Very high | 90 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 13% | 0.125 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 176.4 | -68.7 | -174.7 | -160.4 | -97.5 | 5.3 | 112.1 | W132 P133 L138 L139 I140 E191 | W132-R136 PolarHBondContact O-N 3.15Å; W132-R136 VanDerWaalsContact O-N 3.09Å; P133-R136 PolarHBondContact O-N 3.24Å; P133-R136 VanDerWaalsContact O-N 3.13Å; R136-L138 VanDerWaalsContact C-N 3.32Å; R136-L138 PolarHBondContact O-N 3.04Å; R136-L139 PolarHBondContact O-N 3Å; R136-L139 VanDerWaalsContact O-N 3.17Å; R136-I140 WeakPolarHBondContact O-CD1 3.31Å; R136-I140 VanDerWaalsContact O-CG1 3.25Å; R136-I140 WeakPolarHBondContact O-CG1 3.25Å; R136-I140 PolarHBondContact O-N 3.43Å; R136-E191 VanDerWaalsContact CD-OE2 3.27Å; R136-E191 WeakPolarHBondContact CD-OE2 3.49Å; R136-E191 IonicContact CZ-OE1 3.15Å; R136-E191 IonicContact NE-OE1 2.78Å; R136-E191 PolarHBondContact NE-OE1 3.38Å; R136-E191 IonicContact NE-OE2 3.01Å; R136-E191 PolarHBondContact NE-OE2 3.44Å; R136-E191 IonicContact NH2-OE1 2.77Å; R136-E191 PolarHBondContact NH2-OE1 2.93Å |
| 137 | I | 94.2 | Very high | 90.4 | Very high | 10 Ų | 10 | 69.7 Ų | 69.7 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.4 | -52 | 175.2 | -71.9 | 165.1 | 0 | 0 | 0 | 109.3 | P133 R134 L139 I140 I141 L188 L247 F250 | P133-I137 VanDerWaalsContact O-CG1 3.32Å; P133-I137 WeakPolarHBondContact O-CG1 3.48Å; P133-I137 PolarHBondContact O-N 3.08Å; R134-I137 PolarHBondContact O-N 3.29Å; I137-L139 VanDerWaalsContact C-N 3.33Å; I137-L139 PolarHBondContact O-N 3.17Å; I137-I140 PolarHBondContact O-N 3.13Å; I137-I140 VanDerWaalsContact O-N 3.14Å; I137-I141 HydrophobicContact CG2-CD1 3.73Å; I137-I141 HydrophobicContact CG2-CG1 4.32Å; I137-I141 VanDerWaalsContact O-CG1 3.25Å; I137-I141 WeakPolarHBondContact O-CG1 3.4Å; I137-I141 PolarHBondContact O-N 3.25Å; I137-L188 HydrophobicContact CD1-CD1 4.23Å; I137-L188 HydrophobicContact CG1-CD1 3.83Å; I137-L188 HydrophobicContact CG1-CD2 3.66Å; I137-L188 HydrophobicContact CG1-CG 4.42Å; I137-L247 HydrophobicContact CG2-CB 4.28Å; I137-L247 WeakPolarHBondContact CG2-O 3.42Å; I137-F250 HydrophobicContact CD1-CB 3.93Å |
| 138 | L | 94.5 | Very high | 90.9 | Very high | 103 Ų | 103 | 66.3 Ų | 66.3 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 177.6 | -176.2 | 63.3 | 0 | 0 | 0 | 112.8 | R134 R136 I141 I142 | R134-L138 PolarHBondContact O-N 3.45Å; R136-L138 VanDerWaalsContact C-N 3.32Å; R136-L138 PolarHBondContact O-N 3.04Å; L138-I141 PolarHBondContact O-N 2.67Å; L138-I142 HydrophobicContact CD1-CD1 4.23Å; L138-I142 HydrophobicContact CG-CD1 3.97Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.25Å; L138-I142 PolarHBondContact O-N 3.18Å |
| 139 | L | 94.2 | Very high | 91.5 | Very high | 91 Ų | 91 | 61.8 Ų | 61.8 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 177.5 | -71.1 | 172 | 0 | 0 | 0 | 112.7 | R135 R136 I137 I142 Q143 L184 | R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.4Å; R135-L139 PolarHBondContact O-N 3.35Å; R135-L139 VanDerWaalsContact O-N 3.1Å; R136-L139 PolarHBondContact O-N 3Å; R136-L139 VanDerWaalsContact O-N 3.17Å; I137-L139 VanDerWaalsContact C-N 3.33Å; I137-L139 PolarHBondContact O-N 3.17Å; L139-I142 PolarHBondContact O-N 2.86Å; L139-Q143 WeakPolarHBondContact O-CB 3.37Å; L139-Q143 WeakPolarHBondContact O-CG 3.46Å; L139-Q143 PolarHBondContact O-N 3.5Å; L139-L184 HydrophobicContact CB-CD1 3.93Å |
| 140 | I | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 175.4 | -66.5 | 159 | 0 | 0 | 0 | 109.8 | R136 I137 I142 Q143 M144 L184 L188 L247 | R136-I140 WeakPolarHBondContact O-CD1 3.31Å; R136-I140 VanDerWaalsContact O-CG1 3.25Å; R136-I140 WeakPolarHBondContact O-CG1 3.25Å; R136-I140 PolarHBondContact O-N 3.43Å; I137-I140 PolarHBondContact O-N 3.13Å; I137-I140 VanDerWaalsContact O-N 3.14Å; I140-I142 VanDerWaalsContact C-N 3.34Å; I140-I142 PolarHBondContact O-N 3.25Å; I140-Q143 PolarHBondContact O-N 3.33Å; I140-M144 HydrophobicContact CG2-CG 4.19Å; I140-M144 WeakPolarHBondContact O-CB 3.26Å; I140-M144 WeakPolarHBondContact O-CG 3.38Å; I140-M144 PolarHBondContact O-N 2.82Å; I140-L184 HydrophobicContact CD1-CB 3.82Å; I140-L184 HydrophobicContact CG1-CB 3.41Å; I140-L184 VanDerWaalsContact CG1-CB 3.41Å; I140-L184 HydrophobicContact CG1-CD1 4.11Å; I140-L184 HydrophobicContact CG1-CG 4.43Å; I140-L188 HydrophobicContact CD1-CB 4.18Å; I140-L188 HydrophobicContact CD1-CD2 3.7Å; I140-L247 HydrophobicContact CB-CD1 4.29Å; I140-L247 HydrophobicContact CG2-CD1 3.5Å; I140-L247 VanDerWaalsContact CG2-CD1 3.5Å |
| 141 | I | 95.6 | Very high | 93.2 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 14% | 0.138 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.6 | -50.2 | 177.2 | -68.6 | 175.7 | 0 | 0 | 0 | 110 | I137 L138 Q143 M144 L145 V244 L247 | I137-I141 HydrophobicContact CG2-CD1 3.73Å; I137-I141 HydrophobicContact CG2-CG1 4.32Å; I137-I141 VanDerWaalsContact O-CG1 3.25Å; I137-I141 WeakPolarHBondContact O-CG1 3.4Å; I137-I141 PolarHBondContact O-N 3.25Å; L138-I141 PolarHBondContact O-N 2.67Å; I141-Q143 PolarHBondContact O-N 3.26Å; I141-M144 PolarHBondContact O-N 3.37Å; I141-L145 HydrophobicContact CG2-CD1 3.89Å; I141-L145 HydrophobicContact CG2-CG 4.43Å; I141-L145 WeakPolarHBondContact O-CB 3.33Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.49Å; I141-L145 PolarHBondContact O-N 3.17Å; I141-V244 HydrophobicContact CB-CG1 4.1Å; I141-V244 HydrophobicContact CD1-CG1 4.44Å; I141-V244 HydrophobicContact CG1-CG1 3.84Å; I141-V244 HydrophobicContact CG2-CG1 3.62Å; I141-L247 HydrophobicContact CD1-CB 4.34Å; I141-L247 HydrophobicContact CG1-CB 4.16Å |
| 142 | I | 96.2 | Very high | 94 | Very high | 77 Ų | 77 | 61.5 Ų | 61.5 | 40% | 0.395 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 178.4 | -68.8 | 165.3 | 0 | 0 | 0 | 111.1 | L138 L139 I140 M144 L145 I146 | L138-I142 HydrophobicContact CD1-CD1 4.23Å; L138-I142 HydrophobicContact CG-CD1 3.97Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.25Å; L138-I142 PolarHBondContact O-N 3.18Å; L139-I142 PolarHBondContact O-N 2.86Å; I140-I142 VanDerWaalsContact C-N 3.34Å; I140-I142 PolarHBondContact O-N 3.25Å; I142-M144 PolarHBondContact O-N 3.01Å; I142-L145 PolarHBondContact O-N 3.34Å; I142-I146 HydrophobicContact CG2-CD1 3.81Å; I142-I146 VanDerWaalsContact O-CG1 3.26Å; I142-I146 WeakPolarHBondContact O-CG1 3.36Å; I142-I146 PolarHBondContact O-N 2.99Å |
| 143 | Q | 96.3 | Very high | 94.6 | Very high | 42 Ų | 42 | 59 Ų | 59 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 178.9 | -75.7 | 179.4 | -9.3 | 0 | 0 | 112.5 | L139 I140 I141 I146 A147 T177 A181 | L139-Q143 WeakPolarHBondContact O-CB 3.37Å; L139-Q143 WeakPolarHBondContact O-CG 3.46Å; L139-Q143 PolarHBondContact O-N 3.5Å; I140-Q143 PolarHBondContact O-N 3.33Å; I141-Q143 PolarHBondContact O-N 3.26Å; Q143-I146 PolarHBondContact O-N 3.33Å; Q143-A147 WeakPolarHBondContact O-CB 3.28Å; Q143-A147 PolarHBondContact O-N 3.37Å; Q143-T177 WeakPolarHBondContact O-CB 3.37Å; Q143-A181 HydrophobicContact CB-CB 4.16Å; Q143-A181 VanDerWaalsContact OE1-CA 3.29Å |
| 144 | M | 96 | Very high | 95.1 | Very high | 31 Ų | 31 | 58 Ų | 58 | 15% | 0.153 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.4 | -36.4 | 178 | -68 | -52.5 | -167.2 | 0 | 0 | 112.4 | I140 I141 I142 A147 S148 A181 C240 V244 | I140-M144 HydrophobicContact CG2-CG 4.19Å; I140-M144 WeakPolarHBondContact O-CB 3.26Å; I140-M144 WeakPolarHBondContact O-CG 3.38Å; I140-M144 PolarHBondContact O-N 2.82Å; I141-M144 PolarHBondContact O-N 3.37Å; I142-M144 PolarHBondContact O-N 3.01Å; M144-A147 PolarHBondContact O-N 3.14Å; M144-S148 VanDerWaalsContact O-CB 3.3Å; M144-S148 WeakPolarHBondContact O-CB 3.28Å; M144-S148 PolarHBondContact O-N 3.45Å; M144-A181 HydrophobicContact CE-CB 3.33Å; M144-A181 HydrophobicContact CG-CB 4.29Å; M144-A181 HydrophobicContact SD-CB 3.67Å; M144-C240 PolarHBondContact O-SG 3.19Å; M144-V244 HydrophobicContact CB-CG2 3.63Å |
| 145 | L | 96.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 173.9 | -71 | 174.3 | 0 | 0 | 0 | 111.8 | I141 I142 S148 G149 V244 | I141-L145 HydrophobicContact CG2-CD1 3.89Å; I141-L145 HydrophobicContact CG2-CG 4.43Å; I141-L145 WeakPolarHBondContact O-CB 3.33Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.49Å; I141-L145 PolarHBondContact O-N 3.17Å; I142-L145 PolarHBondContact O-N 3.34Å; L145-S148 PolarHBondContact O-N 3.1Å; L145-G149 PolarHBondContact O-N 3.36Å; L145-V244 HydrophobicContact CD2-CG2 4.36Å; L145-V244 HydrophobicContact CG-CG2 4.43Å |
| 146 | I | 97.6 | Very high | 95.5 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.5 | -63.4 | 165.9 | 0 | 0 | 0 | 109.8 | I142 Q143 S148 G149 T150 T173 T177 | I142-I146 HydrophobicContact CG2-CD1 3.81Å; I142-I146 VanDerWaalsContact O-CG1 3.26Å; I142-I146 WeakPolarHBondContact O-CG1 3.36Å; I142-I146 PolarHBondContact O-N 2.99Å; Q143-I146 PolarHBondContact O-N 3.33Å; I146-S148 PolarHBondContact O-N 3.45Å; I146-G149 PolarHBondContact O-N 2.86Å; I146-T150 HydrophobicContact CG2-CG2 4.29Å; I146-T150 WeakPolarHBondContact O-CG2 3.42Å; I146-T150 PolarHBondContact O-N 2.89Å; I146-T150 PolarHBondContact O-OG1 3.12Å; I146-T150 VanDerWaalsContact O-OG1 3.06Å; I146-T173 HydrophobicContact CG2-CG2 3.99Å; I146-T177 HydrophobicContact CB-CG2 3.92Å; I146-T177 HydrophobicContact CG2-CG2 3.67Å |
| 147 | A | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q143 M144 T150 L151 V178 | Q143-A147 WeakPolarHBondContact O-CB 3.28Å; Q143-A147 PolarHBondContact O-N 3.37Å; M144-A147 PolarHBondContact O-N 3.14Å; A147-T150 VanDerWaalsContact CA-OG1 3.29Å; A147-T150 WeakPolarHBondContact CA-OG1 3.24Å; A147-T150 PolarHBondContact O-N 3.28Å; A147-T150 PolarHBondContact O-OG1 3.19Å; A147-L151 WeakPolarHBondContact O-CG 3.46Å; A147-L151 PolarHBondContact O-N 2.81Å; A147-V178 HydrophobicContact CB-CG2 4.12Å |
| 148 | S | 97.2 | Very high | 95.3 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57 | -51.9 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | M144 L145 I146 T150 L151 M152 G237 | M144-S148 VanDerWaalsContact O-CB 3.3Å; M144-S148 WeakPolarHBondContact O-CB 3.28Å; M144-S148 PolarHBondContact O-N 3.45Å; L145-S148 PolarHBondContact O-N 3.1Å; I146-S148 PolarHBondContact O-N 3.45Å; S148-T150 VanDerWaalsContact C-N 3.32Å; S148-T150 PolarHBondContact O-N 3.03Å; S148-L151 PolarHBondContact O-N 2.86Å; S148-M152 WeakPolarHBondContact O-CG 3.39Å; S148-M152 PolarHBondContact O-N 3.06Å; S148-G237 WeakPolarHBondContact CB-O 3.47Å; S148-G237 PolarHBondContact OG-O 2.63Å |
| 149 | G | 96.9 | Very high | 94.9 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L145 I146 M152 C153 | L145-G149 PolarHBondContact O-N 3.36Å; I146-G149 PolarHBondContact O-N 2.86Å; G149-M152 PolarHBondContact O-N 3.31Å; G149-C153 WeakPolarHBondContact O-CB 3.35Å; G149-C153 PolarHBondContact O-N 3.3Å |
| 150 | T | 96.8 | Very high | 94.5 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | I146 A147 S148 C153 L154 T173 L174 | I146-T150 HydrophobicContact CG2-CG2 4.29Å; I146-T150 WeakPolarHBondContact O-CG2 3.42Å; I146-T150 PolarHBondContact O-N 2.89Å; I146-T150 PolarHBondContact O-OG1 3.12Å; I146-T150 VanDerWaalsContact O-OG1 3.06Å; A147-T150 VanDerWaalsContact CA-OG1 3.29Å; A147-T150 WeakPolarHBondContact CA-OG1 3.24Å; A147-T150 PolarHBondContact O-N 3.28Å; A147-T150 PolarHBondContact O-OG1 3.19Å; S148-T150 VanDerWaalsContact C-N 3.32Å; S148-T150 PolarHBondContact O-N 3.03Å; T150-C153 PolarHBondContact O-N 3.39Å; T150-L154 WeakPolarHBondContact O-CB 3.21Å; T150-L154 PolarHBondContact O-N 2.87Å; T150-T173 HydrophobicContact CG2-CG2 3.68Å; T150-L174 WeakPolarHBondContact OG1-CD2 3.17Å |
| 151 | L | 96.9 | Very high | 93.9 | Very high | 26 Ų | 26 | 60.3 Ų | 60.3 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 174.2 | -73.6 | 171.3 | 0 | 0 | 0 | 111.5 | A147 S148 L154 S155 L174 F233 A236 C240 | A147-L151 WeakPolarHBondContact O-CG 3.46Å; A147-L151 PolarHBondContact O-N 2.81Å; S148-L151 PolarHBondContact O-N 2.86Å; L151-L154 PolarHBondContact O-N 2.91Å; L151-S155 WeakPolarHBondContact O-CB 3.3Å; L151-S155 PolarHBondContact O-N 2.93Å; L151-L174 HydrophobicContact CD2-CD1 4.2Å; L151-L174 HydrophobicContact CD2-CD2 4.01Å; L151-L174 HydrophobicContact CG-CD2 3.92Å; L151-F233 HydrophobicContact CD2-CD1 4.41Å; L151-A236 HydrophobicContact CD1-CB 4.04Å; L151-C240 HydrophobicContact CD1-CB 4.32Å |
| 152 | M | 95.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 60.4 Ų | 60.4 | 44% | 0.438 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 174.1 | -65.6 | 177.2 | 74.8 | 0 | 0 | 111.6 | S148 G149 S155 W156 L234 | S148-M152 WeakPolarHBondContact O-CG 3.39Å; S148-M152 PolarHBondContact O-N 3.06Å; G149-M152 PolarHBondContact O-N 3.31Å; M152-S155 WeakPolarHBondContact O-CB 3.33Å; M152-S155 PolarHBondContact O-N 2.99Å; M152-W156 PolarHBondContact O-N 3.45Å; M152-L234 HydrophobicContact CE-CD1 4.24Å; M152-L234 HydrophobicContact CG-CD1 4.32Å |
| 153 | C | 94.4 | Very high | 93 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 172.3 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | G149 T150 S155 W156 I157 | G149-C153 WeakPolarHBondContact O-CB 3.35Å; G149-C153 PolarHBondContact O-N 3.3Å; T150-C153 PolarHBondContact O-N 3.39Å; C153-S155 VanDerWaalsContact C-N 3.34Å; C153-S155 PolarHBondContact O-N 3.49Å; C153-W156 PolarHBondContact O-N 2.87Å; C153-I157 WeakPolarHBondContact O-CB 3.44Å; C153-I157 WeakPolarHBondContact O-CG1 3.42Å; C153-I157 PolarHBondContact O-N 3.31Å; C153-I157 VanDerWaalsContact SG-CD1 3.53Å |
| 154 | L | 95 | Very high | 92.8 | Very high | 20 Ų | 20 | 63.7 Ų | 63.7 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 176 | -177.9 | 61.1 | 0 | 0 | 0 | 112.1 | T150 L151 W156 I157 T158 L167 I170 L174 F233 | T150-L154 WeakPolarHBondContact O-CB 3.21Å; T150-L154 PolarHBondContact O-N 2.87Å; L151-L154 PolarHBondContact O-N 2.91Å; L154-W156 VanDerWaalsContact C-N 3.34Å; L154-W156 PolarHBondContact O-N 3.46Å; L154-I157 PolarHBondContact O-N 3.42Å; L154-T158 WeakPolarHBondContact O-CB 3.5Å; L154-T158 PolarHBondContact O-N 2.94Å; L154-T158 PolarHBondContact O-OG1 2.83Å; L154-L167 HydrophobicContact CD1-CD2 4.15Å; L154-I170 HydrophobicContact CB-CG2 4.3Å; L154-I170 HydrophobicContact CD1-CD1 4.29Å; L154-I170 HydrophobicContact CD1-CG2 4.29Å; L154-I170 HydrophobicContact CD2-CG2 4.39Å; L154-L174 HydrophobicContact CD2-CD1 4.45Å; L154-F233 HydrophobicContact CD2-CD1 3.93Å; L154-F233 HydrophobicContact CD2-CD2 4.05Å; L154-F233 HydrophobicContact CD2-CE1 3.83Å; L154-F233 HydrophobicContact CD2-CE2 3.94Å; L154-F233 HydrophobicContact CD2-CG 4.06Å; L154-F233 HydrophobicContact CD2-CZ 3.84Å; L154-F233 HydrophobicContact CG-CD2 3.86Å; L154-F233 HydrophobicContact CG-CE2 3.98Å; L154-F233 HydrophobicContact CG-CG 4.17Å; L154-F233 HydrophobicContact CG-CZ 4.4Å |
| 155 | S | 94.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 66.7 Ų | 66.7 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.3 | -49.9 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | L151 M152 C153 T158 N159 S230 | L151-S155 WeakPolarHBondContact O-CB 3.3Å; L151-S155 PolarHBondContact O-N 2.93Å; M152-S155 WeakPolarHBondContact O-CB 3.33Å; M152-S155 PolarHBondContact O-N 2.99Å; C153-S155 VanDerWaalsContact C-N 3.34Å; C153-S155 PolarHBondContact O-N 3.49Å; S155-T158 PolarHBondContact O-N 3.5Å; S155-N159 PolarHBondContact O-ND2 3.22Å; S155-S230 VanDerWaalsContact CB-O 3.32Å; S155-S230 WeakPolarHBondContact CB-O 3.34Å; S155-S230 WeakPolarHBondContact O-CB 3.37Å; S155-S230 PolarHBondContact O-OG 3.27Å; S155-S230 VanDerWaalsContact O-OG 3.12Å; S155-S230 PolarHBondContact OG-O 2.95Å; S155-S230 PolarHBondContact OG-OG 3.39Å |
| 156 | W | 92.6 | Very high | 92.4 | Very high | 173 Ų | 173 | 65.7 Ų | 65.7 | 66% | 0.655 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.1 | -47.2 | 178.8 | -178 | 47.3 | 0 | 0 | 0 | 112.4 | M152 C153 L154 T158 N159 H160 | M152-W156 PolarHBondContact O-N 3.45Å; C153-W156 PolarHBondContact O-N 2.87Å; L154-W156 VanDerWaalsContact C-N 3.34Å; L154-W156 PolarHBondContact O-N 3.46Å; W156-T158 PolarHBondContact O-N 3.39Å; W156-N159 PolarHBondContact O-N 3.21Å; W156-H160 AromaticContact CE2-NE2 3.9Å; W156-H160 AromaticContact NE1-CD2 3.85Å; W156-H160 AromaticContact NE1-NE2 3.39Å; W156-H160 PolarHBondContact NE1-NE2 3.45Å; W156-H160 PolarHBondContact O-CD2 2.89Å |
| 157 | I | 91.9 | Very high | 92.1 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.4 | -28.8 | -178.9 | -71.2 | 170.6 | 0 | 0 | 0 | 112 | C153 L154 N159 H160 A162 I166 I170 | C153-I157 WeakPolarHBondContact O-CB 3.44Å; C153-I157 WeakPolarHBondContact O-CG1 3.42Å; C153-I157 PolarHBondContact O-N 3.31Å; C153-I157 VanDerWaalsContact SG-CD1 3.53Å; L154-I157 PolarHBondContact O-N 3.42Å; I157-N159 PolarHBondContact O-N 3.07Å; I157-H160 CarbonylContact O-C 3.45Å; I157-H160 WeakPolarHBondContact O-CA 3.36Å; I157-H160 PolarHBondContact O-N 3.13Å; I157-A162 HydrophobicContact CG2-CB 3.29Å; I157-I166 HydrophobicContact CD1-CG2 4.01Å; I157-I170 HydrophobicContact CD1-CD1 3.78Å |
| 158 | T | 89 | Confident | 92 | Very high | 57 Ų | 57 | 70.2 Ų | 70.2 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.6 | -28.6 | -179.9 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | L154 S155 W156 H160 W229 | L154-T158 WeakPolarHBondContact O-CB 3.5Å; L154-T158 PolarHBondContact O-N 2.94Å; L154-T158 PolarHBondContact O-OG1 2.83Å; S155-T158 PolarHBondContact O-N 3.5Å; W156-T158 PolarHBondContact O-N 3.39Å; T158-H160 VanDerWaalsContact C-N 3.3Å; T158-W229 HydrophobicContact CG2-CB 3.87Å |
| 159 | N | 86.5 | Confident | 91.9 | Very high | 99 Ų | 99 | 74.4 Ų | 74.4 | 53% | 0.529 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.7 | 176.1 | -57.3 | -56.5 | 0 | 0 | 0 | 113.3 | S155 W156 I157 S230 | S155-N159 PolarHBondContact O-ND2 3.22Å; W156-N159 PolarHBondContact O-N 3.21Å; I157-N159 PolarHBondContact O-N 3.07Å; N159-S230 VanDerWaalsContact ND2-CB 3.33Å; N159-S230 WeakPolarHBondContact ND2-CB 3.45Å; N159-S230 PolarHBondContact ND2-OG 3.27Å; N159-S230 WeakPolarHBondContact OD1-CB 3.49Å |
| 160 | H | 86.4 | Confident | 91.8 | Very high | 112 Ų | 112 | 73.3 Ų | 73.3 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -112.5 | 145.6 | 178.2 | -64.9 | -64.4 | 0 | 0 | 0 | 109.6 | W156 I157 T158 A162 | W156-H160 AromaticContact CE2-NE2 3.9Å; W156-H160 AromaticContact NE1-CD2 3.85Å; W156-H160 AromaticContact NE1-NE2 3.39Å; W156-H160 PolarHBondContact NE1-NE2 3.45Å; W156-H160 PolarHBondContact O-CD2 2.89Å; I157-H160 CarbonylContact O-C 3.45Å; I157-H160 WeakPolarHBondContact O-CA 3.36Å; I157-H160 PolarHBondContact O-N 3.13Å; T158-H160 VanDerWaalsContact C-N 3.3Å; H160-A162 VanDerWaalsContact C-N 3.32Å; H160-A162 PolarHBondContact O-N 3.22Å |
| 161 | N | 82.4 | Confident | 91.6 | Very high | 176 Ų | 176 | 75.8 Ų | 75.8 | 94% | 0.941 | 41% | 0.407 | S | S | * | . | trans | -71.1 | 89.8 | 179.3 | -164.1 | 21 | 0 | 0 | 0 | 110 | ||||
| 162 | A | 82.8 | Confident | 91.5 | Very high | 30 Ų | 30 | 80 Ų | 80 | 25% | 0.248 | 43% | 0.429 | C | S | . | . | trans | -78 | 141.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | I157 H160 L167 | I157-A162 HydrophobicContact CG2-CB 3.29Å; H160-A162 VanDerWaalsContact C-N 3.32Å; H160-A162 PolarHBondContact O-N 3.22Å; A162-L167 HydrophobicContact CB-CD2 4.38Å; A162-L167 HydrophobicContact CB-CG 4.28Å | ||
| 163 | S | 90.3 | Very high | 91.5 | Very high | 58 Ų | 58 | 77.8 Ų | 77.8 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | trans | -69.6 | 147 | 172.3 | 69.3 | 0 | 0 | 0 | 0 | 111.3 | T165 I166 L167 | S163-T165 PolarHBondContact O-N 3.41Å; S163-I166 PolarHBondContact O-N 3.1Å; S163-I166 VanDerWaalsContact O-N 3.11Å; S163-I166 WeakPolarHBondContact OG-CD1 3.17Å; S163-I166 WeakPolarHBondContact OG-CG1 3.11Å; S163-L167 PolarHBondContact O-N 3.1Å | ||
| 164 | L | 91.2 | Very high | 91.6 | Very high | 129 Ų | 129 | 76.6 Ų | 76.6 | 68% | 0.675 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -54.1 | -37.8 | 177 | -176.8 | 68.6 | 0 | 0 | 0 | 112.1 | I166 L167 L168 | L164-I166 PolarHBondContact O-N 2.84Å; L164-L167 PolarHBondContact O-N 2.85Å; L164-L168 HydrophobicContact CG-CD1 4.29Å; L164-L168 HydrophobicContact CG-CG 4.47Å; L164-L168 WeakPolarHBondContact O-CG 3.37Å; L164-L168 PolarHBondContact O-N 2.83Å |
| 165 | T | 92.6 | Very high | 91.4 | Very high | 94 Ų | 94 | 77 Ų | 77 | 58% | 0.577 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 179.2 | -48.5 | 0 | 0 | 0 | 0 | 112.3 | S163 L168 I169 | S163-T165 PolarHBondContact O-N 3.41Å; T165-L168 PolarHBondContact O-N 3.38Å; T165-I169 HydrophobicContact CG2-CD1 4.26Å; T165-I169 WeakPolarHBondContact O-CG1 3.31Å; T165-I169 PolarHBondContact O-N 3.35Å |
| 166 | I | 92.6 | Very high | 91.3 | Very high | 76 Ų | 76 | 81.8 Ų | 81.8 | 39% | 0.39 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 178.2 | -67.2 | 169.1 | 0 | 0 | 0 | 110 | I157 S163 L164 L168 I169 I170 | I157-I166 HydrophobicContact CD1-CG2 4.01Å; S163-I166 PolarHBondContact O-N 3.1Å; S163-I166 VanDerWaalsContact O-N 3.11Å; S163-I166 WeakPolarHBondContact OG-CD1 3.17Å; S163-I166 WeakPolarHBondContact OG-CG1 3.11Å; L164-I166 PolarHBondContact O-N 2.84Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 3.46Å; I166-I169 PolarHBondContact O-N 3.37Å; I166-I170 HydrophobicContact CG2-CD1 3.84Å; I166-I170 HydrophobicContact CG2-CG1 4.43Å; I166-I170 WeakPolarHBondContact O-CG1 3.24Å; I166-I170 PolarHBondContact O-N 3.26Å |
| 167 | L | 92.1 | Very high | 91.4 | Very high | 67 Ų | 67 | 73.9 Ų | 73.9 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 177 | -67.3 | 172.5 | 0 | 0 | 0 | 112.3 | L154 A162 S163 L164 S171 | L154-L167 HydrophobicContact CD1-CD2 4.15Å; A162-L167 HydrophobicContact CB-CD2 4.38Å; A162-L167 HydrophobicContact CB-CG 4.28Å; S163-L167 PolarHBondContact O-N 3.1Å; L164-L167 PolarHBondContact O-N 2.85Å; L167-S171 VanDerWaalsContact O-CB 3.31Å; L167-S171 WeakPolarHBondContact O-CB 3.41Å; L167-S171 PolarHBondContact O-N 3.38Å; L167-S171 PolarHBondContact O-OG 3.13Å |
| 168 | L | 93.7 | Very high | 91.5 | Very high | 107 Ų | 107 | 75.3 Ų | 75.3 | 56% | 0.56 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.3 | -42.3 | 174.8 | -71.4 | 174.4 | 0 | 0 | 0 | 112.3 | L164 T165 I166 S171 L172 | L164-L168 HydrophobicContact CG-CD1 4.29Å; L164-L168 HydrophobicContact CG-CG 4.47Å; L164-L168 WeakPolarHBondContact O-CG 3.37Å; L164-L168 PolarHBondContact O-N 2.83Å; T165-L168 PolarHBondContact O-N 3.38Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 3.46Å; L168-S171 PolarHBondContact O-N 2.93Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 PolarHBondContact O-N 3.46Å |
| 169 | I | 95.5 | Very high | 91.5 | Very high | 100 Ų | 100 | 76.6 Ų | 76.6 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 177 | -67 | 165.7 | 0 | 0 | 0 | 110.8 | T165 I166 L172 T173 | T165-I169 HydrophobicContact CG2-CD1 4.26Å; T165-I169 WeakPolarHBondContact O-CG1 3.31Å; T165-I169 PolarHBondContact O-N 3.35Å; I166-I169 PolarHBondContact O-N 3.37Å; I169-L172 PolarHBondContact O-N 2.88Å; I169-T173 WeakPolarHBondContact O-CB 3.49Å; I169-T173 PolarHBondContact O-N 3.43Å; I169-T173 PolarHBondContact O-OG1 3.08Å |
| 170 | I | 94.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.077 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 175.8 | -69 | 170.1 | 0 | 0 | 0 | 110.3 | L154 I157 I166 L172 T173 L174 | L154-I170 HydrophobicContact CB-CG2 4.3Å; L154-I170 HydrophobicContact CD1-CD1 4.29Å; L154-I170 HydrophobicContact CD1-CG2 4.29Å; L154-I170 HydrophobicContact CD2-CG2 4.39Å; I157-I170 HydrophobicContact CD1-CD1 3.78Å; I166-I170 HydrophobicContact CG2-CD1 3.84Å; I166-I170 HydrophobicContact CG2-CG1 4.43Å; I166-I170 WeakPolarHBondContact O-CG1 3.24Å; I166-I170 PolarHBondContact O-N 3.26Å; I170-L172 VanDerWaalsContact C-N 3.34Å; I170-L172 PolarHBondContact O-N 3.36Å; I170-T173 PolarHBondContact O-N 3.01Å; I170-L174 HydrophobicContact CG2-CD1 3.86Å; I170-L174 HydrophobicContact CG2-CG 4.36Å; I170-L174 WeakPolarHBondContact O-CB 3.48Å; I170-L174 WeakPolarHBondContact O-CG 3.26Å; I170-L174 PolarHBondContact O-N 3.5Å |
| 171 | S | 92.6 | Very high | 92 | Very high | 75 Ų | 75 | 67.5 Ų | 67.5 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | L167 L168 G175 | L167-S171 VanDerWaalsContact O-CB 3.31Å; L167-S171 WeakPolarHBondContact O-CB 3.41Å; L167-S171 PolarHBondContact O-N 3.38Å; L167-S171 PolarHBondContact O-OG 3.13Å; L168-S171 PolarHBondContact O-N 2.93Å; S171-G175 PolarHBondContact O-N 3.25Å |
| 172 | L | 94.6 | Very high | 92.5 | Very high | 114 Ų | 114 | 62.8 Ų | 62.8 | 60% | 0.597 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 175.2 | -178.7 | 67.2 | 0 | 0 | 0 | 111.1 | L168 I169 I170 G175 I176 | L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 PolarHBondContact O-N 3.46Å; I169-L172 PolarHBondContact O-N 2.88Å; I170-L172 VanDerWaalsContact C-N 3.34Å; I170-L172 PolarHBondContact O-N 3.36Å; L172-G175 PolarHBondContact O-N 2.8Å; L172-I176 HydrophobicContact CD1-CD1 4.3Å; L172-I176 HydrophobicContact CG-CD1 4.13Å; L172-I176 WeakPolarHBondContact O-CG1 3.1Å; L172-I176 PolarHBondContact O-N 3.02Å |
| 173 | T | 96.7 | Very high | 92.8 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 26% | 0.258 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | I146 T150 I169 I170 G175 I176 T177 | I146-T173 HydrophobicContact CG2-CG2 3.99Å; T150-T173 HydrophobicContact CG2-CG2 3.68Å; I169-T173 WeakPolarHBondContact O-CB 3.49Å; I169-T173 PolarHBondContact O-N 3.43Å; I169-T173 PolarHBondContact O-OG1 3.08Å; I170-T173 PolarHBondContact O-N 3.01Å; T173-G175 VanDerWaalsContact C-N 3.3Å; T173-G175 PolarHBondContact O-N 3.46Å; T173-I176 PolarHBondContact O-N 3.25Å; T173-T177 HydrophobicContact CG2-CG2 4.4Å; T173-T177 WeakPolarHBondContact O-CG2 3.47Å; T173-T177 PolarHBondContact O-N 2.82Å; T173-T177 PolarHBondContact O-OG1 3.22Å |
| 174 | L | 95.1 | Very high | 93 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 173.8 | -74.9 | 172.9 | 0 | 0 | 0 | 111.9 | T150 L151 L154 I170 I176 T177 V178 | T150-L174 WeakPolarHBondContact OG1-CD2 3.17Å; L151-L174 HydrophobicContact CD2-CD1 4.2Å; L151-L174 HydrophobicContact CD2-CD2 4.01Å; L151-L174 HydrophobicContact CG-CD2 3.92Å; L154-L174 HydrophobicContact CD2-CD1 4.45Å; I170-L174 HydrophobicContact CG2-CD1 3.86Å; I170-L174 HydrophobicContact CG2-CG 4.36Å; I170-L174 WeakPolarHBondContact O-CB 3.48Å; I170-L174 WeakPolarHBondContact O-CG 3.26Å; I170-L174 PolarHBondContact O-N 3.5Å; L174-I176 PolarHBondContact O-N 3.42Å; L174-T177 WeakPolarHBondContact CA-OG1 3.29Å; L174-T177 PolarHBondContact O-N 3.46Å; L174-T177 PolarHBondContact O-OG1 3.02Å; L174-V178 HydrophobicContact CD2-CG2 4.44Å; L174-V178 WeakPolarHBondContact O-CB 3.48Å; L174-V178 VanDerWaalsContact O-CG2 3.28Å; L174-V178 WeakPolarHBondContact O-CG2 3.48Å; L174-V178 PolarHBondContact O-N 3.44Å |
| 175 | G | 92.2 | Very high | 93.1 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58 | -48.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S171 L172 T173 I179 | S171-G175 PolarHBondContact O-N 3.25Å; L172-G175 PolarHBondContact O-N 2.8Å; T173-G175 VanDerWaalsContact C-N 3.3Å; T173-G175 PolarHBondContact O-N 3.46Å; G175-I179 WeakPolarHBondContact O-CB 3.32Å; G175-I179 WeakPolarHBondContact O-CD1 3.44Å; G175-I179 WeakPolarHBondContact O-CG1 3.45Å; G175-I179 PolarHBondContact O-N 3.3Å |
| 176 | I | 92.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 52.4 Ų | 52.4 | 55% | 0.549 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 179.8 | -66.6 | 167.1 | 0 | 0 | 0 | 111 | L172 T173 L174 G180 | L172-I176 HydrophobicContact CD1-CD1 4.3Å; L172-I176 HydrophobicContact CG-CD1 4.13Å; L172-I176 WeakPolarHBondContact O-CG1 3.1Å; L172-I176 PolarHBondContact O-N 3.02Å; T173-I176 PolarHBondContact O-N 3.25Å; L174-I176 PolarHBondContact O-N 3.42Å; I176-G180 VanDerWaalsContact O-CA 3.3Å; I176-G180 WeakPolarHBondContact O-CA 3.43Å; I176-G180 PolarHBondContact O-N 3.46Å |
| 177 | T | 95.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.2 | -47.4 | -173.6 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | Q143 I146 T173 L174 A181 | Q143-T177 WeakPolarHBondContact O-CB 3.37Å; I146-T177 HydrophobicContact CB-CG2 3.92Å; I146-T177 HydrophobicContact CG2-CG2 3.67Å; T173-T177 HydrophobicContact CG2-CG2 4.4Å; T173-T177 WeakPolarHBondContact O-CG2 3.47Å; T173-T177 PolarHBondContact O-N 2.82Å; T173-T177 PolarHBondContact O-OG1 3.22Å; L174-T177 WeakPolarHBondContact CA-OG1 3.29Å; L174-T177 PolarHBondContact O-N 3.46Å; L174-T177 PolarHBondContact O-OG1 3.02Å; T177-A181 WeakPolarHBondContact O-CB 3.27Å; T177-A181 PolarHBondContact O-N 3.29Å |
| 178 | V | 92.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 46 Ų | 46 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.3 | -48.4 | -177.1 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | A147 L174 G180 A181 I182 | A147-V178 HydrophobicContact CB-CG2 4.12Å; L174-V178 HydrophobicContact CD2-CG2 4.44Å; L174-V178 WeakPolarHBondContact O-CB 3.48Å; L174-V178 VanDerWaalsContact O-CG2 3.28Å; L174-V178 WeakPolarHBondContact O-CG2 3.48Å; L174-V178 PolarHBondContact O-N 3.44Å; V178-G180 VanDerWaalsContact C-N 3.34Å; V178-A181 PolarHBondContact O-N 3.31Å; V178-I182 HydrophobicContact CG1-CD1 3.94Å; V178-I182 VanDerWaalsContact O-CG1 3.26Å; V178-I182 WeakPolarHBondContact O-CG1 3.23Å; V178-I182 PolarHBondContact O-N 3.31Å |
| 179 | I | 89.7 | Confident | 93.2 | Very high | 85 Ų | 85 | 41.9 Ų | 41.9 | 44% | 0.436 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.1 | -39.1 | 179.5 | -57.6 | 174.2 | 0 | 0 | 0 | 110.1 | G175 A181 A183 | G175-I179 WeakPolarHBondContact O-CB 3.32Å; G175-I179 WeakPolarHBondContact O-CD1 3.44Å; G175-I179 WeakPolarHBondContact O-CG1 3.45Å; G175-I179 PolarHBondContact O-N 3.3Å; I179-A181 VanDerWaalsContact C-N 3.34Å; I179-A181 PolarHBondContact O-N 3.04Å; I179-A183 WeakPolarHBondContact O-CB 3.16Å; I179-A183 PolarHBondContact O-N 3.02Å |
| 180 | G | 90.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I176 V178 A183 L184 | I176-G180 VanDerWaalsContact O-CA 3.3Å; I176-G180 WeakPolarHBondContact O-CA 3.43Å; I176-G180 PolarHBondContact O-N 3.46Å; V178-G180 VanDerWaalsContact C-N 3.34Å; G180-A183 WeakPolarHBondContact O-CB 3.36Å; G180-A183 PolarHBondContact O-N 2.93Å; G180-L184 WeakPolarHBondContact O-CG 3.48Å; G180-L184 PolarHBondContact O-N 3.18Å |
| 181 | A | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.2 | -41.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q143 M144 T177 V178 I179 A183 L184 C185 | Q143-A181 HydrophobicContact CB-CB 4.16Å; Q143-A181 VanDerWaalsContact OE1-CA 3.29Å; M144-A181 HydrophobicContact CE-CB 3.33Å; M144-A181 HydrophobicContact CG-CB 4.29Å; M144-A181 HydrophobicContact SD-CB 3.67Å; T177-A181 WeakPolarHBondContact O-CB 3.27Å; T177-A181 PolarHBondContact O-N 3.29Å; V178-A181 PolarHBondContact O-N 3.31Å; I179-A181 VanDerWaalsContact C-N 3.34Å; I179-A181 PolarHBondContact O-N 3.04Å; A181-A183 VanDerWaalsContact C-N 3.26Å; A181-A183 PolarHBondContact O-N 3.29Å; A181-L184 PolarHBondContact O-N 3.5Å; A181-C185 WeakPolarHBondContact O-CB 3.34Å; A181-C185 PolarHBondContact O-N 3.01Å; A181-C185 PolarHBondContact O-SG 3.5Å |
| 182 | I | 91.8 | Very high | 93 | Very high | 76 Ų | 76 | 38.1 Ų | 38.1 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.1 | -42.9 | 172.5 | -67.8 | 166.1 | 0 | 0 | 0 | 110.7 | V178 G186 | V178-I182 HydrophobicContact CG1-CD1 3.94Å; V178-I182 VanDerWaalsContact O-CG1 3.26Å; V178-I182 WeakPolarHBondContact O-CG1 3.23Å; V178-I182 PolarHBondContact O-N 3.31Å; I182-G186 PolarHBondContact O-N 3.16Å; I182-G186 VanDerWaalsContact O-N 3.15Å |
| 183 | A | 90.3 | Very high | 93 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W118 I179 G180 A181 G186 V187 | W118-A183 HydrophobicContact CH2-CB 3.73Å; W118-A183 VanDerWaalsContact CZ2-CA 3.44Å; W118-A183 HydrophobicContact CZ2-CB 3.87Å; W118-A183 WeakPolarHBondContact CZ2-O 3.35Å; I179-A183 WeakPolarHBondContact O-CB 3.16Å; I179-A183 PolarHBondContact O-N 3.02Å; G180-A183 WeakPolarHBondContact O-CB 3.36Å; G180-A183 PolarHBondContact O-N 2.93Å; A181-A183 VanDerWaalsContact C-N 3.26Å; A181-A183 PolarHBondContact O-N 3.29Å; A183-G186 PolarHBondContact O-N 3Å; A183-V187 PolarHBondContact O-N 3.18Å |
| 184 | L | 92.5 | Very high | 92.8 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.9 | -38.5 | 178.9 | -70.8 | 177.5 | 0 | 0 | 0 | 112.6 | L139 I140 G180 A181 G186 V187 L188 | L139-L184 HydrophobicContact CB-CD1 3.93Å; I140-L184 HydrophobicContact CD1-CB 3.82Å; I140-L184 HydrophobicContact CG1-CB 3.41Å; I140-L184 VanDerWaalsContact CG1-CB 3.41Å; I140-L184 HydrophobicContact CG1-CD1 4.11Å; I140-L184 HydrophobicContact CG1-CG 4.43Å; G180-L184 WeakPolarHBondContact O-CG 3.48Å; G180-L184 PolarHBondContact O-N 3.18Å; A181-L184 PolarHBondContact O-N 3.5Å; L184-G186 VanDerWaalsContact C-N 3.32Å; L184-G186 PolarHBondContact O-N 3.27Å; L184-V187 PolarHBondContact O-N 3.37Å; L184-L188 WeakPolarHBondContact O-CB 2.95Å; L184-L188 PolarHBondContact O-N 3.44Å |
| 185 | C | 93.4 | Very high | 92.5 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 173.9 | -73.6 | 0 | 0 | 0 | 0 | 111.8 | A181 V187 L188 A189 | A181-C185 WeakPolarHBondContact O-CB 3.34Å; A181-C185 PolarHBondContact O-N 3.01Å; A181-C185 PolarHBondContact O-SG 3.5Å; C185-V187 VanDerWaalsContact C-N 3.3Å; C185-V187 PolarHBondContact O-N 3.4Å; C185-L188 PolarHBondContact O-N 3.12Å; C185-A189 WeakPolarHBondContact O-CB 3.35Å; C185-A189 PolarHBondContact O-N 3.05Å |
| 186 | G | 93.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I182 A183 L184 V190 H202 | I182-G186 PolarHBondContact O-N 3.16Å; I182-G186 VanDerWaalsContact O-N 3.15Å; A183-G186 PolarHBondContact O-N 3Å; L184-G186 VanDerWaalsContact C-N 3.32Å; L184-G186 PolarHBondContact O-N 3.27Å; G186-V190 WeakPolarHBondContact O-CG2 3.4Å; G186-H202 PolarHBondContact O-ND1 3.09Å |
| 187 | V | 93.2 | Very high | 92.6 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.5 | -40.2 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | W118 L125 A183 L184 C185 A189 V190 E191 | W118-V187 HydrophobicContact CH2-CG2 4.05Å; W118-V187 HydrophobicContact CZ2-CG2 4.25Å; L125-V187 HydrophobicContact CD2-CG1 3.84Å; L125-V187 HydrophobicContact CD2-CG2 3.98Å; L125-V187 HydrophobicContact CG-CG1 4.44Å; A183-V187 PolarHBondContact O-N 3.18Å; L184-V187 PolarHBondContact O-N 3.37Å; C185-V187 VanDerWaalsContact C-N 3.3Å; C185-V187 PolarHBondContact O-N 3.4Å; V187-A189 VanDerWaalsContact C-N 3.3Å; V187-A189 PolarHBondContact O-N 3.15Å; V187-V190 WeakPolarHBondContact O-CB 3.1Å; V187-V190 PolarHBondContact O-N 2.72Å; V187-V190 VanDerWaalsContact O-N 3.14Å; V187-E191 HydrophobicContact CG1-CG 4.37Å; V187-E191 PolarHBondContact O-N 2.77Å |
| 188 | L | 93.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 177.7 | -179 | 64.4 | 0 | 0 | 0 | 111.3 | P133 I137 I140 L184 C185 V190 E191 L192 L247 | P133-L188 HydrophobicContact CB-CD1 3.97Å; I137-L188 HydrophobicContact CD1-CD1 4.23Å; I137-L188 HydrophobicContact CG1-CD1 3.83Å; I137-L188 HydrophobicContact CG1-CD2 3.66Å; I137-L188 HydrophobicContact CG1-CG 4.42Å; I140-L188 HydrophobicContact CD1-CB 4.18Å; I140-L188 HydrophobicContact CD1-CD2 3.7Å; L184-L188 WeakPolarHBondContact O-CB 2.95Å; L184-L188 PolarHBondContact O-N 3.44Å; C185-L188 PolarHBondContact O-N 3.12Å; L188-V190 VanDerWaalsContact C-N 3.3Å; L188-V190 PolarHBondContact O-N 3.49Å; L188-E191 PolarHBondContact O-N 3.01Å; L188-L192 HydrophobicContact CD1-CD1 4.03Å; L188-L192 HydrophobicContact CD1-CD2 4.34Å; L188-L192 HydrophobicContact CD1-CG 3.95Å; L188-L192 HydrophobicContact CD2-CD1 4.35Å; L188-L192 HydrophobicContact CG-CD1 3.84Å; L188-L192 HydrophobicContact CG-CG 4.16Å; L188-L192 WeakPolarHBondContact O-CG 3.22Å; L188-L192 PolarHBondContact O-N 2.68Å; L188-L247 HydrophobicContact CD2-CD2 3.87Å |
| 189 | A | 94.7 | Very high | 92.6 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C185 V187 E191 A193 | C185-A189 WeakPolarHBondContact O-CB 3.35Å; C185-A189 PolarHBondContact O-N 3.05Å; V187-A189 VanDerWaalsContact C-N 3.3Å; V187-A189 PolarHBondContact O-N 3.15Å; A189-E191 VanDerWaalsContact C-N 3.34Å; A189-A193 WeakPolarHBondContact O-CB 3.4Å; A189-A193 PolarHBondContact O-N 2.78Å |
| 190 | V | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | S122 K123 R126 G186 V187 L188 S198 H202 | S122-V190 WeakPolarHBondContact OG-CG2 3.23Å; K123-V190 HydrophobicContact CB-CG1 4.49Å; R126-V190 HydrophobicContact CB-CG1 3.76Å; R126-V190 VanDerWaalsContact CD-O 3.3Å; R126-V190 WeakPolarHBondContact CD-O 3.3Å; R126-V190 HydrophobicContact CG-CG1 4.25Å; R126-V190 PolarHBondContact NH1-O 3.3Å; G186-V190 WeakPolarHBondContact O-CG2 3.4Å; V187-V190 WeakPolarHBondContact O-CB 3.1Å; V187-V190 PolarHBondContact O-N 2.72Å; V187-V190 VanDerWaalsContact O-N 3.14Å; L188-V190 VanDerWaalsContact C-N 3.3Å; L188-V190 PolarHBondContact O-N 3.49Å; V190-S198 WeakPolarHBondContact CG2-O 3.4Å; V190-H202 HydrophobicContact CG2-CB 3.6Å |
| 191 | E | 92.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70 | -34.8 | -179.1 | -73.8 | -175.3 | 172.8 | 0 | 0 | 113.9 | R126 S131 P133 R136 V187 L188 A189 | R126-E191 PolarHBondContact NH1-O 2.9Å; S131-E191 WeakPolarHBondContact CA-OE1 3.25Å; P133-E191 WeakPolarHBondContact CA-OE2 3.45Å; R136-E191 VanDerWaalsContact CD-OE2 3.27Å; R136-E191 WeakPolarHBondContact CD-OE2 3.49Å; R136-E191 IonicContact CZ-OE1 3.15Å; R136-E191 IonicContact NE-OE1 2.78Å; R136-E191 PolarHBondContact NE-OE1 3.38Å; R136-E191 IonicContact NE-OE2 3.01Å; R136-E191 PolarHBondContact NE-OE2 3.44Å; R136-E191 IonicContact NH2-OE1 2.77Å; R136-E191 PolarHBondContact NH2-OE1 2.93Å; V187-E191 HydrophobicContact CG1-CG 4.37Å; V187-E191 PolarHBondContact O-N 2.77Å; L188-E191 PolarHBondContact O-N 3.01Å; A189-E191 VanDerWaalsContact C-N 3.34Å |
| 192 | L | 91.9 | Very high | 93.2 | Very high | 94 Ų | 94 | 35.7 Ų | 35.7 | 49% | 0.492 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -81.2 | -26.8 | 179 | -65.9 | 177.3 | 0 | 0 | 0 | 113.1 | P133 L188 | P133-L192 HydrophobicContact CB-CD2 4.32Å; L188-L192 HydrophobicContact CD1-CD1 4.03Å; L188-L192 HydrophobicContact CD1-CD2 4.34Å; L188-L192 HydrophobicContact CD1-CG 3.95Å; L188-L192 HydrophobicContact CD2-CD1 4.35Å; L188-L192 HydrophobicContact CG-CD1 3.84Å; L188-L192 HydrophobicContact CG-CG 4.16Å; L188-L192 WeakPolarHBondContact O-CG 3.22Å; L188-L192 PolarHBondContact O-N 2.68Å |
| 193 | A | 93.4 | Very high | 93.3 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -74.4 | 154 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R126 A189 A201 | R126-A193 PolarHBondContact NH1-O 3.24Å; R126-A193 PolarHBondContact NH2-O 3.44Å; A189-A193 WeakPolarHBondContact O-CB 3.4Å; A189-A193 PolarHBondContact O-N 2.78Å; A193-A201 HydrophobicContact CB-CB 3.4Å; A193-A201 VanDerWaalsContact CB-CB 3.4Å |
| 194 | P | 92.7 | Very high | 93.5 | Very high | 82 Ų | 82 | 35.9 Ų | 35.9 | 53% | 0.532 | 22% | 0.215 | S | C | . | . | trans | -53.9 | 143.6 | 166 | -23.4 | 33.4 | 0 | 0 | 0 | 110.8 | A196 F197 S198 | P194-A196 PolarHBondContact O-N 3.25Å; P194-A196 VanDerWaalsContact O-N 3.07Å; P194-F197 HydrophobicContact CB-CD2 4.37Å; P194-F197 PolarHBondContact O-N 2.89Å; P194-S198 PolarHBondContact O-N 2.67Å | ||
| 195 | P | 89.8 | Confident | 93.5 | Very high | 90 Ų | 90 | 35.6 Ų | 35.6 | 58% | 0.584 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -52.1 | -37.6 | -176.7 | -25.9 | 31.8 | 0 | 0 | 0 | 114.2 | F197 S198 | P195-F197 VanDerWaalsContact C-N 3.3Å; P195-F197 PolarHBondContact O-N 2.83Å; P195-S198 PolarHBondContact O-OG 3.05Å |
| 196 | A | 92.3 | Very high | 93.5 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 51% | 0.512 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -67.4 | -22.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D72 P194 | D72-A196 WeakPolarHBondContact CB-O 3.45Å; P194-A196 PolarHBondContact O-N 3.25Å; P194-A196 VanDerWaalsContact O-N 3.07Å |
| 197 | F | 94 | Very high | 93.4 | Very high | 129 Ų | 129 | 38.1 Ų | 38.1 | 57% | 0.566 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -121.8 | 17.1 | -177 | -60.1 | -66.9 | 0 | 0 | 0 | 112.7 | D72 P194 P195 G199 T200 A201 | D72-F197 WeakPolarHBondContact OD2-CA 3.26Å; P194-F197 HydrophobicContact CB-CD2 4.37Å; P194-F197 PolarHBondContact O-N 2.89Å; P195-F197 VanDerWaalsContact C-N 3.3Å; P195-F197 PolarHBondContact O-N 2.83Å; F197-G199 PolarHBondContact O-N 3.22Å; F197-T200 PolarHBondContact O-N 3.37Å; F197-A201 WeakPolarHBondContact O-CB 3.29Å; F197-A201 PolarHBondContact O-N 2.83Å |
| 198 | S | 93.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.2 | -36.2 | -172.1 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | D72 K123 V190 P194 P195 H202 | D72-S198 PolarHBondContact OD1-N 3.29Å; K123-S198 VanDerWaalsContact CE-OG 3.25Å; K123-S198 WeakPolarHBondContact CE-OG 3.41Å; K123-S198 PolarHBondContact NZ-OG 2.92Å; V190-S198 WeakPolarHBondContact CG2-O 3.4Å; P194-S198 PolarHBondContact O-N 2.67Å; P195-S198 PolarHBondContact O-OG 3.05Å; S198-H202 PolarHBondContact O-N 2.79Å |
| 199 | G | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69 | -42.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G68 D72 F197 A201 H202 A203 | G68-G199 CarbonylContact C-O 3.29Å; G68-G199 CarbonylContact O-C 2.97Å; G68-G199 WeakPolarHBondContact O-CA 3.21Å; D72-G199 WeakPolarHBondContact OD1-CA 3.27Å; D72-G199 PolarHBondContact OD1-N 2.89Å; F197-G199 PolarHBondContact O-N 3.22Å; G199-A201 PolarHBondContact O-N 3.09Å; G199-H202 WeakPolarHBondContact O-CB 3.34Å; G199-H202 PolarHBondContact O-N 2.87Å; G199-A203 PolarHBondContact O-N 3.03Å |
| 200 | T | 95.4 | Very high | 93 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 175 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | G68 I69 D72 F197 H202 A203 L204 | G68-T200 PolarHBondContact O-N 3.49Å; I69-T200 HydrophobicContact CG1-CG2 4.41Å; D72-T200 WeakPolarHBondContact OD2-CB 3.35Å; D72-T200 PolarHBondContact OD2-N 3.13Å; D72-T200 PolarHBondContact OD2-OG1 2.88Å; F197-T200 PolarHBondContact O-N 3.37Å; T200-H202 VanDerWaalsContact C-N 3.3Å; T200-H202 PolarHBondContact O-N 3.09Å; T200-A203 WeakPolarHBondContact O-CA 3.46Å; T200-A203 VanDerWaalsContact O-CB 3.28Å; T200-A203 WeakPolarHBondContact O-CB 3.27Å; T200-A203 PolarHBondContact O-N 2.98Å; T200-L204 HydrophobicContact CG2-CD1 4.42Å; T200-L204 WeakPolarHBondContact O-CG 3.39Å; T200-L204 PolarHBondContact O-N 3.25Å |
| 201 | A | 95.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A193 F197 G199 L204 S205 | A193-A201 HydrophobicContact CB-CB 3.4Å; A193-A201 VanDerWaalsContact CB-CB 3.4Å; F197-A201 WeakPolarHBondContact O-CB 3.29Å; F197-A201 PolarHBondContact O-N 2.83Å; G199-A201 PolarHBondContact O-N 3.09Å; A201-L204 PolarHBondContact O-N 3.23Å; A201-S205 WeakPolarHBondContact O-CB 3.44Å; A201-S205 PolarHBondContact O-N 3.33Å |
| 202 | H | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 171.8 | -174.2 | 92.9 | 0 | 0 | 0 | 112.5 | W118 S122 G186 V190 S198 G199 T200 L204 S205 A206 | W118-H202 AromaticContact CD1-CE1 3.18Å; W118-H202 AromaticContact CD1-NE2 2.89Å; W118-H202 AromaticContact CE2-CE1 3.58Å; W118-H202 AromaticContact CG-CE1 3.83Å; W118-H202 AromaticContact CG-NE2 3.58Å; W118-H202 AromaticContact NE1-CE1 3.04Å; W118-H202 PolarHBondContact NE1-CE1 2.92Å; W118-H202 AromaticContact NE1-NE2 3.3Å; W118-H202 PolarHBondContact NE1-NE2 3.32Å; S122-H202 PolarHBondContact OG-CE1 3.18Å; S122-H202 VanDerWaalsContact OG-CE1 3.31Å; S122-H202 PolarHBondContact OG-ND1 3.46Å; G186-H202 PolarHBondContact O-ND1 3.09Å; V190-H202 HydrophobicContact CG2-CB 3.6Å; S198-H202 PolarHBondContact O-N 2.79Å; G199-H202 WeakPolarHBondContact O-CB 3.34Å; G199-H202 PolarHBondContact O-N 2.87Å; T200-H202 VanDerWaalsContact C-N 3.3Å; T200-H202 PolarHBondContact O-N 3.09Å; H202-L204 VanDerWaalsContact C-N 3.31Å; H202-L204 PolarHBondContact O-N 3.4Å; H202-S205 PolarHBondContact O-N 2.66Å; H202-A206 VanDerWaalsContact O-CB 3.27Å; H202-A206 WeakPolarHBondContact O-CB 3.5Å; H202-A206 PolarHBondContact O-N 3.04Å |
| 203 | A | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L65 G199 T200 A206 L207 | L65-A203 HydrophobicContact CD1-CB 4.03Å; G199-A203 PolarHBondContact O-N 3.03Å; T200-A203 WeakPolarHBondContact O-CA 3.46Å; T200-A203 VanDerWaalsContact O-CB 3.28Å; T200-A203 WeakPolarHBondContact O-CB 3.27Å; T200-A203 PolarHBondContact O-N 2.98Å; A203-A206 WeakPolarHBondContact O-CB 3.4Å; A203-A206 PolarHBondContact O-N 3.44Å; A203-L207 PolarHBondContact O-N 2.86Å |
| 204 | L | 94.2 | Very high | 92.5 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 176.5 | -68.1 | 176.1 | 0 | 0 | 0 | 112.1 | T200 A201 H202 A206 L207 T208 | T200-L204 HydrophobicContact CG2-CD1 4.42Å; T200-L204 WeakPolarHBondContact O-CG 3.39Å; T200-L204 PolarHBondContact O-N 3.25Å; A201-L204 PolarHBondContact O-N 3.23Å; H202-L204 VanDerWaalsContact C-N 3.31Å; H202-L204 PolarHBondContact O-N 3.4Å; L204-A206 VanDerWaalsContact C-N 3.25Å; L204-A206 PolarHBondContact O-N 3.43Å; L204-L207 WeakPolarHBondContact O-CB 3.46Å; L204-L207 PolarHBondContact O-N 2.93Å; L204-L207 VanDerWaalsContact O-N 3.15Å; L204-T208 PolarHBondContact O-N 3.43Å; L204-T208 PolarHBondContact O-OG1 3.39Å |
| 205 | S | 93.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 173.7 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | A201 H202 T208 A209 | A201-S205 WeakPolarHBondContact O-CB 3.44Å; A201-S205 PolarHBondContact O-N 3.33Å; H202-S205 PolarHBondContact O-N 2.66Å; S205-T208 PolarHBondContact O-OG1 3.13Å; S205-A209 PolarHBondContact O-N 3.31Å; S205-A209 VanDerWaalsContact O-N 3.12Å |
| 206 | A | 92.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K64 H202 A203 L204 A209 N210 | K64-A206 HydrophobicContact CD-CB 3.73Å; K64-A206 HydrophobicContact CG-CB 4.07Å; K64-A206 VanDerWaalsContact NZ-CB 3.31Å; H202-A206 VanDerWaalsContact O-CB 3.27Å; H202-A206 WeakPolarHBondContact O-CB 3.5Å; H202-A206 PolarHBondContact O-N 3.04Å; A203-A206 WeakPolarHBondContact O-CB 3.4Å; A203-A206 PolarHBondContact O-N 3.44Å; L204-A206 VanDerWaalsContact C-N 3.25Å; L204-A206 PolarHBondContact O-N 3.43Å; A206-A209 PolarHBondContact O-N 3.11Å; A206-N210 VanDerWaalsContact O-CG 3.32Å; A206-N210 PolarHBondContact O-N 2.94Å; A206-N210 PolarHBondContact O-ND2 3.15Å |
| 207 | L | 90.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 44% | 0.44 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.2 | -168.7 | 88.2 | 0 | 0 | 0 | 110.7 | A203 L204 A209 N210 F211 | A203-L207 PolarHBondContact O-N 2.86Å; L204-L207 WeakPolarHBondContact O-CB 3.46Å; L204-L207 PolarHBondContact O-N 2.93Å; L204-L207 VanDerWaalsContact O-N 3.15Å; L207-A209 VanDerWaalsContact C-N 3.33Å; L207-A209 PolarHBondContact O-N 3.22Å; L207-N210 WeakPolarHBondContact O-CB 3.4Å; L207-N210 PolarHBondContact O-N 2.94Å; L207-F211 PolarHBondContact O-N 3.43Å |
| 208 | T | 92 | Very high | 92.4 | Very high | 95 Ų | 95 | 54.8 Ų | 54.8 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 177.5 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | L204 S205 N210 F211 G212 | L204-T208 PolarHBondContact O-N 3.43Å; L204-T208 PolarHBondContact O-OG1 3.39Å; S205-T208 PolarHBondContact O-OG1 3.13Å; T208-N210 PolarHBondContact O-N 3.14Å; T208-F211 WeakPolarHBondContact O-CB 3.29Å; T208-F211 PolarHBondContact O-N 2.74Å; T208-G212 PolarHBondContact O-N 2.72Å |
| 209 | A | 91.4 | Very high | 92.5 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S205 A206 L207 F211 G212 A213 | S205-A209 PolarHBondContact O-N 3.31Å; S205-A209 VanDerWaalsContact O-N 3.12Å; A206-A209 PolarHBondContact O-N 3.11Å; L207-A209 VanDerWaalsContact C-N 3.33Å; L207-A209 PolarHBondContact O-N 3.22Å; A209-F211 VanDerWaalsContact C-N 3.35Å; A209-G212 PolarHBondContact O-N 2.92Å; A209-A213 PolarHBondContact O-N 3.03Å |
| 210 | N | 89.1 | Confident | 92.6 | Very high | 38 Ų | 38 | 59.7 Ų | 59.7 | 20% | 0.203 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 175.3 | -73.1 | -20.8 | 0 | 0 | 0 | 111.8 | A206 L207 T208 G212 A213 I214 | A206-N210 VanDerWaalsContact O-CG 3.32Å; A206-N210 PolarHBondContact O-N 2.94Å; A206-N210 PolarHBondContact O-ND2 3.15Å; L207-N210 WeakPolarHBondContact O-CB 3.4Å; L207-N210 PolarHBondContact O-N 2.94Å; T208-N210 PolarHBondContact O-N 3.14Å; N210-G212 VanDerWaalsContact C-N 3.33Å; N210-G212 PolarHBondContact O-N 3.31Å; N210-A213 WeakPolarHBondContact O-CB 3.34Å; N210-A213 PolarHBondContact O-N 3.06Å; N210-A213 VanDerWaalsContact O-N 3.15Å; N210-I214 WeakPolarHBondContact O-CG1 3.38Å; N210-I214 PolarHBondContact O-N 3.32Å |
| 211 | F | 90.7 | Very high | 92.6 | Very high | 128 Ų | 128 | 60.1 Ų | 60.1 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 173.3 | -173.1 | -102.8 | 0 | 0 | 0 | 111.5 | L207 T208 A209 A213 I214 L215 | L207-F211 PolarHBondContact O-N 3.43Å; T208-F211 WeakPolarHBondContact O-CB 3.29Å; T208-F211 PolarHBondContact O-N 2.74Å; A209-F211 VanDerWaalsContact C-N 3.35Å; F211-A213 VanDerWaalsContact C-N 3.31Å; F211-A213 PolarHBondContact O-N 3.01Å; F211-I214 WeakPolarHBondContact O-CB 3.48Å; F211-I214 PolarHBondContact O-N 3.45Å; F211-I214 VanDerWaalsContact O-N 3.16Å; F211-L215 HydrophobicContact CD1-CD1 3.99Å; F211-L215 HydrophobicContact CD1-CG 4.41Å; F211-L215 HydrophobicContact CE1-CD1 3.61Å; F211-L215 HydrophobicContact CE1-CG 4.12Å; F211-L215 HydrophobicContact CZ-CD1 4.33Å; F211-L215 HydrophobicContact CZ-CD2 4.48Å; F211-L215 HydrophobicContact CZ-CG 4.47Å; F211-L215 PolarHBondContact O-N 3.34Å |
| 212 | G | 91.5 | Very high | 92.6 | Very high | 36 Ų | 36 | 61.6 Ų | 61.6 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T208 A209 N210 I214 L215 A216 | T208-G212 PolarHBondContact O-N 2.72Å; A209-G212 PolarHBondContact O-N 2.92Å; N210-G212 VanDerWaalsContact C-N 3.33Å; N210-G212 PolarHBondContact O-N 3.31Å; G212-I214 VanDerWaalsContact C-N 3.33Å; G212-I214 PolarHBondContact O-N 2.93Å; G212-L215 PolarHBondContact O-N 3.07Å; G212-A216 WeakPolarHBondContact O-CB 3.5Å; G212-A216 PolarHBondContact O-N 3.03Å |
| 213 | A | 89.4 | Confident | 92.7 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A209 N210 F211 A216 G217 | A209-A213 PolarHBondContact O-N 3.03Å; N210-A213 WeakPolarHBondContact O-CB 3.34Å; N210-A213 PolarHBondContact O-N 3.06Å; N210-A213 VanDerWaalsContact O-N 3.15Å; F211-A213 VanDerWaalsContact C-N 3.31Å; F211-A213 PolarHBondContact O-N 3.01Å; A213-A216 PolarHBondContact O-N 2.92Å; A213-G217 PolarHBondContact O-N 3.33Å |
| 214 | I | 89.7 | Confident | 92.7 | Very high | 115 Ų | 115 | 64.4 Ų | 64.4 | 59% | 0.59 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.4 | -45.6 | 173.9 | -67.1 | 165.7 | 0 | 0 | 0 | 110.2 | N210 F211 G212 A216 G217 | N210-I214 WeakPolarHBondContact O-CG1 3.38Å; N210-I214 PolarHBondContact O-N 3.32Å; F211-I214 WeakPolarHBondContact O-CB 3.48Å; F211-I214 PolarHBondContact O-N 3.45Å; F211-I214 VanDerWaalsContact O-N 3.16Å; G212-I214 VanDerWaalsContact C-N 3.33Å; G212-I214 PolarHBondContact O-N 2.93Å; I214-A216 VanDerWaalsContact C-N 3.26Å; I214-A216 PolarHBondContact O-N 3.15Å; I214-G217 PolarHBondContact O-N 3.35Å |
| 215 | L | 92 | Very high | 92.8 | Very high | 81 Ų | 81 | 67 Ų | 67 | 42% | 0.424 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -34.5 | 176.5 | -67.7 | 180 | 0 | 0 | 0 | 112.4 | F211 G212 G217 P219 F220 | F211-L215 HydrophobicContact CD1-CD1 3.99Å; F211-L215 HydrophobicContact CD1-CG 4.41Å; F211-L215 HydrophobicContact CE1-CD1 3.61Å; F211-L215 HydrophobicContact CE1-CG 4.12Å; F211-L215 HydrophobicContact CZ-CD1 4.33Å; F211-L215 HydrophobicContact CZ-CD2 4.48Å; F211-L215 HydrophobicContact CZ-CG 4.47Å; F211-L215 PolarHBondContact O-N 3.34Å; G212-L215 PolarHBondContact O-N 3.07Å; L215-G217 PolarHBondContact O-N 3.46Å; L215-P219 HydrophobicContact CD2-CG 4.21Å; L215-F220 WeakPolarHBondContact O-CB 3.39Å; L215-F220 PolarHBondContact O-N 2.84Å; L215-F220 VanDerWaalsContact O-N 3.08Å |
| 216 | A | 92.6 | Very high | 92.9 | Very high | 65 Ų | 65 | 73 Ų | 73 | 54% | 0.537 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -7.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G212 A213 I214 | G212-A216 WeakPolarHBondContact O-CB 3.5Å; G212-A216 PolarHBondContact O-N 3.03Å; A213-A216 PolarHBondContact O-N 2.92Å; I214-A216 VanDerWaalsContact C-N 3.26Å; I214-A216 PolarHBondContact O-N 3.15Å |
| 217 | G | 91.7 | Very high | 93 | Very high | 37 Ų | 37 | 76 Ų | 76 | 38% | 0.381 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -116.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A213 I214 L215 F220 A221 | A213-G217 PolarHBondContact O-N 3.33Å; I214-G217 PolarHBondContact O-N 3.35Å; L215-G217 PolarHBondContact O-N 3.46Å; G217-F220 PolarHBondContact O-N 2.95Å; G217-A221 PolarHBondContact O-N 3.33Å |
| 218 | Y | 92.1 | Very high | 93.2 | Very high | 172 Ų | 172 | 76.3 Ų | 76.3 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -56.5 | -45.8 | -174.7 | 178.6 | -103.1 | 0 | 0 | 0 | 114.3 | F220 A221 L222 | Y218-F220 VanDerWaalsContact C-N 3.32Å; Y218-F220 PolarHBondContact O-N 3.23Å; Y218-A221 PolarHBondContact O-N 3.03Å; Y218-L222 HydrophobicContact CD1-CD1 3.96Å; Y218-L222 HydrophobicContact CD1-CG 4.38Å; Y218-L222 HydrophobicContact CE1-CD1 3.31Å; Y218-L222 HydrophobicContact CE1-CG 3.94Å; Y218-L222 HydrophobicContact CE2-CD1 4.38Å; Y218-L222 HydrophobicContact CE2-CD2 4.22Å; Y218-L222 HydrophobicContact CE2-CG 4.15Å; Y218-L222 PolarHBondContact O-N 3.49Å |
| 219 | P | 96.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 78.3 Ų | 78.3 | 38% | 0.377 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 178.8 | -24.3 | 36.3 | 0 | 0 | 0 | 113.4 | L215 L222 L223 | L215-P219 HydrophobicContact CD2-CG 4.21Å; P219-L222 PolarHBondContact O-N 3.42Å; P219-L223 PolarHBondContact O-N 2.91Å |
| 220 | F | 94.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 77.4 Ų | 77.4 | 20% | 0.202 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70 | -35.6 | 176.2 | -172.1 | -107.1 | 0 | 0 | 0 | 112.6 | L215 G217 Y218 L223 A224 W229 A232 F233 A236 | L215-F220 WeakPolarHBondContact O-CB 3.39Å; L215-F220 PolarHBondContact O-N 2.84Å; L215-F220 VanDerWaalsContact O-N 3.08Å; G217-F220 PolarHBondContact O-N 2.95Å; Y218-F220 VanDerWaalsContact C-N 3.32Å; Y218-F220 PolarHBondContact O-N 3.23Å; F220-L223 HydrophobicContact CD2-CD2 4.3Å; F220-L223 HydrophobicContact CE2-CD2 4.43Å; F220-L223 WeakPolarHBondContact O-CB 3.47Å; F220-L223 PolarHBondContact O-N 2.82Å; F220-A224 PolarHBondContact O-N 3.45Å; F220-W229 HydrophobicContact CE1-CZ3 4.17Å; F220-A232 HydrophobicContact CE1-CB 4.46Å; F220-A232 HydrophobicContact CE2-CB 4.04Å; F220-A232 WeakPolarHBondContact CE2-O 3.43Å; F220-A232 HydrophobicContact CZ-CB 3.84Å; F220-F233 HydrophobicContact CE1-CE1 4.47Å; F220-F233 HydrophobicContact CZ-CD1 4.3Å; F220-A236 HydrophobicContact CE2-CB 3.91Å; F220-A236 HydrophobicContact CZ-CB 4.14Å |
| 221 | A | 94.9 | Very high | 93.8 | Very high | 46 Ų | 46 | 76.3 Ų | 76.3 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G217 Y218 L223 A224 E225 | G217-A221 PolarHBondContact O-N 3.33Å; Y218-A221 PolarHBondContact O-N 3.03Å; A221-L223 VanDerWaalsContact C-N 3.31Å; A221-L223 PolarHBondContact O-N 3.44Å; A221-A224 WeakPolarHBondContact O-CB 3.49Å; A221-A224 PolarHBondContact O-N 3.06Å; A221-A224 VanDerWaalsContact O-N 3.17Å; A221-E225 PolarHBondContact O-N 3Å |
| 222 | L | 96.5 | Very high | 94.1 | Very high | 54 Ų | 54 | 70.2 Ų | 70.2 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 173.4 | -73.7 | -179.4 | 0 | 0 | 0 | 112.2 | Y218 P219 A224 E225 H226 | Y218-L222 HydrophobicContact CD1-CD1 3.96Å; Y218-L222 HydrophobicContact CD1-CG 4.38Å; Y218-L222 HydrophobicContact CE1-CD1 3.31Å; Y218-L222 HydrophobicContact CE1-CG 3.94Å; Y218-L222 HydrophobicContact CE2-CD1 4.38Å; Y218-L222 HydrophobicContact CE2-CD2 4.22Å; Y218-L222 HydrophobicContact CE2-CG 4.15Å; Y218-L222 PolarHBondContact O-N 3.49Å; P219-L222 PolarHBondContact O-N 3.42Å; L222-A224 VanDerWaalsContact C-N 3.33Å; L222-A224 PolarHBondContact O-N 3.39Å; L222-E225 WeakPolarHBondContact O-CB 3.43Å; L222-E225 PolarHBondContact O-N 3.28Å; L222-H226 PolarHBondContact O-CD2 2.81Å; L222-H226 PolarHBondContact O-N 3.01Å; L222-H226 VanDerWaalsContact O-N 3.11Å |
| 223 | L | 95.5 | Very high | 94.3 | Very high | 57 Ų | 57 | 70.3 Ų | 70.3 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 173.8 | -178.2 | 67.1 | 0 | 0 | 0 | 110.6 | P219 F220 A221 E225 H226 I227 V235 | P219-L223 PolarHBondContact O-N 2.91Å; F220-L223 HydrophobicContact CD2-CD2 4.3Å; F220-L223 HydrophobicContact CE2-CD2 4.43Å; F220-L223 WeakPolarHBondContact O-CB 3.47Å; F220-L223 PolarHBondContact O-N 2.82Å; A221-L223 VanDerWaalsContact C-N 3.31Å; A221-L223 PolarHBondContact O-N 3.44Å; L223-E225 PolarHBondContact O-N 3.06Å; L223-H226 PolarHBondContact O-N 2.98Å; L223-I227 HydrophobicContact CD1-CD1 3.78Å; L223-I227 HydrophobicContact CD1-CG1 3.96Å; L223-I227 HydrophobicContact CD2-CD1 4.47Å; L223-I227 HydrophobicContact CG-CD1 3.94Å; L223-I227 HydrophobicContact CG-CG1 4.04Å; L223-I227 WeakPolarHBondContact O-CG1 3.48Å; L223-I227 PolarHBondContact O-N 3.37Å; L223-V235 HydrophobicContact CD2-CB 4.2Å; L223-V235 HydrophobicContact CD2-CG1 3.98Å |
| 224 | A | 96 | Very high | 94.7 | Very high | 6 Ų | 6 | 70.6 Ų | 70.6 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.3 | -28.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | F220 A221 L222 N228 W229 A232 | F220-A224 PolarHBondContact O-N 3.45Å; A221-A224 WeakPolarHBondContact O-CB 3.49Å; A221-A224 PolarHBondContact O-N 3.06Å; A221-A224 VanDerWaalsContact O-N 3.17Å; L222-A224 VanDerWaalsContact C-N 3.33Å; L222-A224 PolarHBondContact O-N 3.39Å; A224-N228 CarbonylContact O-C 3.48Å; A224-N228 VanDerWaalsContact O-C 3.29Å; A224-N228 WeakPolarHBondContact O-CA 3.37Å; A224-N228 PolarHBondContact O-N 3.14Å; A224-W229 HydrophobicContact CB-CD2 3.87Å; A224-W229 HydrophobicContact CB-CE3 3.81Å; A224-W229 HydrophobicContact CB-CG 4.43Å; A224-W229 HydrophobicContact CB-CH2 4.26Å; A224-W229 HydrophobicContact CB-CZ2 4.32Å; A224-W229 HydrophobicContact CB-CZ3 4.02Å; A224-A232 HydrophobicContact CB-CB 3.74Å |
| 225 | E | 96.1 | Very high | 95 | Very high | 152 Ų | 152 | 67.8 Ų | 67.8 | 71% | 0.71 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.7 | -39.7 | 173.9 | -169.8 | 173.2 | -179.3 | 0 | 0 | 112 | A221 L222 L223 | A221-E225 PolarHBondContact O-N 3Å; L222-E225 WeakPolarHBondContact O-CB 3.43Å; L222-E225 PolarHBondContact O-N 3.28Å; L223-E225 PolarHBondContact O-N 3.06Å |
| 226 | H | 96 | Very high | 95.2 | Very high | 155 Ų | 155 | 65.1 Ų | 65.1 | 72% | 0.718 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -78.5 | -38.2 | -179.7 | -71.9 | -60.2 | 0 | 0 | 0 | 114.4 | L222 L223 | L222-H226 PolarHBondContact O-CD2 2.81Å; L222-H226 PolarHBondContact O-N 3.01Å; L222-H226 VanDerWaalsContact O-N 3.11Å; L223-H226 PolarHBondContact O-N 2.98Å |
| 227 | I | 94.9 | Very high | 95.4 | Very high | 71 Ų | 71 | 62 Ų | 62 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -120.3 | 13.3 | -172.9 | 65.8 | 161.6 | 0 | 0 | 0 | 114.1 | L223 G231 V235 | L223-I227 HydrophobicContact CD1-CD1 3.78Å; L223-I227 HydrophobicContact CD1-CG1 3.96Å; L223-I227 HydrophobicContact CD2-CD1 4.47Å; L223-I227 HydrophobicContact CG-CD1 3.94Å; L223-I227 HydrophobicContact CG-CG1 4.04Å; L223-I227 WeakPolarHBondContact O-CG1 3.48Å; L223-I227 PolarHBondContact O-N 3.37Å; I227-G231 VanDerWaalsContact CD1-C 3.4Å; I227-V235 HydrophobicContact CD1-CG2 3.82Å |
| 228 | N | 94.5 | Very high | 95.6 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | 64.3 | 165.8 | -172.6 | 78.6 | 40.8 | 0 | 0 | 0 | 114.9 | A224 S230 G231 A232 | A224-N228 CarbonylContact O-C 3.48Å; A224-N228 VanDerWaalsContact O-C 3.29Å; A224-N228 WeakPolarHBondContact O-CA 3.37Å; A224-N228 PolarHBondContact O-N 3.14Å; N228-S230 VanDerWaalsContact C-N 3.35Å; N228-S230 PolarHBondContact O-N 3.23Å; N228-S230 WeakPolarHBondContact OD1-CA 3.38Å; N228-S230 VanDerWaalsContact OD1-CB 3.26Å; N228-S230 WeakPolarHBondContact OD1-CB 3.42Å; N228-S230 PolarHBondContact OD1-N 3.4Å; N228-G231 PolarHBondContact O-N 2.88Å; N228-G231 PolarHBondContact OD1-N 2.89Å; N228-A232 WeakPolarHBondContact O-CB 3.25Å; N228-A232 PolarHBondContact O-N 3.39Å |
| 229 | W | 93.9 | Very high | 95.8 | Very high | 137 Ų | 137 | 60.4 Ų | 60.4 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 179.7 | -75.5 | 106.5 | 0 | 0 | 0 | 113.3 | T158 F220 A224 A232 F233 | T158-W229 HydrophobicContact CG2-CB 3.87Å; F220-W229 HydrophobicContact CE1-CZ3 4.17Å; A224-W229 HydrophobicContact CB-CD2 3.87Å; A224-W229 HydrophobicContact CB-CE3 3.81Å; A224-W229 HydrophobicContact CB-CG 4.43Å; A224-W229 HydrophobicContact CB-CH2 4.26Å; A224-W229 HydrophobicContact CB-CZ2 4.32Å; A224-W229 HydrophobicContact CB-CZ3 4.02Å; W229-A232 PolarHBondContact O-N 2.83Å; W229-F233 HydrophobicContact CB-CD2 4.5Å; W229-F233 HydrophobicContact CB-CE2 4.14Å; W229-F233 HydrophobicContact CE3-CE1 4.36Å; W229-F233 HydrophobicContact CE3-CE2 4.17Å; W229-F233 AromaticContact CE3-CZ 3.82Å; W229-F233 HydrophobicContact CE3-CZ 3.82Å; W229-F233 HydrophobicContact CZ3-CZ 4.38Å; W229-F233 WeakPolarHBondContact O-CD2 3.41Å; W229-F233 WeakPolarHBondContact O-CG 3.34Å; W229-F233 PolarHBondContact O-N 3.06Å |
| 230 | S | 95.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 175.3 | 168 | 0 | 0 | 0 | 0 | 110.5 | S155 N159 N228 F233 L234 | S155-S230 VanDerWaalsContact CB-O 3.32Å; S155-S230 WeakPolarHBondContact CB-O 3.34Å; S155-S230 WeakPolarHBondContact O-CB 3.37Å; S155-S230 PolarHBondContact O-OG 3.27Å; S155-S230 VanDerWaalsContact O-OG 3.12Å; S155-S230 PolarHBondContact OG-O 2.95Å; S155-S230 PolarHBondContact OG-OG 3.39Å; N159-S230 VanDerWaalsContact ND2-CB 3.33Å; N159-S230 WeakPolarHBondContact ND2-CB 3.45Å; N159-S230 PolarHBondContact ND2-OG 3.27Å; N159-S230 WeakPolarHBondContact OD1-CB 3.49Å; N228-S230 VanDerWaalsContact C-N 3.35Å; N228-S230 PolarHBondContact O-N 3.23Å; N228-S230 WeakPolarHBondContact OD1-CA 3.38Å; N228-S230 VanDerWaalsContact OD1-CB 3.26Å; N228-S230 WeakPolarHBondContact OD1-CB 3.42Å; N228-S230 PolarHBondContact OD1-N 3.4Å; S230-F233 PolarHBondContact O-N 3.25Å; S230-L234 PolarHBondContact O-N 3.42Å; S230-L234 VanDerWaalsContact O-N 3.07Å |
| 231 | G | 95.7 | Very high | 95.8 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I227 N228 F233 L234 V235 | I227-G231 VanDerWaalsContact CD1-C 3.4Å; N228-G231 PolarHBondContact O-N 2.88Å; N228-G231 PolarHBondContact OD1-N 2.89Å; G231-F233 PolarHBondContact O-N 3.5Å; G231-L234 WeakPolarHBondContact O-CB 3.29Å; G231-L234 PolarHBondContact O-N 2.72Å; G231-V235 WeakPolarHBondContact O-CG2 3.47Å; G231-V235 PolarHBondContact O-N 3.43Å |
| 232 | A | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F220 A224 N228 W229 L234 V235 A236 | F220-A232 HydrophobicContact CE1-CB 4.46Å; F220-A232 HydrophobicContact CE2-CB 4.04Å; F220-A232 WeakPolarHBondContact CE2-O 3.43Å; F220-A232 HydrophobicContact CZ-CB 3.84Å; A224-A232 HydrophobicContact CB-CB 3.74Å; N228-A232 WeakPolarHBondContact O-CB 3.25Å; N228-A232 PolarHBondContact O-N 3.39Å; W229-A232 PolarHBondContact O-N 2.83Å; A232-L234 VanDerWaalsContact C-N 3.34Å; A232-L234 PolarHBondContact O-N 3.47Å; A232-V235 PolarHBondContact O-N 2.81Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3.3Å |
| 233 | F | 96.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 60 Ų | 60 | 17% | 0.167 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 175.7 | -67.2 | -46.6 | 0 | 0 | 0 | 112.8 | L151 L154 F220 W229 S230 G231 A236 G237 | L151-F233 HydrophobicContact CD2-CD1 4.41Å; L154-F233 HydrophobicContact CD2-CD1 3.93Å; L154-F233 HydrophobicContact CD2-CD2 4.05Å; L154-F233 HydrophobicContact CD2-CE1 3.83Å; L154-F233 HydrophobicContact CD2-CE2 3.94Å; L154-F233 HydrophobicContact CD2-CG 4.06Å; L154-F233 HydrophobicContact CD2-CZ 3.84Å; L154-F233 HydrophobicContact CG-CD2 3.86Å; L154-F233 HydrophobicContact CG-CE2 3.98Å; L154-F233 HydrophobicContact CG-CG 4.17Å; L154-F233 HydrophobicContact CG-CZ 4.4Å; F220-F233 HydrophobicContact CE1-CE1 4.47Å; F220-F233 HydrophobicContact CZ-CD1 4.3Å; W229-F233 HydrophobicContact CB-CD2 4.5Å; W229-F233 HydrophobicContact CB-CE2 4.14Å; W229-F233 HydrophobicContact CE3-CE1 4.36Å; W229-F233 HydrophobicContact CE3-CE2 4.17Å; W229-F233 AromaticContact CE3-CZ 3.82Å; W229-F233 HydrophobicContact CE3-CZ 3.82Å; W229-F233 HydrophobicContact CZ3-CZ 4.38Å; W229-F233 WeakPolarHBondContact O-CD2 3.41Å; W229-F233 WeakPolarHBondContact O-CG 3.34Å; W229-F233 PolarHBondContact O-N 3.06Å; S230-F233 PolarHBondContact O-N 3.25Å; G231-F233 PolarHBondContact O-N 3.5Å; F233-A236 PolarHBondContact O-N 3.27Å; F233-G237 PolarHBondContact O-N 3.23Å |
| 234 | L | 97.2 | Very high | 95.5 | Very high | 70 Ų | 70 | 58 Ų | 58 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 174 | -177.7 | 62.7 | 0 | 0 | 0 | 110.9 | M152 S230 G231 A232 A236 G237 I238 | M152-L234 HydrophobicContact CE-CD1 4.24Å; M152-L234 HydrophobicContact CG-CD1 4.32Å; S230-L234 PolarHBondContact O-N 3.42Å; S230-L234 VanDerWaalsContact O-N 3.07Å; G231-L234 WeakPolarHBondContact O-CB 3.29Å; G231-L234 PolarHBondContact O-N 2.72Å; A232-L234 VanDerWaalsContact C-N 3.34Å; A232-L234 PolarHBondContact O-N 3.47Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-A236 PolarHBondContact O-N 3.25Å; L234-G237 PolarHBondContact O-N 2.97Å; L234-G237 VanDerWaalsContact O-N 3.17Å; L234-I238 HydrophobicContact CD1-CD1 4.38Å; L234-I238 HydrophobicContact CG-CD1 4.09Å; L234-I238 WeakPolarHBondContact O-CG1 3.33Å; L234-I238 PolarHBondContact O-N 2.91Å |
| 235 | V | 96.4 | Very high | 95.4 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 35% | 0.345 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | L223 I227 G231 A232 G237 I238 V239 | L223-V235 HydrophobicContact CD2-CB 4.2Å; L223-V235 HydrophobicContact CD2-CG1 3.98Å; I227-V235 HydrophobicContact CD1-CG2 3.82Å; G231-V235 WeakPolarHBondContact O-CG2 3.47Å; G231-V235 PolarHBondContact O-N 3.43Å; A232-V235 PolarHBondContact O-N 2.81Å; V235-G237 VanDerWaalsContact C-N 3.31Å; V235-G237 PolarHBondContact O-N 3.46Å; V235-I238 PolarHBondContact O-N 3.42Å; V235-V239 HydrophobicContact CG1-CG2 4.29Å; V235-V239 VanDerWaalsContact O-CG2 3.31Å; V235-V239 WeakPolarHBondContact O-CG2 3.25Å; V235-V239 PolarHBondContact O-N 2.83Å |
| 236 | A | 95.9 | Very high | 95.1 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L151 F220 A232 F233 L234 C240 | L151-A236 HydrophobicContact CD1-CB 4.04Å; F220-A236 HydrophobicContact CE2-CB 3.91Å; F220-A236 HydrophobicContact CZ-CB 4.14Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3.3Å; F233-A236 PolarHBondContact O-N 3.27Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-A236 PolarHBondContact O-N 3.25Å; A236-C240 WeakPolarHBondContact O-CB 3.17Å; A236-C240 PolarHBondContact O-N 3.47Å |
| 237 | G | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S148 F233 L234 V235 C240 G241 | S148-G237 WeakPolarHBondContact CB-O 3.47Å; S148-G237 PolarHBondContact OG-O 2.63Å; F233-G237 PolarHBondContact O-N 3.23Å; L234-G237 PolarHBondContact O-N 2.97Å; L234-G237 VanDerWaalsContact O-N 3.17Å; V235-G237 VanDerWaalsContact C-N 3.31Å; V235-G237 PolarHBondContact O-N 3.46Å; G237-C240 PolarHBondContact O-N 3.46Å; G237-G241 PolarHBondContact O-N 3.36Å |
| 238 | I | 97.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.8 | -50.1 | 177.2 | -66.5 | 166 | 0 | 0 | 0 | 110.7 | L234 V235 C240 G241 L242 | L234-I238 HydrophobicContact CD1-CD1 4.38Å; L234-I238 HydrophobicContact CG-CD1 4.09Å; L234-I238 WeakPolarHBondContact O-CG1 3.33Å; L234-I238 PolarHBondContact O-N 2.91Å; V235-I238 PolarHBondContact O-N 3.42Å; I238-C240 VanDerWaalsContact C-N 3.29Å; I238-C240 PolarHBondContact O-N 3.3Å; I238-G241 PolarHBondContact O-N 2.9Å; I238-G241 VanDerWaalsContact O-N 3.12Å; I238-L242 HydrophobicContact CG2-CD1 3.89Å; I238-L242 HydrophobicContact CG2-CG 4.28Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 3.46Å |
| 239 | V | 95.3 | Very high | 93.9 | Very high | 92 Ų | 92 | 53.9 Ų | 53.9 | 56% | 0.558 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60 | -41.6 | 179.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | V235 L242 S243 | V235-V239 HydrophobicContact CG1-CG2 4.29Å; V235-V239 VanDerWaalsContact O-CG2 3.31Å; V235-V239 WeakPolarHBondContact O-CG2 3.25Å; V235-V239 PolarHBondContact O-N 2.83Å; V239-L242 PolarHBondContact O-N 3.21Å; V239-S243 PolarHBondContact O-N 2.68Å |
| 240 | C | 94.9 | Very high | 92.8 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 174.8 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | M144 L151 A236 G237 I238 S243 | M144-C240 PolarHBondContact O-SG 3.19Å; L151-C240 HydrophobicContact CD1-CB 4.32Å; A236-C240 WeakPolarHBondContact O-CB 3.17Å; A236-C240 PolarHBondContact O-N 3.47Å; G237-C240 PolarHBondContact O-N 3.46Å; I238-C240 VanDerWaalsContact C-N 3.29Å; I238-C240 PolarHBondContact O-N 3.3Å; C240-S243 WeakPolarHBondContact O-CB 3.49Å; C240-S243 PolarHBondContact O-N 3.18Å; C240-S243 PolarHBondContact O-OG 3.1Å |
| 241 | G | 95.2 | Very high | 92.7 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G237 I238 S243 V244 | G237-G241 PolarHBondContact O-N 3.36Å; I238-G241 PolarHBondContact O-N 2.9Å; I238-G241 VanDerWaalsContact O-N 3.12Å; G241-S243 VanDerWaalsContact C-N 3.28Å; G241-S243 PolarHBondContact O-N 3Å; G241-V244 VanDerWaalsContact O-CB 3.28Å; G241-V244 WeakPolarHBondContact O-CB 3.39Å; G241-V244 WeakPolarHBondContact O-CG2 3.3Å; G241-V244 PolarHBondContact O-N 3.13Å |
| 242 | L | 95.1 | Very high | 92.6 | Very high | 100 Ų | 100 | 59.8 Ų | 59.8 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.5 | -28.5 | 178 | -68.3 | 175.9 | 0 | 0 | 0 | 112.9 | I238 V239 V244 I245 | I238-L242 HydrophobicContact CG2-CD1 3.89Å; I238-L242 HydrophobicContact CG2-CG 4.28Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 3.46Å; V239-L242 PolarHBondContact O-N 3.21Å; L242-V244 PolarHBondContact O-N 3Å; L242-I245 HydrophobicContact CB-CD1 4.49Å; L242-I245 HydrophobicContact CD2-CD1 3.7Å; L242-I245 WeakPolarHBondContact O-CB 3.47Å; L242-I245 WeakPolarHBondContact O-CG1 3.28Å; L242-I245 PolarHBondContact O-N 2.72Å; L242-I245 VanDerWaalsContact O-N 3.09Å |
| 243 | S | 91.9 | Very high | 92.3 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 39% | 0.392 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -14.1 | 177.6 | 79.5 | 0 | 0 | 0 | 0 | 114.1 | V239 C240 G241 P246 | V239-S243 PolarHBondContact O-N 2.68Å; C240-S243 WeakPolarHBondContact O-CB 3.49Å; C240-S243 PolarHBondContact O-N 3.18Å; C240-S243 PolarHBondContact O-OG 3.1Å; G241-S243 VanDerWaalsContact C-N 3.28Å; G241-S243 PolarHBondContact O-N 3Å; S243-P246 WeakPolarHBondContact O-CD 3.33Å |
| 244 | V | 94 | Very high | 92.1 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 9% | 0.085 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -29.5 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | I141 M144 L145 G241 L242 L247 S248 | I141-V244 HydrophobicContact CB-CG1 4.1Å; I141-V244 HydrophobicContact CD1-CG1 4.44Å; I141-V244 HydrophobicContact CG1-CG1 3.84Å; I141-V244 HydrophobicContact CG2-CG1 3.62Å; M144-V244 HydrophobicContact CB-CG2 3.63Å; L145-V244 HydrophobicContact CD2-CG2 4.36Å; L145-V244 HydrophobicContact CG-CG2 4.43Å; G241-V244 VanDerWaalsContact O-CB 3.28Å; G241-V244 WeakPolarHBondContact O-CB 3.39Å; G241-V244 WeakPolarHBondContact O-CG2 3.3Å; G241-V244 PolarHBondContact O-N 3.13Å; L242-V244 PolarHBondContact O-N 3Å; V244-L247 WeakPolarHBondContact O-CB 3.34Å; V244-L247 PolarHBondContact O-N 2.64Å; V244-S248 PolarHBondContact O-N 3.07Å; V244-S248 VanDerWaalsContact O-N 3.09Å |
| 245 | I | 93.5 | Very high | 91.8 | Very high | 94 Ų | 94 | 64.3 Ų | 64.3 | 48% | 0.482 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.8 | -49.4 | -171.6 | -62.7 | 168.7 | 0 | 0 | 0 | 112.1 | L242 L247 S248 | L242-I245 HydrophobicContact CB-CD1 4.49Å; L242-I245 HydrophobicContact CD2-CD1 3.7Å; L242-I245 WeakPolarHBondContact O-CB 3.47Å; L242-I245 WeakPolarHBondContact O-CG1 3.28Å; L242-I245 PolarHBondContact O-N 2.72Å; L242-I245 VanDerWaalsContact O-N 3.09Å; I245-L247 PolarHBondContact O-N 2.76Å; I245-S248 PolarHBondContact O-N 3.39Å; I245-S248 PolarHBondContact O-OG 2.98Å |
| 246 | P | 90.8 | Very high | 91.5 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -29.7 | 179.5 | -22.9 | 35 | 0 | 0 | 0 | 113.6 | S243 F250 | S243-P246 WeakPolarHBondContact O-CD 3.33Å; P246-F250 WeakPolarHBondContact O-CD2 3.33Å; P246-F250 WeakPolarHBondContact O-CE2 3.32Å |
| 247 | L | 88.9 | Confident | 91.2 | Very high | 33 Ų | 33 | 67.6 Ų | 67.6 | 17% | 0.173 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -77.9 | -26.3 | 177.9 | -69.5 | 174 | 0 | 0 | 0 | 112.5 | I137 I140 I141 L188 V244 I245 C249 | I137-L247 HydrophobicContact CG2-CB 4.28Å; I137-L247 WeakPolarHBondContact CG2-O 3.42Å; I140-L247 HydrophobicContact CB-CD1 4.29Å; I140-L247 HydrophobicContact CG2-CD1 3.5Å; I140-L247 VanDerWaalsContact CG2-CD1 3.5Å; I141-L247 HydrophobicContact CD1-CB 4.34Å; I141-L247 HydrophobicContact CG1-CB 4.16Å; L188-L247 HydrophobicContact CD2-CD2 3.87Å; V244-L247 WeakPolarHBondContact O-CB 3.34Å; V244-L247 PolarHBondContact O-N 2.64Å; I245-L247 PolarHBondContact O-N 2.76Å; L247-C249 PolarHBondContact O-N 3.29Å |
| 248 | S | 87.4 | Confident | 90.8 | Very high | 71 Ų | 71 | 72.8 Ų | 72.8 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74.1 | -12.5 | 178.8 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | V244 I245 F250 | V244-S248 PolarHBondContact O-N 3.07Å; V244-S248 VanDerWaalsContact O-N 3.09Å; I245-S248 PolarHBondContact O-N 3.39Å; I245-S248 PolarHBondContact O-OG 2.98Å; S248-F250 VanDerWaalsContact C-N 3.34Å |
| 249 | C | 83.3 | Confident | 90.2 | Very high | 105 Ų | 105 | 72 Ų | 72 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.6 | 179.7 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | L247 | L247-C249 PolarHBondContact O-N 3.29Š|
| 250 | F | 72.3 | Confident | 89.8 | Confident | 175 Ų | 175 | 70.2 Ų | 70.2 | 77% | 0.768 | 41% | 0.41 | S | S | * | . | trans | -107.5 | 0 | -177.9 | -73.3 | -84 | 0 | 0 | 0 | 112.6 | I137 P246 S248 | I137-F250 HydrophobicContact CD1-CB 3.93Å; P246-F250 WeakPolarHBondContact O-CD2 3.33Å; P246-F250 WeakPolarHBondContact O-CE2 3.32Å; S248-F250 VanDerWaalsContact C-N 3.34Å |
Retrieved 250 of 250 residues in 163.6 ms
(Link to these results)