| 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 | 34.2 | Very low | 41.5 | Very low | 247 Ų | 247 | 151.7 Ų | 151.7 | 100% | 1.217 | 86% | 0.855 | S | S | * | * | 0 | 111.2 | 0 | -100.4 | 169 | 143.2 | 0 | 0 | 107.4 | |||||
| 2 | N | 36.1 | Very low | 42.3 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | 49 | 100.3 | 169 | -69.5 | 10.3 | 0 | 0 | 0 | 119.7 | ||||
| 3 | E | 37.4 | Very low | 43 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -44.6 | 123.9 | 137 | -67.6 | 162.7 | 123.3 | 0 | 0 | 111.1 | ||||
| 4 | S | 44.4 | Very low | 43.7 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -165.3 | 65.6 | 154.3 | 64 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 5 | N | 40.5 | Very low | 44.2 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -143.1 | 34.5 | 167.5 | -93.1 | -16.6 | 0 | 0 | 0 | 110.8 | A7 | N5-A7 PolarHBondContact O-N 3.42Š| ||
| 6 | A | 42.6 | Very low | 44.6 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -72.8 | 93.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | N8 | A6-N8 PolarHBondContact O-N 3.15Š| ||
| 7 | A | 43.5 | Very low | 45.6 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | -49.3 | 125.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | N5 E9 | N5-A7 PolarHBondContact O-N 3.42Å; A7-E9 PolarHBondContact O-N 3.33Å | ||
| 8 | N | 40.5 | Very low | 45.9 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | -57.8 | 85.8 | 164.2 | -84.5 | -18.3 | 0 | 0 | 0 | 108 | A6 A10 | A6-N8 PolarHBondContact O-N 3.15Å; N8-A10 PolarHBondContact O-N 2.77Å | ||
| 9 | E | 42.6 | Very low | 46.1 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | trans | -61.1 | 98.2 | 149.2 | -97 | 174.7 | 148 | 0 | 0 | 105.1 | A7 E11 | A7-E9 PolarHBondContact O-N 3.33Å; E9-E11 VanDerWaalsContact C-N 3.27Å; E9-E11 PolarHBondContact O-N 3.29Å | ||
| 10 | A | 47.6 | Very low | 46 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | -56.1 | 99.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | N8 I12 | N8-A10 PolarHBondContact O-N 2.77Å; A10-I12 VanDerWaalsContact C-N 3.29Å; A10-I12 PolarHBondContact O-N 3.2Å | ||
| 11 | E | 46.9 | Very low | 46.1 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -58.1 | 96.3 | 173.5 | -163.9 | 174.1 | -165.6 | 0 | 0 | 106.5 | E9 P13 | E9-E11 VanDerWaalsContact C-N 3.27Å; E9-E11 PolarHBondContact O-N 3.29Å; E11-P13 VanDerWaalsContact O-CD 3.25Å; E11-P13 WeakPolarHBondContact O-CD 3.49Å | ||
| 12 | I | 51.8 | Low | 47.2 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 61% | 0.605 | 69% | 0.69 | S | S | * | * | trans | -58.9 | 114.7 | 174.1 | -63.6 | 170.4 | 0 | 0 | 0 | 104.5 | A10 H14 A16 V17 | A10-I12 VanDerWaalsContact C-N 3.29Å; A10-I12 PolarHBondContact O-N 3.2Å; I12-H14 PolarHBondContact O-N 3.06Å; I12-A16 HydrophobicContact CG2-CB 3.97Å; I12-V17 HydrophobicContact CG2-CG2 3.98Å | ||
| 13 | P | 51.5 | Low | 48 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | trans | -57.4 | 134.2 | -171 | 17.9 | -28.7 | 0 | 0 | 0 | 109 | E11 E15 A16 V17 | E11-P13 VanDerWaalsContact O-CD 3.25Å; E11-P13 WeakPolarHBondContact O-CD 3.49Å; P13-E15 CarbonylContact O-C 3.55Å; P13-E15 PolarHBondContact O-N 3.1Å; P13-A16 HydrophobicContact CG-CB 4.19Å; P13-A16 WeakPolarHBondContact O-CA 3.16Å; P13-A16 WeakPolarHBondContact O-CB 3.12Å; P13-A16 PolarHBondContact O-N 3.27Å; P13-V17 PolarHBondContact O-N 3.18Å | ||
| 14 | H | 52.9 | Low | 48.7 | Very low | 156 Ų | 156 | 119.7 Ų | 119.7 | 72% | 0.722 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -47.9 | -29.9 | -177.3 | -113.6 | -81.6 | 0 | 0 | 0 | 113.3 | I12 V17 H18 | I12-H14 PolarHBondContact O-N 3.06Å; H14-V17 PolarHBondContact O-N 2.83Å; H14-H18 PolarHBondContact O-N 3.11Å; H14-H18 VanDerWaalsContact O-N 3.08Å |
| 15 | E | 50.4 | Low | 49.4 | Very low | 164 Ų | 164 | 119.6 Ų | 119.6 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.8 | -40.5 | 171.6 | -85.4 | -171.7 | 143.9 | 0 | 0 | 113.9 | P13 V17 H18 L19 | P13-E15 CarbonylContact O-C 3.55Å; P13-E15 PolarHBondContact O-N 3.1Å; E15-V17 VanDerWaalsContact C-N 3.31Å; E15-V17 PolarHBondContact O-N 3.38Å; E15-H18 PolarHBondContact O-N 3.3Å; E15-L19 VanDerWaalsContact O-CB 3.26Å; E15-L19 WeakPolarHBondContact O-CB 3.02Å; E15-L19 PolarHBondContact O-N 2.93Å |
| 16 | A | 50.8 | Low | 50.6 | Low | 42 Ų | 42 | 115.1 Ų | 115.1 | 35% | 0.347 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.8 | -33.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I12 P13 K20 | I12-A16 HydrophobicContact CG2-CB 3.97Å; P13-A16 HydrophobicContact CG-CB 4.19Å; P13-A16 WeakPolarHBondContact O-CA 3.16Å; P13-A16 WeakPolarHBondContact O-CB 3.12Å; P13-A16 PolarHBondContact O-N 3.27Å; A16-K20 VanDerWaalsContact O-CB 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.3Å; A16-K20 PolarHBondContact O-N 3.22Å |
| 17 | V | 61.4 | Low | 51.5 | Low | 69 Ų | 69 | 116.3 Ų | 116.3 | 42% | 0.418 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.3 | -47.6 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | I12 P13 H14 E15 L19 K20 Q21 | I12-V17 HydrophobicContact CG2-CG2 3.98Å; P13-V17 PolarHBondContact O-N 3.18Å; H14-V17 PolarHBondContact O-N 2.83Å; E15-V17 VanDerWaalsContact C-N 3.31Å; E15-V17 PolarHBondContact O-N 3.38Å; V17-L19 PolarHBondContact O-N 3.5Å; V17-K20 PolarHBondContact O-N 3.46Å; V17-Q21 WeakPolarHBondContact O-CB 3.13Å; V17-Q21 PolarHBondContact O-N 2.96Å |
| 18 | H | 51.4 | Low | 52.5 | Low | 120 Ų | 120 | 118.7 Ų | 118.7 | 56% | 0.556 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.9 | -42.9 | 175.8 | -103.5 | -74.4 | 0 | 0 | 0 | 112.6 | H14 E15 Q21 Q22 | H14-H18 PolarHBondContact O-N 3.11Å; H14-H18 VanDerWaalsContact O-N 3.08Å; E15-H18 PolarHBondContact O-N 3.3Å; H18-Q21 PolarHBondContact O-N 2.97Å; H18-Q22 WeakPolarHBondContact O-CB 3.29Å; H18-Q22 PolarHBondContact O-N 2.83Å |
| 19 | L | 48.5 | Very low | 54.1 | Low | 113 Ų | 113 | 111.6 Ų | 111.6 | 59% | 0.592 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.6 | -45.6 | 178.6 | -165 | 81 | 0 | 0 | 0 | 110.5 | E15 V17 Q21 Q22 L23 | E15-L19 VanDerWaalsContact O-CB 3.26Å; E15-L19 WeakPolarHBondContact O-CB 3.02Å; E15-L19 PolarHBondContact O-N 2.93Å; V17-L19 PolarHBondContact O-N 3.5Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.47Å; L19-Q22 PolarHBondContact O-N 2.98Å; L19-L23 VanDerWaalsContact O-CB 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.3Å; L19-L23 PolarHBondContact O-N 3.15Å |
| 20 | K | 45.4 | Very low | 55.9 | Low | 144 Ų | 144 | 104.5 Ų | 104.5 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.9 | -38.5 | 177.3 | -169 | 175.4 | -177.7 | -177.8 | 0 | 111.7 | A16 V17 L23 N24 | A16-K20 VanDerWaalsContact O-CB 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.3Å; A16-K20 PolarHBondContact O-N 3.22Å; V17-K20 PolarHBondContact O-N 3.46Å; K20-L23 PolarHBondContact O-N 2.95Å; K20-N24 WeakPolarHBondContact O-CB 3.49Å; K20-N24 PolarHBondContact O-N 3.31Å |
| 21 | Q | 48.8 | Very low | 57.5 | Low | 115 Ų | 115 | 103.5 Ų | 103.5 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 177.3 | -166.9 | 163 | -9.6 | 0 | 0 | 111.8 | V17 H18 L19 N24 L25 | V17-Q21 WeakPolarHBondContact O-CB 3.13Å; V17-Q21 PolarHBondContact O-N 2.96Å; H18-Q21 PolarHBondContact O-N 2.97Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.47Å; Q21-N24 PolarHBondContact O-N 3.44Å; Q21-L25 HydrophobicContact CG-CD1 4.17Å; Q21-L25 WeakPolarHBondContact O-CB 3.49Å; Q21-L25 WeakPolarHBondContact O-CD1 3.2Å; Q21-L25 WeakPolarHBondContact O-CG 3.36Å; Q21-L25 PolarHBondContact O-N 2.83Å |
| 22 | Q | 56.8 | Low | 59.2 | Low | 125 Ų | 125 | 97.2 Ų | 97.2 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -38.7 | 170.8 | -82.6 | -174.5 | -54.2 | 0 | 0 | 112.3 | H18 L19 T26 | H18-Q22 WeakPolarHBondContact O-CB 3.29Å; H18-Q22 PolarHBondContact O-N 2.83Å; L19-Q22 PolarHBondContact O-N 2.98Å; Q22-T26 WeakPolarHBondContact O-CB 3.24Å; Q22-T26 WeakPolarHBondContact O-CG2 3.44Å; Q22-T26 PolarHBondContact O-N 3.4Å; Q22-T26 PolarHBondContact O-OG1 2.8Å |
| 23 | L | 51.8 | Low | 60.7 | Low | 109 Ų | 109 | 91.9 Ų | 91.9 | 57% | 0.571 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67 | -41.2 | 178.3 | -144.6 | 101.1 | 0 | 0 | 0 | 111.1 | L19 K20 T26 H27 | L19-L23 VanDerWaalsContact O-CB 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.3Å; L19-L23 PolarHBondContact O-N 3.15Å; K20-L23 PolarHBondContact O-N 2.95Å; L23-T26 VanDerWaalsContact CA-OG1 3.26Å; L23-T26 WeakPolarHBondContact CA-OG1 3.4Å; L23-T26 PolarHBondContact O-N 3.5Å; L23-T26 PolarHBondContact O-OG1 3.46Å; L23-H27 VanDerWaalsContact O-CB 3.24Å; L23-H27 WeakPolarHBondContact O-CB 3.41Å; L23-H27 PolarHBondContact O-N 2.85Å |
| 24 | N | 52.6 | Low | 62.5 | Low | 85 Ų | 85 | 93 Ų | 93 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 176.1 | -77.3 | -1.1 | 0 | 0 | 0 | 111.3 | K20 Q21 T26 H27 E28 | K20-N24 WeakPolarHBondContact O-CB 3.49Å; K20-N24 PolarHBondContact O-N 3.31Å; Q21-N24 PolarHBondContact O-N 3.44Å; N24-T26 VanDerWaalsContact C-N 3.31Å; N24-T26 PolarHBondContact O-N 3.35Å; N24-H27 PolarHBondContact O-N 2.99Å; N24-E28 WeakPolarHBondContact O-CB 3.3Å; N24-E28 WeakPolarHBondContact O-CG 3.18Å; N24-E28 PolarHBondContact O-N 3.12Å |
| 25 | L | 60 | Low | 64 | Low | 101 Ų | 101 | 89.2 Ų | 89.2 | 53% | 0.529 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 175.3 | -85 | 156.1 | 0 | 0 | 0 | 112.5 | Q21 G29 | Q21-L25 HydrophobicContact CG-CD1 4.17Å; Q21-L25 WeakPolarHBondContact O-CB 3.49Å; Q21-L25 WeakPolarHBondContact O-CD1 3.2Å; Q21-L25 WeakPolarHBondContact O-CG 3.36Å; Q21-L25 PolarHBondContact O-N 2.83Å; L25-G29 PolarHBondContact O-N 3.38Å |
| 26 | T | 64.2 | Low | 65.7 | Low | 74 Ų | 74 | 82.8 Ų | 82.8 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.2 | -37.5 | 175.2 | 44.7 | 0 | 0 | 0 | 0 | 111.7 | Q22 L23 N24 G29 T30 | Q22-T26 WeakPolarHBondContact O-CB 3.24Å; Q22-T26 WeakPolarHBondContact O-CG2 3.44Å; Q22-T26 PolarHBondContact O-N 3.4Å; Q22-T26 PolarHBondContact O-OG1 2.8Å; L23-T26 VanDerWaalsContact CA-OG1 3.26Å; L23-T26 WeakPolarHBondContact CA-OG1 3.4Å; L23-T26 PolarHBondContact O-N 3.5Å; L23-T26 PolarHBondContact O-OG1 3.46Å; N24-T26 VanDerWaalsContact C-N 3.31Å; N24-T26 PolarHBondContact O-N 3.35Å; T26-G29 PolarHBondContact O-N 3.37Å; T26-T30 WeakPolarHBondContact O-CB 3.43Å; T26-T30 WeakPolarHBondContact O-CG2 3.45Å; T26-T30 PolarHBondContact O-N 3.26Å; T26-T30 PolarHBondContact O-OG1 3.46Å |
| 27 | H | 63 | Low | 67.6 | Low | 123 Ų | 123 | 81.7 Ų | 81.7 | 57% | 0.569 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.2 | -48 | 175.7 | -172.7 | -83.1 | 0 | 0 | 0 | 111.6 | L23 N24 G29 T30 V31 | L23-H27 VanDerWaalsContact O-CB 3.24Å; L23-H27 WeakPolarHBondContact O-CB 3.41Å; L23-H27 PolarHBondContact O-N 2.85Å; N24-H27 PolarHBondContact O-N 2.99Å; H27-G29 VanDerWaalsContact C-N 3.34Å; H27-G29 PolarHBondContact O-N 3.01Å; H27-T30 WeakPolarHBondContact CA-OG1 3.31Å; H27-T30 PolarHBondContact O-N 3.49Å; H27-T30 PolarHBondContact O-OG1 3.16Å; H27-V31 WeakPolarHBondContact O-CG2 3.45Å; H27-V31 PolarHBondContact O-N 3.26Å |
| 28 | E | 64.7 | Low | 69 | Low | 137 Ų | 137 | 82.7 Ų | 82.7 | 64% | 0.64 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 175.4 | -72.1 | -179.2 | 173.7 | 0 | 0 | 111.9 | N24 T30 V31 A32 | N24-E28 WeakPolarHBondContact O-CB 3.3Å; N24-E28 WeakPolarHBondContact O-CG 3.18Å; N24-E28 PolarHBondContact O-N 3.12Å; E28-T30 PolarHBondContact O-N 3.17Å; E28-V31 PolarHBondContact O-N 3.42Å; E28-A32 PolarHBondContact O-N 3.48Å; E28-A32 VanDerWaalsContact O-N 3.09Å |
| 29 | G | 72.1 | Confident | 70.8 | Confident | 15 Ų | 15 | 77.5 Ų | 77.5 | 16% | 0.155 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L25 T26 H27 V31 A32 D33 Y93 | L25-G29 PolarHBondContact O-N 3.38Å; T26-G29 PolarHBondContact O-N 3.37Å; H27-G29 VanDerWaalsContact C-N 3.34Å; H27-G29 PolarHBondContact O-N 3.01Å; G29-V31 PolarHBondContact O-N 3.26Å; G29-A32 PolarHBondContact O-N 2.9Å; G29-D33 WeakPolarHBondContact O-CB 3.46Å; G29-D33 PolarHBondContact O-N 3.11Å; G29-Y93 VanDerWaalsContact C-OH 3.27Å; G29-Y93 PolarHBondContact O-OH 3.12Å |
| 30 | T | 80.4 | Confident | 72.8 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -38.5 | -178.6 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | T26 H27 E28 D33 M34 Y93 | T26-T30 WeakPolarHBondContact O-CB 3.43Å; T26-T30 WeakPolarHBondContact O-CG2 3.45Å; T26-T30 PolarHBondContact O-N 3.26Å; T26-T30 PolarHBondContact O-OG1 3.46Å; H27-T30 WeakPolarHBondContact CA-OG1 3.31Å; H27-T30 PolarHBondContact O-N 3.49Å; H27-T30 PolarHBondContact O-OG1 3.16Å; E28-T30 PolarHBondContact O-N 3.17Å; T30-D33 PolarHBondContact O-N 2.97Å; T30-M34 WeakPolarHBondContact O-CG 3.12Å; T30-M34 PolarHBondContact O-N 3.46Å; T30-Y93 HydrophobicContact CG2-CD2 4.02Å; T30-Y93 HydrophobicContact CG2-CE2 3.49Å; T30-Y93 VanDerWaalsContact CG2-CE2 3.49Å |
| 31 | V | 83 | Confident | 75.1 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 39% | 0.394 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 175.4 | 174 | 0 | 0 | 0 | 0 | 111 | H27 E28 G29 D33 M34 L35 | H27-V31 WeakPolarHBondContact O-CG2 3.45Å; H27-V31 PolarHBondContact O-N 3.26Å; E28-V31 PolarHBondContact O-N 3.42Å; G29-V31 PolarHBondContact O-N 3.26Å; V31-D33 PolarHBondContact O-N 3.48Å; V31-M34 PolarHBondContact O-N 3.45Å; V31-L35 HydrophobicContact CG1-CD1 4.31Å; V31-L35 WeakPolarHBondContact O-CG 3.27Å; V31-L35 PolarHBondContact O-N 3.47Å |
| 32 | A | 80.8 | Confident | 77.1 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E28 G29 L35 N36 | E28-A32 PolarHBondContact O-N 3.48Å; E28-A32 VanDerWaalsContact O-N 3.09Å; G29-A32 PolarHBondContact O-N 2.9Å; A32-L35 PolarHBondContact O-N 2.77Å; A32-N36 VanDerWaalsContact O-CG 3.28Å; A32-N36 PolarHBondContact O-N 3.2Å; A32-N36 PolarHBondContact O-ND2 2.81Å; A32-N36 VanDerWaalsContact O-ND2 3.12Å |
| 33 | D | 84.7 | Confident | 78.7 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74 | -34.2 | 179 | -70.2 | -20.8 | 0 | 0 | 0 | 113.5 | G29 T30 V31 N36 A37 R89 F90 Y93 | G29-D33 WeakPolarHBondContact O-CB 3.46Å; G29-D33 PolarHBondContact O-N 3.11Å; T30-D33 PolarHBondContact O-N 2.97Å; V31-D33 PolarHBondContact O-N 3.48Å; D33-N36 PolarHBondContact O-N 3.13Å; D33-A37 PolarHBondContact O-N 3.38Å; D33-R89 WeakPolarHBondContact OD1-CD 3.43Å; D33-R89 IonicContact OD1-CZ 3.17Å; D33-R89 IonicContact OD1-NE 3.58Å; D33-R89 IonicContact OD1-NH1 2.85Å; D33-R89 PolarHBondContact OD1-NH1 3.35Å; D33-R89 VanDerWaalsContact OD2-CB 3.23Å; D33-R89 WeakPolarHBondContact OD2-CB 3.48Å; D33-R89 WeakPolarHBondContact OD2-CD 3.39Å; D33-F90 HydrophobicContact CB-CE1 4.42Å; D33-F90 HydrophobicContact CB-CZ 4.09Å; D33-Y93 PolarHBondContact OD2-OH 3.43Å |
| 34 | M | 87.9 | Confident | 80.7 | Confident | 107 Ų | 107 | 61.6 Ų | 61.6 | 53% | 0.527 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 169.1 | -72.6 | -175.8 | -170.2 | 0 | 0 | 111.3 | T30 V31 N36 A37 L38 F90 | T30-M34 WeakPolarHBondContact O-CG 3.12Å; T30-M34 PolarHBondContact O-N 3.46Å; V31-M34 PolarHBondContact O-N 3.45Å; M34-N36 VanDerWaalsContact C-N 3.34Å; M34-A37 PolarHBondContact O-N 2.87Å; M34-L38 WeakPolarHBondContact O-CG 3.42Å; M34-L38 PolarHBondContact O-N 3.02Å; M34-F90 HydrophobicContact CG-CE1 4.44Å; M34-F90 HydrophobicContact CG-CZ 3.84Å |
| 35 | L | 86.3 | Confident | 82.6 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.1 | -71.4 | 173.5 | 0 | 0 | 0 | 111.5 | V31 A32 A37 L38 Y39 | V31-L35 HydrophobicContact CG1-CD1 4.31Å; V31-L35 WeakPolarHBondContact O-CG 3.27Å; V31-L35 PolarHBondContact O-N 3.47Å; A32-L35 PolarHBondContact O-N 2.77Å; L35-A37 PolarHBondContact O-N 3.4Å; L35-L38 PolarHBondContact O-N 3.26Å; L35-Y39 WeakPolarHBondContact O-CB 3.29Å; L35-Y39 PolarHBondContact O-N 3.48Å |
| 36 | N | 86.2 | Confident | 84.1 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 173.7 | -74.3 | -35.8 | 0 | 0 | 0 | 111.9 | A32 D33 M34 L38 Y39 G40 F82 R89 | A32-N36 VanDerWaalsContact O-CG 3.28Å; A32-N36 PolarHBondContact O-N 3.2Å; A32-N36 PolarHBondContact O-ND2 2.81Å; A32-N36 VanDerWaalsContact O-ND2 3.12Å; D33-N36 PolarHBondContact O-N 3.13Å; M34-N36 VanDerWaalsContact C-N 3.34Å; N36-L38 PolarHBondContact O-N 2.83Å; N36-Y39 WeakPolarHBondContact O-CB 3.39Å; N36-Y39 PolarHBondContact O-N 3.36Å; N36-G40 PolarHBondContact O-N 2.89Å; N36-F82 HydrophobicContact CB-CD1 4.13Å; N36-F82 WeakPolarHBondContact O-CB 3.31Å; N36-R89 PolarHBondContact ND2-NH1 3.13Å; N36-R89 VanDerWaalsContact ND2-NH1 3.14Å |
| 37 | A | 90.1 | Very high | 85.5 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D33 M34 L35 G40 F41 A86 | D33-A37 PolarHBondContact O-N 3.38Å; M34-A37 PolarHBondContact O-N 2.87Å; L35-A37 PolarHBondContact O-N 3.4Å; A37-G40 WeakPolarHBondContact O-CA 3.41Å; A37-G40 PolarHBondContact O-N 2.83Å; A37-G40 VanDerWaalsContact O-N 3.16Å; A37-F41 WeakPolarHBondContact O-CD2 3.45Å; A37-F41 PolarHBondContact O-N 3.43Å; A37-A86 HydrophobicContact CB-CB 3.8Å |
| 38 | L | 90.4 | Very high | 87 | Confident | 91 Ų | 91 | 49.2 Ų | 49.2 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 177.3 | -72.3 | 171.7 | 0 | 0 | 0 | 111.7 | M34 L35 N36 G40 F41 F42 | M34-L38 WeakPolarHBondContact O-CG 3.42Å; M34-L38 PolarHBondContact O-N 3.02Å; L35-L38 PolarHBondContact O-N 3.26Å; N36-L38 PolarHBondContact O-N 2.83Å; L38-G40 PolarHBondContact O-N 3.31Å; L38-F41 PolarHBondContact O-N 3.47Å; L38-F41 VanDerWaalsContact O-N 3.13Å; L38-F42 WeakPolarHBondContact O-CD2 3.44Å; L38-F42 PolarHBondContact O-N 2.72Å |
| 39 | Y | 88.4 | Confident | 88.2 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -50.1 | -50 | 171.9 | 178.7 | -72.7 | 0 | 0 | 0 | 109.8 | L35 N36 F41 F42 A43 F82 D283 T284 | L35-Y39 WeakPolarHBondContact O-CB 3.29Å; L35-Y39 PolarHBondContact O-N 3.48Å; N36-Y39 WeakPolarHBondContact O-CB 3.39Å; N36-Y39 PolarHBondContact O-N 3.36Å; Y39-F41 VanDerWaalsContact C-N 3.32Å; Y39-F41 PolarHBondContact O-N 2.74Å; Y39-F42 PolarHBondContact O-N 3.4Å; Y39-A43 HydrophobicContact CD1-CB 4.31Å; Y39-A43 HydrophobicContact CE1-CB 4Å; Y39-A43 WeakPolarHBondContact O-CB 3.35Å; Y39-A43 PolarHBondContact O-N 3.41Å; Y39-F82 HydrophobicContact CD1-CB 4.12Å; Y39-F82 HydrophobicContact CD1-CD1 4.18Å; Y39-F82 AromaticContact CD1-CD2 3.11Å; Y39-F82 HydrophobicContact CD1-CD2 3.11Å; Y39-F82 HydrophobicContact CD1-CE1 4.46Å; Y39-F82 AromaticContact CD1-CE2 3.47Å; Y39-F82 HydrophobicContact CD1-CE2 3.47Å; Y39-F82 VanDerWaalsContact CD1-CE2 3.47Å; Y39-F82 AromaticContact CD1-CG 3.54Å; Y39-F82 HydrophobicContact CD1-CG 3.54Å; Y39-F82 HydrophobicContact CD1-CZ 4.16Å; Y39-F82 AromaticContact CE1-CD2 3.16Å; Y39-F82 HydrophobicContact CE1-CD2 3.16Å; Y39-F82 AromaticContact CE1-CE2 3.13Å; Y39-F82 HydrophobicContact CE1-CE2 3.13Å; Y39-F82 HydrophobicContact CE1-CG 4.07Å; Y39-F82 HydrophobicContact CE1-CZ 4.02Å; Y39-F82 HydrophobicContact CG-CD2 4.15Å; Y39-F82 HydrophobicContact CG-CE2 4.34Å; Y39-F82 HydrophobicContact CG-CG 4.29Å; Y39-F82 AromaticContact CZ-CE2 3.73Å; Y39-D283 WeakPolarHBondContact CE2-OD2 3.42Å; Y39-D283 PolarHBondContact OH-OD2 3.39Å; Y39-T284 HydrophobicContact CD2-CG2 3.8Å; Y39-T284 WeakPolarHBondContact CD2-OG1 3.32Å; Y39-T284 HydrophobicContact CE2-CG2 4.4Å; Y39-T284 HydrophobicContact CG-CG2 4.19Å |
| 40 | G | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.8 | -46.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N36 A37 L38 L44 G79 | N36-G40 PolarHBondContact O-N 2.89Å; A37-G40 WeakPolarHBondContact O-CA 3.41Å; A37-G40 PolarHBondContact O-N 2.83Å; A37-G40 VanDerWaalsContact O-N 3.16Å; L38-G40 PolarHBondContact O-N 3.31Å; G40-L44 WeakPolarHBondContact O-CB 3.36Å; G40-L44 PolarHBondContact O-N 3.07Å; G40-G79 WeakPolarHBondContact CA-O 3.18Å; G40-G79 WeakPolarHBondContact O-CA 3.39Å |
| 41 | F | 92.3 | Very high | 89.7 | Confident | 111 Ų | 111 | 45 Ų | 45 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 176.3 | -77.5 | -70.7 | 0 | 0 | 0 | 113.3 | A37 L38 Y39 A43 L44 V45 I83 | A37-F41 WeakPolarHBondContact O-CD2 3.45Å; A37-F41 PolarHBondContact O-N 3.43Å; L38-F41 PolarHBondContact O-N 3.47Å; L38-F41 VanDerWaalsContact O-N 3.13Å; Y39-F41 VanDerWaalsContact C-N 3.32Å; Y39-F41 PolarHBondContact O-N 2.74Å; F41-A43 VanDerWaalsContact C-N 3.32Å; F41-A43 PolarHBondContact O-N 3.47Å; F41-L44 PolarHBondContact O-N 2.85Å; F41-V45 WeakPolarHBondContact O-CB 3.43Å; F41-V45 WeakPolarHBondContact O-CG2 3.42Å; F41-V45 PolarHBondContact O-N 2.94Å; F41-I83 HydrophobicContact CD1-CD1 4.29Å; F41-I83 HydrophobicContact CE1-CD1 4.29Å; F41-I83 HydrophobicContact CG-CD1 4.46Å; F41-I83 HydrophobicContact CZ-CD1 4.44Å |
| 42 | F | 90.5 | Very high | 90.1 | Very high | 119 Ų | 119 | 46.2 Ų | 46.2 | 52% | 0.522 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.3 | -33.6 | 178.9 | -83.4 | -68.6 | 0 | 0 | 0 | 112.5 | L38 Y39 P46 T284 S288 | L38-F42 WeakPolarHBondContact O-CD2 3.44Å; L38-F42 PolarHBondContact O-N 2.72Å; Y39-F42 PolarHBondContact O-N 3.4Å; F42-P46 WeakPolarHBondContact O-CD 3.41Å; F42-P46 WeakPolarHBondContact O-CG 3.28Å; F42-T284 HydrophobicContact CB-CG2 3.97Å; F42-S288 PolarHBondContact O-OG 2.87Å |
| 43 | A | 91.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.6 | -47.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y39 F41 N47 V287 | Y39-A43 HydrophobicContact CD1-CB 4.31Å; Y39-A43 HydrophobicContact CE1-CB 4Å; Y39-A43 WeakPolarHBondContact O-CB 3.35Å; Y39-A43 PolarHBondContact O-N 3.41Å; F41-A43 VanDerWaalsContact C-N 3.32Å; F41-A43 PolarHBondContact O-N 3.47Å; A43-N47 VanDerWaalsContact O-CB 3.29Å; A43-N47 WeakPolarHBondContact O-CB 3.31Å; A43-N47 PolarHBondContact O-ND2 3.11Å; A43-V287 HydrophobicContact CB-CG1 3.95Å |
| 44 | L | 94 | Very high | 90.7 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -56.2 | -172.5 | 177.7 | 59.6 | 0 | 0 | 0 | 113.2 | G40 F41 A48 V76 I80 I83 | G40-L44 WeakPolarHBondContact O-CB 3.36Å; G40-L44 PolarHBondContact O-N 3.07Å; F41-L44 PolarHBondContact O-N 2.85Å; L44-A48 HydrophobicContact CD1-CB 4.45Å; L44-A48 WeakPolarHBondContact O-CB 3.02Å; L44-A48 PolarHBondContact O-N 3.48Å; L44-V76 HydrophobicContact CD1-CB 4.32Å; L44-V76 HydrophobicContact CD1-CG1 3.71Å; L44-V76 HydrophobicContact CD1-CG2 4.34Å; L44-I80 HydrophobicContact CD1-CD1 4.46Å; L44-I80 HydrophobicContact CD1-CG1 4.06Å; L44-I83 HydrophobicContact CD2-CD1 3.68Å |
| 45 | V | 92.6 | Very high | 90.6 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -56.5 | -167.2 | 174.8 | 0 | 0 | 0 | 0 | 113 | F41 N47 A48 L49 | F41-V45 WeakPolarHBondContact O-CB 3.43Å; F41-V45 WeakPolarHBondContact O-CG2 3.42Å; F41-V45 PolarHBondContact O-N 2.94Å; V45-N47 PolarHBondContact O-N 3.17Å; V45-A48 PolarHBondContact O-N 3.5Å; V45-L49 HydrophobicContact CG1-CD1 4.23Å; V45-L49 WeakPolarHBondContact O-CG 3.29Å; V45-L49 PolarHBondContact O-N 3.27Å |
| 46 | P | 91.3 | Very high | 90.5 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -38 | -178.1 | 26.8 | -34.3 | 0 | 0 | 0 | 112 | F42 L49 L50 V291 | F42-P46 WeakPolarHBondContact O-CD 3.41Å; F42-P46 WeakPolarHBondContact O-CG 3.28Å; P46-L49 PolarHBondContact O-N 3.02Å; P46-L50 WeakPolarHBondContact O-CB 3.47Å; P46-L50 PolarHBondContact O-N 3.43Å; P46-V291 HydrophobicContact CB-CB 4.03Å; P46-V291 HydrophobicContact CB-CG1 3.96Å; P46-V291 HydrophobicContact CB-CG2 4.07Å |
| 47 | N | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.7 | -35 | 180 | -71.1 | -81.8 | 0 | 0 | 0 | 112 | A43 V45 L50 L51 A72 N75 V76 V291 | A43-N47 VanDerWaalsContact O-CB 3.29Å; A43-N47 WeakPolarHBondContact O-CB 3.31Å; A43-N47 PolarHBondContact O-ND2 3.11Å; V45-N47 PolarHBondContact O-N 3.17Å; N47-L50 PolarHBondContact O-N 3.25Å; N47-L51 WeakPolarHBondContact O-CB 3.37Å; N47-L51 PolarHBondContact O-N 2.91Å; N47-A72 HydrophobicContact CB-CB 4.41Å; N47-N75 HydrophobicContact CB-CB 3.98Å; N47-N75 VanDerWaalsContact CG-CB 3.41Å; N47-N75 PolarHBondContact OD1-ND2 3.37Å; N47-N75 VanDerWaalsContact OD1-ND2 3.11Å; N47-V76 HydrophobicContact CB-CG2 3.73Å; N47-V291 HydrophobicContact CB-CG2 4.34Å; N47-V291 WeakPolarHBondContact OD1-CG2 3.44Å |
| 48 | A | 93.8 | Very high | 89.2 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L44 V45 L50 L51 I52 V76 | L44-A48 HydrophobicContact CD1-CB 4.45Å; L44-A48 WeakPolarHBondContact O-CB 3.02Å; L44-A48 PolarHBondContact O-N 3.48Å; V45-A48 PolarHBondContact O-N 3.5Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-L50 PolarHBondContact O-N 3.49Å; A48-L51 PolarHBondContact O-N 3.41Å; A48-I52 VanDerWaalsContact O-CG1 3.23Å; A48-I52 WeakPolarHBondContact O-CG1 3.22Å; A48-I52 PolarHBondContact O-N 3.43Å; A48-V76 HydrophobicContact CB-CG2 4.02Å |
| 49 | L | 91.4 | Very high | 88.5 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 174.4 | -71.3 | 171.4 | 0 | 0 | 0 | 111.5 | V45 P46 L51 I52 V53 L308 | V45-L49 HydrophobicContact CG1-CD1 4.23Å; V45-L49 WeakPolarHBondContact O-CG 3.29Å; V45-L49 PolarHBondContact O-N 3.27Å; P46-L49 PolarHBondContact O-N 3.02Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.42Å; L49-I52 PolarHBondContact O-N 3.37Å; L49-V53 WeakPolarHBondContact O-CG2 3.49Å; L49-V53 PolarHBondContact O-N 3.25Å; L49-L308 HydrophobicContact CD2-CD2 3.64Å; L49-L308 HydrophobicContact CD2-CG 4.36Å |
| 50 | L | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 176.2 | -180 | 60 | 0 | 0 | 0 | 111.4 | P46 N47 A48 V53 I54 I68 A72 V291 L301 | P46-L50 WeakPolarHBondContact O-CB 3.47Å; P46-L50 PolarHBondContact O-N 3.43Å; N47-L50 PolarHBondContact O-N 3.25Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-L50 PolarHBondContact O-N 3.49Å; L50-V53 PolarHBondContact O-N 3.43Å; L50-I54 HydrophobicContact CD1-CD1 3.94Å; L50-I54 HydrophobicContact CD1-CG1 4.29Å; L50-I54 HydrophobicContact CG-CD1 3.87Å; L50-I54 VanDerWaalsContact O-CG1 3.32Å; L50-I54 WeakPolarHBondContact O-CG1 3.39Å; L50-I54 PolarHBondContact O-N 3.26Å; L50-I68 HydrophobicContact CD2-CG2 3.99Å; L50-A72 HydrophobicContact CD2-CB 4.14Å; L50-A72 HydrophobicContact CG-CB 4.46Å; L50-V291 HydrophobicContact CB-CG1 4.05Å; L50-V291 HydrophobicContact CD2-CB 4.47Å; L50-V291 HydrophobicContact CD2-CG1 4.24Å; L50-V291 HydrophobicContact CD2-CG2 4.01Å; L50-L301 HydrophobicContact CD1-CD1 4.08Å; L50-L301 HydrophobicContact CD1-CD2 4.16Å |
| 51 | L | 92.2 | Very high | 86.9 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 179.4 | -170.2 | 64.8 | 0 | 0 | 0 | 111.7 | N47 A48 L49 V53 I54 V55 A69 A73 | N47-L51 WeakPolarHBondContact O-CB 3.37Å; N47-L51 PolarHBondContact O-N 2.91Å; A48-L51 PolarHBondContact O-N 3.41Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.42Å; L51-V53 VanDerWaalsContact C-N 3.27Å; L51-V53 PolarHBondContact O-N 3.23Å; L51-I54 PolarHBondContact O-N 2.9Å; L51-V55 HydrophobicContact CD1-CG2 4.28Å; L51-V55 HydrophobicContact CG-CG2 4.43Å; L51-V55 WeakPolarHBondContact O-CB 3.49Å; L51-V55 WeakPolarHBondContact O-CG2 3.4Å; L51-V55 PolarHBondContact O-N 3.38Å; L51-A69 HydrophobicContact CD1-CB 4.13Å; L51-A73 HydrophobicContact CD2-CB 4.39Å |
| 52 | I | 91.5 | Very high | 86.4 | Confident | 91 Ų | 91 | 64.5 Ų | 64.5 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 175.2 | -69.1 | 163.9 | 0 | 0 | 0 | 110.6 | A48 L49 G56 L308 | A48-I52 VanDerWaalsContact O-CG1 3.23Å; A48-I52 WeakPolarHBondContact O-CG1 3.22Å; A48-I52 PolarHBondContact O-N 3.43Å; L49-I52 PolarHBondContact O-N 3.37Å; I52-G56 VanDerWaalsContact O-CA 3.27Å; I52-G56 WeakPolarHBondContact O-CA 3.32Å; I52-G56 PolarHBondContact O-N 3.44Å; I52-L308 HydrophobicContact CB-CD2 4.12Å; I52-L308 HydrophobicContact CG2-CD1 4.26Å; I52-L308 HydrophobicContact CG2-CD2 3.69Å |
| 53 | V | 89.1 | Confident | 86 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.2 | -45.5 | 178.1 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | L49 L50 L51 V55 Q57 L301 I305 L308 | L49-V53 WeakPolarHBondContact O-CG2 3.49Å; L49-V53 PolarHBondContact O-N 3.25Å; L50-V53 PolarHBondContact O-N 3.43Å; L51-V53 VanDerWaalsContact C-N 3.27Å; L51-V53 PolarHBondContact O-N 3.23Å; V53-V55 PolarHBondContact O-N 3.06Å; V53-Q57 HydrophobicContact CG1-CG 4.18Å; V53-Q57 VanDerWaalsContact O-CB 3.22Å; V53-Q57 WeakPolarHBondContact O-CB 3.47Å; V53-Q57 VanDerWaalsContact O-CG 3.31Å; V53-Q57 WeakPolarHBondContact O-CG 3.35Å; V53-Q57 PolarHBondContact O-N 3.22Å; V53-L301 HydrophobicContact CG1-CD2 4.17Å; V53-I305 HydrophobicContact CB-CG1 4.4Å; V53-I305 HydrophobicContact CG2-CG1 3.79Å; V53-L308 HydrophobicContact CG2-CB 4.42Å; V53-L308 HydrophobicContact CG2-CD2 4.09Å |
| 54 | I | 88.3 | Confident | 85.7 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | -179.4 | -66.9 | 166.2 | 0 | 0 | 0 | 111.2 | L50 L51 L59 I68 A69 L301 | L50-I54 HydrophobicContact CD1-CD1 3.94Å; L50-I54 HydrophobicContact CD1-CG1 4.29Å; L50-I54 HydrophobicContact CG-CD1 3.87Å; L50-I54 VanDerWaalsContact O-CG1 3.32Å; L50-I54 WeakPolarHBondContact O-CG1 3.39Å; L50-I54 PolarHBondContact O-N 3.26Å; L51-I54 PolarHBondContact O-N 2.9Å; I54-L59 HydrophobicContact CB-CD1 4.25Å; I54-L59 HydrophobicContact CG1-CD1 3.99Å; I54-L59 HydrophobicContact CG2-CD1 4.35Å; I54-I68 HydrophobicContact CD1-CB 4.39Å; I54-I68 HydrophobicContact CD1-CG2 3.78Å; I54-A69 HydrophobicContact CD1-CB 4.38Å; I54-A69 HydrophobicContact CG2-CB 4.07Å; I54-L301 HydrophobicContact CG1-CD2 3.82Å |
| 55 | V | 87.2 | Confident | 85.3 | Confident | 106 Ų | 106 | 58.5 Ų | 58.5 | 64% | 0.642 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -73.3 | -45.4 | -179.2 | 176.6 | 0 | 0 | 0 | 0 | 111 | L51 V53 | L51-V55 HydrophobicContact CD1-CG2 4.28Å; L51-V55 HydrophobicContact CG-CG2 4.43Å; L51-V55 WeakPolarHBondContact O-CB 3.49Å; L51-V55 WeakPolarHBondContact O-CG2 3.4Å; L51-V55 PolarHBondContact O-N 3.38Å; V53-V55 PolarHBondContact O-N 3.06Å |
| 56 | G | 82.9 | Confident | 85.1 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -76.3 | -29.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I52 R58 | I52-G56 VanDerWaalsContact O-CA 3.27Å; I52-G56 WeakPolarHBondContact O-CA 3.32Å; I52-G56 PolarHBondContact O-N 3.44Å; G56-R58 VanDerWaalsContact C-N 3.34Å; G56-R58 PolarHBondContact O-N 3.3Å |
| 57 | Q | 78.3 | Confident | 84.9 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 3.4 | -177.1 | -62.8 | -148.7 | -37.8 | 0 | 0 | 114.9 | V53 L59 | V53-Q57 HydrophobicContact CG1-CG 4.18Å; V53-Q57 VanDerWaalsContact O-CB 3.22Å; V53-Q57 WeakPolarHBondContact O-CB 3.47Å; V53-Q57 VanDerWaalsContact O-CG 3.31Å; V53-Q57 WeakPolarHBondContact O-CG 3.35Å; V53-Q57 PolarHBondContact O-N 3.22Å; Q57-L59 HydrophobicContact CB-CD2 4.4Å; Q57-L59 HydrophobicContact CB-CG 4.33Å; Q57-L59 PolarHBondContact O-N 2.86Å; Q57-L59 VanDerWaalsContact O-N 3.16Å |
| 58 | R | 70.8 | Confident | 84.7 | Confident | 234 Ų | 234 | 58.4 Ų | 58.4 | 88% | 0.883 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 44.3 | -175.4 | -60.8 | -174.4 | 179.6 | -179.9 | 0.6 | 111.5 | G56 | G56-R58 VanDerWaalsContact C-N 3.34Å; G56-R58 PolarHBondContact O-N 3.3Å |
| 59 | L | 75.4 | Confident | 84.6 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | trans | -49.6 | 149.2 | 177.8 | -71.2 | 176.7 | 0 | 0 | 0 | 110.2 | I54 Q57 R61 Y65 E300 L301 | I54-L59 HydrophobicContact CB-CD1 4.25Å; I54-L59 HydrophobicContact CG1-CD1 3.99Å; I54-L59 HydrophobicContact CG2-CD1 4.35Å; Q57-L59 HydrophobicContact CB-CD2 4.4Å; Q57-L59 HydrophobicContact CB-CG 4.33Å; Q57-L59 PolarHBondContact O-N 2.86Å; Q57-L59 VanDerWaalsContact O-N 3.16Å; L59-R61 PolarHBondContact O-N 3.44Å; L59-R61 VanDerWaalsContact O-N 3.14Å; L59-Y65 HydrophobicContact CB-CD2 4.19Å; L59-Y65 HydrophobicContact CB-CE2 4.25Å; L59-Y65 HydrophobicContact CD1-CD1 4.06Å; L59-Y65 HydrophobicContact CD1-CE1 4.03Å; L59-Y65 HydrophobicContact CD1-CG 4.38Å; L59-E300 HydrophobicContact CD2-CB 4.11Å; L59-L301 HydrophobicContact CD1-CD2 3.49Å; L59-L301 VanDerWaalsContact CD1-CD2 3.49Å | ||
| 60 | P | 70.6 | Confident | 84.5 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | trans | -56.5 | 128.1 | -175.9 | 21.8 | -31.1 | 0 | 0 | 0 | 108.9 | K62 Y65 | P60-K62 PolarHBondContact O-N 2.96Å; P60-Y65 HydrophobicContact CG-CE2 3.98Å; P60-Y65 WeakPolarHBondContact O-CD2 3.46Å | ||
| 61 | R | 76.5 | Confident | 84.5 | Confident | 208 Ų | 208 | 56.9 Ų | 56.9 | 79% | 0.785 | 28% | 0.283 | S | S | * | . | trans | -61.1 | 83.9 | -177.5 | -74.3 | -174 | 166.4 | 131.5 | -2.5 | 110.7 | L59 K145 F149 | L59-R61 PolarHBondContact O-N 3.44Å; L59-R61 VanDerWaalsContact O-N 3.14Å; R61-K145 WeakPolarHBondContact O-CE 3.25Å; R61-K145 PolarHBondContact O-NZ 3.4Å; R61-F149 HydrophobicContact CB-CZ 4.42Å; R61-F149 WeakPolarHBondContact O-CE2 3.27Å | ||
| 62 | K | 82.1 | Confident | 84.5 | Confident | 107 Ų | 107 | 54.7 Ų | 54.7 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | trans | -111.5 | 139.3 | 174.5 | -65.9 | 179.4 | -178.9 | 172.7 | 0 | 107.6 | P60 F64 Y65 F66 | P60-K62 PolarHBondContact O-N 2.96Å; K62-F64 PolarHBondContact O-N 3.15Å; K62-Y65 HydrophobicContact CB-CD2 4Å; K62-Y65 HydrophobicContact CD-CD2 4.43Å; K62-Y65 HydrophobicContact CD-CE2 4.19Å; K62-Y65 HydrophobicContact CG-CD2 4.49Å; K62-Y65 PolarHBondContact O-N 2.86Å; K62-Y65 VanDerWaalsContact O-N 3.11Å; K62-F66 PolarHBondContact O-N 2.93Å | ||
| 63 | P | 83.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -29.5 | -178.9 | 25 | -32.8 | 0 | 0 | 0 | 112 | Y65 F66 C67 M148 F149 V152 | P63-Y65 PolarHBondContact O-N 3.1Å; P63-F66 WeakPolarHBondContact O-CA 3.37Å; P63-F66 VanDerWaalsContact O-CB 3.32Å; P63-F66 WeakPolarHBondContact O-CB 3.29Å; P63-F66 PolarHBondContact O-N 3.34Å; P63-F66 VanDerWaalsContact O-N 3.08Å; P63-C67 PolarHBondContact O-N 3.23Å; P63-C67 PolarHBondContact O-SG 2.87Å; P63-M148 HydrophobicContact CB-CE 4.39Å; P63-M148 HydrophobicContact CB-CG 3.93Å; P63-M148 HydrophobicContact CG-CB 4.08Å; P63-M148 HydrophobicContact CG-CE 3.09Å; P63-M148 HydrophobicContact CG-CG 3.52Å; P63-M148 HydrophobicContact CG-SD 3.71Å; P63-F149 HydrophobicContact CB-CD1 4.16Å; P63-F149 HydrophobicContact CB-CE1 4.04Å; P63-F149 HydrophobicContact CB-CG 4.46Å; P63-F149 HydrophobicContact CB-CZ 4.23Å; P63-V152 HydrophobicContact CB-CG2 4.17Å |
| 64 | F | 83.6 | Confident | 84.8 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -50.6 | -51.1 | 169.2 | 179.5 | -125.1 | 0 | 0 | 0 | 114.1 | K62 F66 C67 I68 R133 I242 L246 Y294 | K62-F64 PolarHBondContact O-N 3.15Å; F64-F66 PolarHBondContact O-N 3.15Å; F64-C67 PolarHBondContact O-N 3.28Å; F64-I68 HydrophobicContact CD1-CD1 3.79Å; F64-I68 HydrophobicContact CD2-CD1 4.04Å; F64-I68 HydrophobicContact CD2-CG1 4.37Å; F64-I68 HydrophobicContact CE1-CD1 3.49Å; F64-I68 VanDerWaalsContact CE1-CD1 3.49Å; F64-I68 HydrophobicContact CE2-CD1 3.79Å; F64-I68 HydrophobicContact CE2-CG1 4.23Å; F64-I68 HydrophobicContact CG-CD1 4.1Å; F64-I68 HydrophobicContact CZ-CD1 3.54Å; F64-I68 HydrophobicContact CZ-CG1 4.43Å; F64-I68 WeakPolarHBondContact O-CG1 3.27Å; F64-I68 PolarHBondContact O-N 2.9Å; F64-R133 VanDerWaalsContact CD2-CZ 3.49Å; F64-R133 VanDerWaalsContact CE2-CZ 3.48Å; F64-R133 VanDerWaalsContact CE2-NH2 3.3Å; F64-I242 HydrophobicContact CZ-CG2 4.11Å; F64-L246 HydrophobicContact CE2-CD1 3.92Å; F64-L246 HydrophobicContact CZ-CD1 4.24Å; F64-Y294 AromaticContact CE2-CE1 3.85Å; F64-Y294 HydrophobicContact CE2-CE1 3.85Å; F64-Y294 HydrophobicContact CZ-CD1 4.18Å; F64-Y294 AromaticContact CZ-CE1 3.59Å; F64-Y294 HydrophobicContact CZ-CE1 3.59Å |
| 65 | Y | 86.9 | Confident | 85 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -28.4 | 179.2 | -70.8 | -54.3 | 0 | 0 | 0 | 112.2 | L59 P60 K62 P63 I68 A69 E300 L301 | L59-Y65 HydrophobicContact CB-CD2 4.19Å; L59-Y65 HydrophobicContact CB-CE2 4.25Å; L59-Y65 HydrophobicContact CD1-CD1 4.06Å; L59-Y65 HydrophobicContact CD1-CE1 4.03Å; L59-Y65 HydrophobicContact CD1-CG 4.38Å; P60-Y65 HydrophobicContact CG-CE2 3.98Å; P60-Y65 WeakPolarHBondContact O-CD2 3.46Å; K62-Y65 HydrophobicContact CB-CD2 4Å; K62-Y65 HydrophobicContact CD-CD2 4.43Å; K62-Y65 HydrophobicContact CD-CE2 4.19Å; K62-Y65 HydrophobicContact CG-CD2 4.49Å; K62-Y65 PolarHBondContact O-N 2.86Å; K62-Y65 VanDerWaalsContact O-N 3.11Å; P63-Y65 PolarHBondContact O-N 3.1Å; Y65-I68 HydrophobicContact CD1-CD1 4.3Å; Y65-A69 VanDerWaalsContact O-CB 3.25Å; Y65-A69 WeakPolarHBondContact O-CB 3.29Å; Y65-A69 PolarHBondContact O-N 3Å; Y65-E300 PolarHBondContact OH-OE2 3.42Å; Y65-L301 HydrophobicContact CE1-CD1 4.35Å; Y65-L301 HydrophobicContact CE1-CD2 4.33Å; Y65-L301 HydrophobicContact CE1-CG 4.3Å |
| 66 | F | 87.6 | Confident | 85.4 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 41% | 0.408 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.9 | -41.5 | 174.3 | -168.4 | -109.6 | 0 | 0 | 0 | 111.7 | K62 P63 F64 A69 A70 F149 V152 L156 | K62-F66 PolarHBondContact O-N 2.93Å; P63-F66 WeakPolarHBondContact O-CA 3.37Å; P63-F66 VanDerWaalsContact O-CB 3.32Å; P63-F66 WeakPolarHBondContact O-CB 3.29Å; P63-F66 PolarHBondContact O-N 3.34Å; P63-F66 VanDerWaalsContact O-N 3.08Å; F64-F66 PolarHBondContact O-N 3.15Å; F66-A69 PolarHBondContact O-N 3.05Å; F66-A70 WeakPolarHBondContact O-CB 3.41Å; F66-A70 PolarHBondContact O-N 3.16Å; F66-F149 HydrophobicContact CB-CE1 4.5Å; F66-V152 HydrophobicContact CD1-CG1 3.63Å; F66-V152 HydrophobicContact CE1-CG1 4.14Å; F66-L156 HydrophobicContact CD1-CD1 3.77Å; F66-L156 HydrophobicContact CE1-CD1 3.21Å; F66-L156 HydrophobicContact CZ-CD1 4.13Å |
| 67 | C | 88.3 | Confident | 86 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | P63 F64 A70 F71 L128 I129 | P63-C67 PolarHBondContact O-N 3.23Å; P63-C67 PolarHBondContact O-SG 2.87Å; F64-C67 PolarHBondContact O-N 3.28Å; C67-A70 PolarHBondContact O-N 3.31Å; C67-F71 PolarHBondContact O-N 3.32Å; C67-L128 HydrophobicContact CB-CD2 4.47Å; C67-L128 HydrophobicContact CB-CG 4.46Å; C67-I129 HydrophobicContact CB-CG1 3.75Å |
| 68 | I | 88.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 175.3 | -62.9 | 165.3 | 0 | 0 | 0 | 111.1 | L50 I54 F64 Y65 A70 F71 A72 F290 Y294 | L50-I68 HydrophobicContact CD2-CG2 3.99Å; I54-I68 HydrophobicContact CD1-CB 4.39Å; I54-I68 HydrophobicContact CD1-CG2 3.78Å; F64-I68 HydrophobicContact CD1-CD1 3.79Å; F64-I68 HydrophobicContact CD2-CD1 4.04Å; F64-I68 HydrophobicContact CD2-CG1 4.37Å; F64-I68 HydrophobicContact CE1-CD1 3.49Å; F64-I68 VanDerWaalsContact CE1-CD1 3.49Å; F64-I68 HydrophobicContact CE2-CD1 3.79Å; F64-I68 HydrophobicContact CE2-CG1 4.23Å; F64-I68 HydrophobicContact CG-CD1 4.1Å; F64-I68 HydrophobicContact CZ-CD1 3.54Å; F64-I68 HydrophobicContact CZ-CG1 4.43Å; F64-I68 WeakPolarHBondContact O-CG1 3.27Å; F64-I68 PolarHBondContact O-N 2.9Å; Y65-I68 HydrophobicContact CD1-CD1 4.3Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 3.17Å; I68-F71 PolarHBondContact O-N 3.2Å; I68-A72 WeakPolarHBondContact O-CB 3.29Å; I68-A72 PolarHBondContact O-N 2.87Å; I68-F290 HydrophobicContact CG2-CE1 4.25Å; I68-Y294 HydrophobicContact CD1-CD1 3.54Å; I68-Y294 HydrophobicContact CD1-CE1 3.43Å; I68-Y294 VanDerWaalsContact CD1-CE1 3.43Å; I68-Y294 HydrophobicContact CG1-CD1 4.02Å; I68-Y294 HydrophobicContact CG1-CE1 3.59Å |
| 69 | A | 90.6 | Very high | 87.8 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 13% | 0.132 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L51 I54 Y65 F66 A72 A73 | L51-A69 HydrophobicContact CD1-CB 4.13Å; I54-A69 HydrophobicContact CD1-CB 4.38Å; I54-A69 HydrophobicContact CG2-CB 4.07Å; Y65-A69 VanDerWaalsContact O-CB 3.25Å; Y65-A69 WeakPolarHBondContact O-CB 3.29Å; Y65-A69 PolarHBondContact O-N 3Å; F66-A69 PolarHBondContact O-N 3.05Å; A69-A72 PolarHBondContact O-N 3.47Å; A69-A73 VanDerWaalsContact O-CB 3.28Å; A69-A73 WeakPolarHBondContact O-CB 3.46Å; A69-A73 PolarHBondContact O-N 3.15Å |
| 70 | A | 90.9 | Very high | 88.8 | Confident | 24 Ų | 24 | 35.4 Ų | 35.4 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F66 C67 I68 A73 S74 T125 L156 | F66-A70 WeakPolarHBondContact O-CB 3.41Å; F66-A70 PolarHBondContact O-N 3.16Å; C67-A70 PolarHBondContact O-N 3.31Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 3.17Å; A70-A73 PolarHBondContact O-N 2.85Å; A70-S74 PolarHBondContact O-N 3.04Å; A70-T125 HydrophobicContact CB-CG2 3.84Å; A70-L156 HydrophobicContact CB-CD2 4.38Å |
| 71 | F | 89.9 | Confident | 90 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.044 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | 175.4 | -175.2 | -91.2 | 0 | 0 | 0 | 112.4 | C67 I68 A73 S74 N75 T125 I129 F290 | C67-F71 PolarHBondContact O-N 3.32Å; I68-F71 PolarHBondContact O-N 3.2Å; F71-A73 VanDerWaalsContact C-N 3.33Å; F71-A73 PolarHBondContact O-N 3.45Å; F71-S74 PolarHBondContact O-N 3.1Å; F71-S74 PolarHBondContact O-OG 3.32Å; F71-N75 VanDerWaalsContact CD1-ND2 3.27Å; F71-N75 WeakPolarHBondContact CD1-ND2 3.42Å; F71-N75 WeakPolarHBondContact CE1-ND2 3.21Å; F71-N75 PolarHBondContact O-N 2.87Å; F71-N75 PolarHBondContact O-ND2 2.81Å; F71-T125 WeakPolarHBondContact CD2-OG1 3.27Å; F71-I129 HydrophobicContact CB-CD1 3.91Å; F71-I129 HydrophobicContact CD2-CD1 4.3Å; F71-I129 HydrophobicContact CG-CD1 4.12Å; F71-F290 HydrophobicContact CB-CZ 4.31Å; F71-F290 AromaticContact CD1-CD1 3.63Å; F71-F290 HydrophobicContact CD1-CD1 3.63Å; F71-F290 AromaticContact CD1-CD2 3.76Å; F71-F290 HydrophobicContact CD1-CD2 3.76Å; F71-F290 AromaticContact CD1-CE1 3.29Å; F71-F290 HydrophobicContact CD1-CE1 3.29Å; F71-F290 AromaticContact CD1-CE2 3.43Å; F71-F290 HydrophobicContact CD1-CE2 3.43Å; F71-F290 VanDerWaalsContact CD1-CE2 3.43Å; F71-F290 AromaticContact CD1-CG 3.89Å; F71-F290 HydrophobicContact CD1-CG 3.89Å; F71-F290 AromaticContact CD1-CZ 3.2Å; F71-F290 HydrophobicContact CD1-CZ 3.2Å; F71-F290 HydrophobicContact CD2-CE2 4.46Å; F71-F290 HydrophobicContact CE1-CB 4.01Å; F71-F290 AromaticContact CE1-CD1 3.5Å; F71-F290 HydrophobicContact CE1-CD1 3.5Å; F71-F290 VanDerWaalsContact CE1-CD1 3.5Å; F71-F290 AromaticContact CE1-CD2 3.16Å; F71-F290 HydrophobicContact CE1-CD2 3.16Å; F71-F290 AromaticContact CE1-CE1 3.66Å; F71-F290 HydrophobicContact CE1-CE1 3.66Å; F71-F290 AromaticContact CE1-CE2 3.33Å; F71-F290 HydrophobicContact CE1-CE2 3.33Å; F71-F290 AromaticContact CE1-CG 3.29Å; F71-F290 HydrophobicContact CE1-CG 3.29Å; F71-F290 AromaticContact CE1-CZ 3.59Å; F71-F290 HydrophobicContact CE1-CZ 3.59Å; F71-F290 HydrophobicContact CE2-CE2 4.42Å; F71-F290 HydrophobicContact CG-CE1 4.27Å; F71-F290 HydrophobicContact CG-CE2 4.02Å; F71-F290 AromaticContact CG-CZ 3.82Å; F71-F290 HydrophobicContact CG-CZ 3.82Å; F71-F290 AromaticContact CZ-CD2 3.68Å; F71-F290 HydrophobicContact CZ-CD2 3.68Å; F71-F290 AromaticContact CZ-CE2 3.89Å; F71-F290 HydrophobicContact CZ-CE2 3.89Å; F71-F290 HydrophobicContact CZ-CG 4.16Å; F71-F290 HydrophobicContact CZ-CZ 4.5Å |
| 72 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N47 L50 I68 A69 N75 V76 | N47-A72 HydrophobicContact CB-CB 4.41Å; L50-A72 HydrophobicContact CD2-CB 4.14Å; L50-A72 HydrophobicContact CG-CB 4.46Å; I68-A72 WeakPolarHBondContact O-CB 3.29Å; I68-A72 PolarHBondContact O-N 2.87Å; A69-A72 PolarHBondContact O-N 3.47Å; A72-N75 PolarHBondContact O-N 2.69Å; A72-V76 VanDerWaalsContact O-CG2 3.32Å; A72-V76 WeakPolarHBondContact O-CG2 3.39Å; A72-V76 PolarHBondContact O-N 3.49Å |
| 73 | A | 93.7 | Very high | 91.4 | Very high | 41 Ų | 41 | 19.8 Ų | 19.8 | 34% | 0.339 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -65.7 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L51 A69 A70 F71 V76 L77 | L51-A73 HydrophobicContact CD2-CB 4.39Å; A69-A73 VanDerWaalsContact O-CB 3.28Å; A69-A73 WeakPolarHBondContact O-CB 3.46Å; A69-A73 PolarHBondContact O-N 3.15Å; A70-A73 PolarHBondContact O-N 2.85Å; F71-A73 VanDerWaalsContact C-N 3.33Å; F71-A73 PolarHBondContact O-N 3.45Å; A73-V76 PolarHBondContact O-N 2.86Å; A73-L77 WeakPolarHBondContact O-CB 3.5Å; A73-L77 PolarHBondContact O-N 3.32Å |
| 74 | S | 92.9 | Very high | 92 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 175.8 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | A70 F71 L77 S78 N122 | A70-S74 PolarHBondContact O-N 3.04Å; F71-S74 PolarHBondContact O-N 3.1Å; F71-S74 PolarHBondContact O-OG 3.32Å; S74-L77 PolarHBondContact O-N 2.88Å; S74-S78 WeakPolarHBondContact O-CB 3.18Å; S74-S78 PolarHBondContact O-N 3.43Å; S74-S78 PolarHBondContact O-OG 3.49Å; S74-N122 WeakPolarHBondContact CB-OD1 3.47Å; S74-N122 PolarHBondContact OG-OD1 3.32Å |
| 75 | N | 92.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67 | -38.5 | 173.7 | -68.7 | -30.3 | 0 | 0 | 0 | 113.1 | N47 F71 A72 L77 S78 G79 N122 V287 | N47-N75 HydrophobicContact CB-CB 3.98Å; N47-N75 VanDerWaalsContact CG-CB 3.41Å; N47-N75 PolarHBondContact OD1-ND2 3.37Å; N47-N75 VanDerWaalsContact OD1-ND2 3.11Å; F71-N75 VanDerWaalsContact CD1-ND2 3.27Å; F71-N75 WeakPolarHBondContact CD1-ND2 3.42Å; F71-N75 WeakPolarHBondContact CE1-ND2 3.21Å; F71-N75 PolarHBondContact O-N 2.87Å; F71-N75 PolarHBondContact O-ND2 2.81Å; A72-N75 PolarHBondContact O-N 2.69Å; N75-L77 VanDerWaalsContact C-N 3.32Å; N75-S78 PolarHBondContact O-N 3.25Å; N75-G79 PolarHBondContact O-N 2.94Å; N75-N122 PolarHBondContact OD1-OD1 3.03Å; N75-V287 HydrophobicContact CB-CG1 3.91Å |
| 76 | V | 95.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 21.6 Ų | 21.6 | 13% | 0.133 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 172.7 | 162 | 0 | 0 | 0 | 0 | 110.1 | L44 N47 A48 A72 A73 S78 G79 I80 | L44-V76 HydrophobicContact CD1-CB 4.32Å; L44-V76 HydrophobicContact CD1-CG1 3.71Å; L44-V76 HydrophobicContact CD1-CG2 4.34Å; N47-V76 HydrophobicContact CB-CG2 3.73Å; A48-V76 HydrophobicContact CB-CG2 4.02Å; A72-V76 VanDerWaalsContact O-CG2 3.32Å; A72-V76 WeakPolarHBondContact O-CG2 3.39Å; A72-V76 PolarHBondContact O-N 3.49Å; A73-V76 PolarHBondContact O-N 2.86Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-S78 PolarHBondContact O-N 2.98Å; V76-G79 PolarHBondContact O-N 3Å; V76-I80 HydrophobicContact CG1-CD1 3.98Å; V76-I80 WeakPolarHBondContact O-CG1 3.35Å; V76-I80 PolarHBondContact O-N 3.2Å |
| 77 | L | 95.4 | Very high | 92.9 | Very high | 55 Ų | 55 | 20.8 Ų | 20.8 | 29% | 0.288 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 178.9 | -173.3 | 63.2 | 0 | 0 | 0 | 111.5 | A73 S74 N75 I80 A81 I114 I117 C118 L121 | A73-L77 WeakPolarHBondContact O-CB 3.5Å; A73-L77 PolarHBondContact O-N 3.32Å; S74-L77 PolarHBondContact O-N 2.88Å; N75-L77 VanDerWaalsContact C-N 3.32Å; L77-I80 PolarHBondContact O-N 2.89Å; L77-A81 PolarHBondContact O-N 3.31Å; L77-I114 HydrophobicContact CD1-CG2 3.78Å; L77-I114 HydrophobicContact CD2-CG2 4.12Å; L77-I114 HydrophobicContact CG-CG2 3.55Å; L77-I117 HydrophobicContact CD2-CG2 4.26Å; L77-C118 VanDerWaalsContact CG-SG 3.54Å; L77-L121 HydrophobicContact CD2-CD1 4.42Å |
| 78 | S | 93.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 172.9 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | S74 N75 V76 I80 A81 F82 C118 N122 | S74-S78 WeakPolarHBondContact O-CB 3.18Å; S74-S78 PolarHBondContact O-N 3.43Å; S74-S78 PolarHBondContact O-OG 3.49Å; N75-S78 PolarHBondContact O-N 3.25Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-S78 PolarHBondContact O-N 2.98Å; S78-I80 VanDerWaalsContact C-N 3.31Å; S78-I80 PolarHBondContact O-N 3.47Å; S78-A81 WeakPolarHBondContact O-CB 3.5Å; S78-A81 PolarHBondContact O-N 2.84Å; S78-F82 WeakPolarHBondContact O-CD2 3.19Å; S78-F82 PolarHBondContact O-N 3.37Å; S78-C118 PolarHBondContact N-SG 3.2Å; S78-C118 VanDerWaalsContact N-SG 3.35Å; S78-C118 WeakPolarHBondContact OG-CB 3Å; S78-C118 PolarHBondContact OG-SG 3.05Å; S78-N122 PolarHBondContact OG-ND2 3.32Å; S78-N122 VanDerWaalsContact OG-ND2 3.08Å |
| 79 | G | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.9 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G40 N75 V76 F82 I83 | G40-G79 WeakPolarHBondContact CA-O 3.18Å; G40-G79 WeakPolarHBondContact O-CA 3.39Å; N75-G79 PolarHBondContact O-N 2.94Å; V76-G79 PolarHBondContact O-N 3Å; G79-F82 PolarHBondContact O-N 3.34Å; G79-I83 VanDerWaalsContact O-CG1 3.31Å; G79-I83 WeakPolarHBondContact O-CG1 3.28Å; G79-I83 PolarHBondContact O-N 3.11Å; G79-I83 VanDerWaalsContact O-N 3.07Å |
| 80 | I | 96 | Very high | 93.4 | Very high | 66 Ų | 66 | 27 Ų | 27 | 34% | 0.338 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 173.3 | -68.1 | 165.9 | 0 | 0 | 0 | 110.9 | L44 V76 L77 S78 F82 I83 L84 | L44-I80 HydrophobicContact CD1-CD1 4.46Å; L44-I80 HydrophobicContact CD1-CG1 4.06Å; V76-I80 HydrophobicContact CG1-CD1 3.98Å; V76-I80 WeakPolarHBondContact O-CG1 3.35Å; V76-I80 PolarHBondContact O-N 3.2Å; L77-I80 PolarHBondContact O-N 2.89Å; S78-I80 VanDerWaalsContact C-N 3.31Å; S78-I80 PolarHBondContact O-N 3.47Å; I80-F82 PolarHBondContact O-N 3.47Å; I80-I83 PolarHBondContact O-N 3.45Å; I80-L84 HydrophobicContact CG2-CD1 3.74Å; I80-L84 HydrophobicContact CG2-CG 4.14Å; I80-L84 WeakPolarHBondContact O-CB 3.31Å; I80-L84 VanDerWaalsContact O-CG 3.28Å; I80-L84 WeakPolarHBondContact O-CG 3.38Å; I80-L84 PolarHBondContact O-N 3.37Å |
| 81 | A | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L77 S78 L84 S85 H111 I114 F115 | L77-A81 PolarHBondContact O-N 3.31Å; S78-A81 WeakPolarHBondContact O-CB 3.5Å; S78-A81 PolarHBondContact O-N 2.84Å; A81-L84 PolarHBondContact O-N 2.81Å; A81-S85 WeakPolarHBondContact O-CB 3.26Å; A81-S85 PolarHBondContact O-N 3.47Å; A81-H111 HydrophobicContact CB-CB 4.34Å; A81-H111 WeakPolarHBondContact O-CB 3.31Å; A81-I114 HydrophobicContact CB-CB 3.96Å; A81-I114 HydrophobicContact CB-CG2 3.65Å; A81-F115 HydrophobicContact CB-CD1 3.87Å; A81-F115 HydrophobicContact CB-CE1 3.66Å; A81-F115 HydrophobicContact CB-CZ 4.27Å |
| 82 | F | 93.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 176.8 | -80.9 | -72.8 | 0 | 0 | 0 | 112.9 | N36 Y39 S78 G79 I80 S85 A86 F115 W280 | N36-F82 HydrophobicContact CB-CD1 4.13Å; N36-F82 WeakPolarHBondContact O-CB 3.31Å; Y39-F82 HydrophobicContact CD1-CB 4.12Å; Y39-F82 HydrophobicContact CD1-CD1 4.18Å; Y39-F82 AromaticContact CD1-CD2 3.11Å; Y39-F82 HydrophobicContact CD1-CD2 3.11Å; Y39-F82 HydrophobicContact CD1-CE1 4.46Å; Y39-F82 AromaticContact CD1-CE2 3.47Å; Y39-F82 HydrophobicContact CD1-CE2 3.47Å; Y39-F82 VanDerWaalsContact CD1-CE2 3.47Å; Y39-F82 AromaticContact CD1-CG 3.54Å; Y39-F82 HydrophobicContact CD1-CG 3.54Å; Y39-F82 HydrophobicContact CD1-CZ 4.16Å; Y39-F82 AromaticContact CE1-CD2 3.16Å; Y39-F82 HydrophobicContact CE1-CD2 3.16Å; Y39-F82 AromaticContact CE1-CE2 3.13Å; Y39-F82 HydrophobicContact CE1-CE2 3.13Å; Y39-F82 HydrophobicContact CE1-CG 4.07Å; Y39-F82 HydrophobicContact CE1-CZ 4.02Å; Y39-F82 HydrophobicContact CG-CD2 4.15Å; Y39-F82 HydrophobicContact CG-CE2 4.34Å; Y39-F82 HydrophobicContact CG-CG 4.29Å; Y39-F82 AromaticContact CZ-CE2 3.73Å; S78-F82 WeakPolarHBondContact O-CD2 3.19Å; S78-F82 PolarHBondContact O-N 3.37Å; G79-F82 PolarHBondContact O-N 3.34Å; I80-F82 PolarHBondContact O-N 3.47Å; F82-S85 PolarHBondContact O-N 3.17Å; F82-A86 WeakPolarHBondContact O-CB 3.33Å; F82-A86 PolarHBondContact O-N 3.41Å; F82-F115 HydrophobicContact CD1-CE1 4.04Å; F82-F115 HydrophobicContact CD1-CZ 4.16Å; F82-F115 HydrophobicContact CD2-CE1 4.02Å; F82-F115 AromaticContact CE1-CE1 3.89Å; F82-F115 HydrophobicContact CE1-CE1 3.89Å; F82-F115 HydrophobicContact CE1-CZ 4.17Å; F82-F115 AromaticContact CE2-CE1 3.87Å; F82-F115 HydrophobicContact CE2-CE1 3.87Å; F82-F115 HydrophobicContact CG-CE1 4.08Å; F82-F115 HydrophobicContact CG-CZ 4.47Å; F82-F115 HydrophobicContact CZ-CD1 4.49Å; F82-F115 AromaticContact CZ-CE1 3.78Å; F82-F115 HydrophobicContact CZ-CE1 3.78Å; F82-F115 HydrophobicContact CZ-CZ 4.5Å; F82-W280 HydrophobicContact CE1-CH2 4.38Å; F82-W280 AromaticContact CE1-CZ3 3.96Å; F82-W280 HydrophobicContact CE1-CZ3 3.96Å; F82-W280 HydrophobicContact CZ-CH2 4.13Å; F82-W280 AromaticContact CZ-CZ3 3.58Å; F82-W280 HydrophobicContact CZ-CZ3 3.58Å |
| 83 | I | 94.9 | Very high | 93.2 | Very high | 33 Ų | 33 | 36.2 Ų | 36.2 | 17% | 0.169 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 175.8 | -67.5 | 166.4 | 0 | 0 | 0 | 110.5 | F41 L44 G79 I80 S85 A86 C87 | F41-I83 HydrophobicContact CD1-CD1 4.29Å; F41-I83 HydrophobicContact CE1-CD1 4.29Å; F41-I83 HydrophobicContact CG-CD1 4.46Å; F41-I83 HydrophobicContact CZ-CD1 4.44Å; L44-I83 HydrophobicContact CD2-CD1 3.68Å; G79-I83 VanDerWaalsContact O-CG1 3.31Å; G79-I83 WeakPolarHBondContact O-CG1 3.28Å; G79-I83 PolarHBondContact O-N 3.11Å; G79-I83 VanDerWaalsContact O-N 3.07Å; I80-I83 PolarHBondContact O-N 3.45Å; I83-S85 VanDerWaalsContact C-N 3.28Å; I83-S85 PolarHBondContact O-N 2.94Å; I83-A86 PolarHBondContact O-N 2.99Å; I83-C87 WeakPolarHBondContact O-CB 3.47Å; I83-C87 PolarHBondContact O-N 3.13Å; I83-C87 PolarHBondContact O-SG 2.99Å |
| 84 | L | 94.8 | Very high | 93 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 36% | 0.356 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.7 | -36.5 | 178.2 | -72.5 | 176.4 | 0 | 0 | 0 | 112.1 | I80 A81 R88 I110 H111 I114 | I80-L84 HydrophobicContact CG2-CD1 3.74Å; I80-L84 HydrophobicContact CG2-CG 4.14Å; I80-L84 WeakPolarHBondContact O-CB 3.31Å; I80-L84 VanDerWaalsContact O-CG 3.28Å; I80-L84 WeakPolarHBondContact O-CG 3.38Å; I80-L84 PolarHBondContact O-N 3.37Å; A81-L84 PolarHBondContact O-N 2.81Å; L84-R88 WeakPolarHBondContact O-CB 3.38Å; L84-R88 PolarHBondContact O-N 3.12Å; L84-I110 HydrophobicContact CD1-CG2 3.93Å; L84-H111 HydrophobicContact CB-CB 4.14Å; L84-I114 HydrophobicContact CD1-CD1 4.37Å |
| 85 | S | 93.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -51 | 174.7 | -165.1 | 0 | 0 | 0 | 0 | 111.3 | A81 F82 I83 C87 R88 R89 H111 | A81-S85 WeakPolarHBondContact O-CB 3.26Å; A81-S85 PolarHBondContact O-N 3.47Å; F82-S85 PolarHBondContact O-N 3.17Å; I83-S85 VanDerWaalsContact C-N 3.28Å; I83-S85 PolarHBondContact O-N 2.94Å; S85-C87 PolarHBondContact O-N 3.22Å; S85-R88 PolarHBondContact O-N 3.44Å; S85-R89 WeakPolarHBondContact O-CG 3.33Å; S85-R89 PolarHBondContact O-N 3.12Å; S85-H111 PolarHBondContact OG-CD2 2.97Å; S85-H111 PolarHBondContact OG-NE2 3.29Å |
| 86 | A | 92.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A37 F82 I83 R88 R89 F90 | A37-A86 HydrophobicContact CB-CB 3.8Å; F82-A86 WeakPolarHBondContact O-CB 3.33Å; F82-A86 PolarHBondContact O-N 3.41Å; I83-A86 PolarHBondContact O-N 2.99Å; A86-R88 VanDerWaalsContact C-N 3.32Å; A86-R88 PolarHBondContact O-N 3.07Å; A86-R89 PolarHBondContact O-N 2.74Å; A86-R89 VanDerWaalsContact O-N 3.14Å; A86-F90 HydrophobicContact CB-CD2 4.34Å; A86-F90 HydrophobicContact CB-CE2 4.1Å; A86-F90 WeakPolarHBondContact O-CD2 3.3Å; A86-F90 PolarHBondContact O-N 2.91Å |
| 87 | C | 93 | Very high | 92.1 | Very high | 76 Ų | 76 | 55.6 Ų | 55.6 | 51% | 0.514 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 176.7 | -73.9 | 0 | 0 | 0 | 0 | 112.3 | I83 S85 Y91 | I83-C87 WeakPolarHBondContact O-CB 3.47Å; I83-C87 PolarHBondContact O-N 3.13Å; I83-C87 PolarHBondContact O-SG 2.99Å; S85-C87 PolarHBondContact O-N 3.22Å; C87-Y91 WeakPolarHBondContact O-CB 3.5Å; C87-Y91 PolarHBondContact O-N 2.97Å |
| 88 | R | 93.3 | Very high | 92 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 176 | -177.6 | -173.4 | 175.7 | 83 | 2.5 | 110.9 | L84 S85 A86 Y91 L92 Q108 A183 | L84-R88 WeakPolarHBondContact O-CB 3.38Å; L84-R88 PolarHBondContact O-N 3.12Å; S85-R88 PolarHBondContact O-N 3.44Å; A86-R88 VanDerWaalsContact C-N 3.32Å; A86-R88 PolarHBondContact O-N 3.07Å; R88-Y91 WeakPolarHBondContact O-CB 3.37Å; R88-Y91 PolarHBondContact O-N 3.32Å; R88-L92 HydrophobicContact CG-CD1 3.91Å; R88-L92 HydrophobicContact CG-CG 4.41Å; R88-L92 WeakPolarHBondContact O-CG 2.96Å; R88-L92 PolarHBondContact O-N 3.44Å; R88-Q108 PolarHBondContact NH1-O 3.24Å; R88-A183 PolarHBondContact NH2-O 3.46Å |
| 89 | R | 91.7 | Very high | 92 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -45.6 | -177.4 | -67.2 | 178.5 | -175.4 | 161.5 | 4 | 111.7 | D33 N36 S85 A86 Y91 L92 Y93 V184 | D33-R89 WeakPolarHBondContact OD1-CD 3.43Å; D33-R89 IonicContact OD1-CZ 3.17Å; D33-R89 IonicContact OD1-NE 3.58Å; D33-R89 IonicContact OD1-NH1 2.85Å; D33-R89 PolarHBondContact OD1-NH1 3.35Å; D33-R89 VanDerWaalsContact OD2-CB 3.23Å; D33-R89 WeakPolarHBondContact OD2-CB 3.48Å; D33-R89 WeakPolarHBondContact OD2-CD 3.39Å; N36-R89 PolarHBondContact ND2-NH1 3.13Å; N36-R89 VanDerWaalsContact ND2-NH1 3.14Å; S85-R89 WeakPolarHBondContact O-CG 3.33Å; S85-R89 PolarHBondContact O-N 3.12Å; A86-R89 PolarHBondContact O-N 2.74Å; A86-R89 VanDerWaalsContact O-N 3.14Å; R89-Y91 VanDerWaalsContact C-N 3.31Å; R89-Y91 PolarHBondContact O-N 3.47Å; R89-L92 PolarHBondContact O-N 3.36Å; R89-L92 VanDerWaalsContact O-N 3.11Å; R89-Y93 VanDerWaalsContact O-CG 3.32Å; R89-Y93 PolarHBondContact O-N 3.23Å; R89-V184 HydrophobicContact CG-CG1 4.26Å |
| 90 | F | 91.6 | Very high | 92 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 173.3 | -71.5 | -54.3 | 0 | 0 | 0 | 112.7 | D33 M34 A86 Y93 | D33-F90 HydrophobicContact CB-CE1 4.42Å; D33-F90 HydrophobicContact CB-CZ 4.09Å; M34-F90 HydrophobicContact CG-CE1 4.44Å; M34-F90 HydrophobicContact CG-CZ 3.84Å; A86-F90 HydrophobicContact CB-CD2 4.34Å; A86-F90 HydrophobicContact CB-CE2 4.1Å; A86-F90 WeakPolarHBondContact O-CD2 3.3Å; A86-F90 PolarHBondContact O-N 2.91Å; F90-Y93 AromaticContact CD1-CD2 4Å; F90-Y93 HydrophobicContact CD1-CD2 4Å; F90-Y93 HydrophobicContact CD1-CE2 4.16Å; F90-Y93 HydrophobicContact CE1-CE2 4.44Å; F90-Y93 PolarHBondContact O-N 3.36Å |
| 91 | Y | 91.6 | Very high | 92 | Very high | 123 Ų | 123 | 60.4 Ų | 60.4 | 48% | 0.482 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.4 | 173.1 | -100.9 | 0 | 0 | 0 | 111.8 | C87 R88 R89 Y93 T94 R95 | C87-Y91 WeakPolarHBondContact O-CB 3.5Å; C87-Y91 PolarHBondContact O-N 2.97Å; R88-Y91 WeakPolarHBondContact O-CB 3.37Å; R88-Y91 PolarHBondContact O-N 3.32Å; R89-Y91 VanDerWaalsContact C-N 3.31Å; R89-Y91 PolarHBondContact O-N 3.47Å; Y91-Y93 VanDerWaalsContact C-N 3.33Å; Y91-Y93 PolarHBondContact O-N 2.88Å; Y91-T94 PolarHBondContact O-N 3.16Å; Y91-T94 VanDerWaalsContact O-N 3.15Å; Y91-T94 PolarHBondContact O-OG1 2.98Å; Y91-R95 PolarHBondContact OH-NH2 3.03Å |
| 92 | L | 91.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.7 | -27 | -179 | -70.2 | 172.2 | 0 | 0 | 0 | 113.5 | R88 R89 T94 R95 Y98 A183 | R88-L92 HydrophobicContact CG-CD1 3.91Å; R88-L92 HydrophobicContact CG-CG 4.41Å; R88-L92 WeakPolarHBondContact O-CG 2.96Å; R88-L92 PolarHBondContact O-N 3.44Å; R89-L92 PolarHBondContact O-N 3.36Å; R89-L92 VanDerWaalsContact O-N 3.11Å; L92-T94 PolarHBondContact O-N 2.93Å; L92-T94 VanDerWaalsContact O-N 3.16Å; L92-R95 PolarHBondContact O-N 2.8Å; L92-Y98 HydrophobicContact CD2-CE1 3.84Å; L92-Y98 WeakPolarHBondContact CD2-OH 3.36Å; L92-A183 WeakPolarHBondContact CD1-O 3.43Å |
| 93 | Y | 86.8 | Confident | 92.2 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -20.7 | 171.5 | -64.7 | -26.2 | 0 | 0 | 0 | 113.5 | G29 T30 D33 R89 F90 Y91 R95 | G29-Y93 VanDerWaalsContact C-OH 3.27Å; G29-Y93 PolarHBondContact O-OH 3.12Å; T30-Y93 HydrophobicContact CG2-CD2 4.02Å; T30-Y93 HydrophobicContact CG2-CE2 3.49Å; T30-Y93 VanDerWaalsContact CG2-CE2 3.49Å; D33-Y93 PolarHBondContact OD2-OH 3.43Å; R89-Y93 VanDerWaalsContact O-CG 3.32Å; R89-Y93 PolarHBondContact O-N 3.23Å; F90-Y93 AromaticContact CD1-CD2 4Å; F90-Y93 HydrophobicContact CD1-CD2 4Å; F90-Y93 HydrophobicContact CD1-CE2 4.16Å; F90-Y93 HydrophobicContact CE1-CE2 4.44Å; F90-Y93 PolarHBondContact O-N 3.36Å; Y91-Y93 VanDerWaalsContact C-N 3.33Å; Y91-Y93 PolarHBondContact O-N 2.88Å; Y93-R95 VanDerWaalsContact C-N 3.33Å |
| 94 | T | 88.7 | Confident | 92.3 | Very high | 105 Ų | 105 | 63.6 Ų | 63.6 | 64% | 0.644 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0 | 175.9 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | Y91 L92 | Y91-T94 PolarHBondContact O-N 3.16Å; Y91-T94 VanDerWaalsContact O-N 3.15Å; Y91-T94 PolarHBondContact O-OG1 2.98Å; L92-T94 PolarHBondContact O-N 2.93Å; L92-T94 VanDerWaalsContact O-N 3.16Å |
| 95 | R | 87.5 | Confident | 92.4 | Very high | 133 Ų | 133 | 60.3 Ų | 60.3 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -118 | 151.8 | -174.9 | -65 | -60.3 | -172.1 | 111.3 | -8.4 | 110.9 | Y91 L92 Y93 | Y91-R95 PolarHBondContact OH-NH2 3.03Å; L92-R95 PolarHBondContact O-N 2.8Å; Y93-R95 VanDerWaalsContact C-N 3.33Å |
| 96 | P | 86.2 | Confident | 92.5 | Very high | 102 Ų | 102 | 60.3 Ų | 60.3 | 66% | 0.662 | 31% | 0.305 | S | S | * | . | trans | -59.5 | 143 | 170.2 | 26.6 | -34 | 0 | 0 | 0 | 109.5 | Y98 | P96-Y98 WeakPolarHBondContact O-CD1 3.38Å; P96-Y98 PolarHBondContact O-N 2.91Å | ||
| 97 | P | 89.6 | Confident | 92.6 | Very high | 133 Ų | 133 | 66 Ų | 66 | 86% | 0.864 | 33% | 0.334 | S | S | * | . | trans | -63.6 | 136.1 | 179.6 | 27 | -34 | 0 | 0 | 0 | 110.3 | ||||
| 98 | Y | 92.4 | Very high | 92.7 | Very high | 96 Ų | 96 | 67 Ų | 67 | 38% | 0.376 | 33% | 0.331 | S | S | . | . | trans | -142.7 | 167.8 | 175.5 | 65.4 | -82.3 | 0 | 0 | 0 | 110.1 | L92 P96 L100 A183 | L92-Y98 HydrophobicContact CD2-CE1 3.84Å; L92-Y98 WeakPolarHBondContact CD2-OH 3.36Å; P96-Y98 WeakPolarHBondContact O-CD1 3.38Å; P96-Y98 PolarHBondContact O-N 2.91Å; Y98-L100 HydrophobicContact CD2-CD2 4.2Å; Y98-L100 HydrophobicContact CD2-CG 4.17Å; Y98-L100 HydrophobicContact CE2-CD1 3.99Å; Y98-L100 HydrophobicContact CE2-CD2 3.91Å; Y98-L100 HydrophobicContact CE2-CG 3.84Å; Y98-A183 HydrophobicContact CD1-CB 4.03Å; Y98-A183 HydrophobicContact CD2-CB 3.6Å; Y98-A183 HydrophobicContact CE1-CB 3.75Å; Y98-A183 HydrophobicContact CE2-CB 3.29Å; Y98-A183 HydrophobicContact CG-CB 3.96Å; Y98-A183 VanDerWaalsContact O-CB 3.27Å; Y98-A183 WeakPolarHBondContact O-CB 3.23Å; Y98-A183 PolarHBondContact O-N 3.48Å | ||
| 99 | T | 94.4 | Very high | 92.8 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147.7 | -175.9 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | R180 I181 | T99-R180 PolarHBondContact O-NH1 3.26Å; T99-I181 CarbonylContact C-O 3.25Å; T99-I181 WeakPolarHBondContact CA-O 3.45Å; T99-I181 WeakPolarHBondContact CB-O 3.4Å |
| 100 | L | 94.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157 | -178.6 | -68.7 | 177 | 0 | 0 | 0 | 110.1 | Y98 E104 R180 I181 A183 | Y98-L100 HydrophobicContact CD2-CD2 4.2Å; Y98-L100 HydrophobicContact CD2-CG 4.17Å; Y98-L100 HydrophobicContact CE2-CD1 3.99Å; Y98-L100 HydrophobicContact CE2-CD2 3.91Å; Y98-L100 HydrophobicContact CE2-CG 3.84Å; L100-E104 HydrophobicContact CB-CB 4.29Å; L100-E104 HydrophobicContact CD2-CB 4.35Å; L100-R180 CarbonylContact O-C 3.6Å; L100-R180 WeakPolarHBondContact O-CA 3.48Å; L100-I181 PolarHBondContact N-O 2.88Å; L100-I181 WeakPolarHBondContact O-CG1 3.43Å; L100-I181 PolarHBondContact O-N 2.8Å; L100-A183 HydrophobicContact CD1-CB 3.95Å; L100-A183 HydrophobicContact CG-CB 4.11Å |
| 101 | L | 95.8 | Very high | 93 | Very high | 44 Ų | 44 | 64.8 Ų | 64.8 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | trans | -72.1 | 147.3 | 162.8 | -73.9 | 152.4 | 0 | 0 | 0 | 109.5 | I103 E104 C105 | L101-I103 VanDerWaalsContact C-N 3.25Å; L101-I103 HydrophobicContact CB-CG2 4.24Å; L101-I103 PolarHBondContact O-N 3.35Å; L101-E104 HydrophobicContact CB-CB 4.49Å; L101-E104 HydrophobicContact CB-CG 4Å; L101-E104 PolarHBondContact N-OE2 2.67Å; L101-E104 WeakPolarHBondContact O-CA 3.24Å; L101-E104 WeakPolarHBondContact O-CB 3.38Å; L101-E104 PolarHBondContact O-N 3.2Å; L101-C105 PolarHBondContact O-N 3.24Å | ||
| 102 | P | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.2 | -36.8 | 179.9 | -32.2 | 38.7 | 0 | 0 | 0 | 114.4 | E104 C105 M106 A174 L177 H179 I181 V190 | P102-E104 VanDerWaalsContact C-N 3.34Å; P102-E104 PolarHBondContact O-N 3.24Å; P102-C105 VanDerWaalsContact O-CB 3.25Å; P102-C105 WeakPolarHBondContact O-CB 3.48Å; P102-C105 PolarHBondContact O-N 2.85Å; P102-M106 WeakPolarHBondContact O-CG 3.44Å; P102-M106 PolarHBondContact O-N 3.19Å; P102-A174 HydrophobicContact CB-CB 4.29Å; P102-L177 HydrophobicContact CB-CB 4.2Å; P102-L177 HydrophobicContact CB-CD1 4.42Å; P102-L177 HydrophobicContact CG-CB 3.73Å; P102-L177 HydrophobicContact CG-CD1 4.23Å; P102-H179 WeakPolarHBondContact CD-O 3.49Å; P102-I181 HydrophobicContact CB-CD1 4.35Å; P102-I181 HydrophobicContact CG-CD1 4.05Å; P102-I181 HydrophobicContact CG-CG1 4.23Å; P102-I181 HydrophobicContact CG-CG2 4.33Å; P102-V190 HydrophobicContact CB-CG1 4.32Å; P102-V190 WeakPolarHBondContact CB-O 3.14Å |
| 103 | I | 96.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 173.9 | -168.4 | 59.3 | 0 | 0 | 0 | 113.2 | L101 C105 M106 L107 W171 A175 | L101-I103 VanDerWaalsContact C-N 3.25Å; L101-I103 HydrophobicContact CB-CG2 4.24Å; L101-I103 PolarHBondContact O-N 3.35Å; I103-C105 VanDerWaalsContact C-N 3.33Å; I103-M106 PolarHBondContact O-N 3.32Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.43Å; I103-W171 HydrophobicContact CD1-CE3 3.61Å; I103-W171 HydrophobicContact CD1-CZ3 3.75Å; I103-A175 HydrophobicContact CD1-CB 4.2Å |
| 104 | E | 96.9 | Very high | 93.8 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 174 | -61.4 | 171.4 | 150.5 | 0 | 0 | 110.4 | L100 L101 P102 L107 Q108 | L100-E104 HydrophobicContact CB-CB 4.29Å; L100-E104 HydrophobicContact CD2-CB 4.35Å; L101-E104 HydrophobicContact CB-CB 4.49Å; L101-E104 HydrophobicContact CB-CG 4Å; L101-E104 PolarHBondContact N-OE2 2.67Å; L101-E104 WeakPolarHBondContact O-CA 3.24Å; L101-E104 WeakPolarHBondContact O-CB 3.38Å; L101-E104 PolarHBondContact O-N 3.2Å; P102-E104 VanDerWaalsContact C-N 3.34Å; P102-E104 PolarHBondContact O-N 3.24Å; E104-L107 PolarHBondContact O-N 3.41Å; E104-Q108 WeakPolarHBondContact O-CB 3.48Å; E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.22Å; E104-Q108 PolarHBondContact O-N 2.86Å |
| 105 | C | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 169.8 | -88.9 | 0 | 0 | 0 | 0 | 111.3 | L101 P102 I103 L107 Q108 A109 L112 C185 V190 | L101-C105 PolarHBondContact O-N 3.24Å; P102-C105 VanDerWaalsContact O-CB 3.25Å; P102-C105 WeakPolarHBondContact O-CB 3.48Å; P102-C105 PolarHBondContact O-N 2.85Å; I103-C105 VanDerWaalsContact C-N 3.33Å; C105-L107 VanDerWaalsContact C-N 3.29Å; C105-L107 PolarHBondContact O-N 3.11Å; C105-Q108 PolarHBondContact O-N 3.46Å; C105-A109 WeakPolarHBondContact O-CA 3.27Å; C105-A109 WeakPolarHBondContact O-CB 3.42Å; C105-A109 PolarHBondContact O-N 3.04Å; C105-L112 HydrophobicContact CB-CD1 4.24Å; C105-C185 VanDerWaalsContact CA-SG 3.56Å; C105-C185 HydrophobicContact CB-CB 3.67Å; C105-C185 WeakPolarHBondContact CB-SG 3.11Å; C105-C185 WeakPolarHBondContact SG-CB 3.36Å; C105-C185 CovalentContact SG-SG 2.04Å; C105-C185 PolarHBondContact SG-SG 3.03Å; C105-V190 HydrophobicContact CB-CG1 4.4Å; C105-V190 HydrophobicContact CB-CG2 4.01Å |
| 106 | M | 95.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -39.2 | 177.4 | -68.5 | -62.1 | -75.8 | 0 | 0 | 112.7 | P102 I103 L112 W171 A174 V190 | P102-M106 WeakPolarHBondContact O-CG 3.44Å; P102-M106 PolarHBondContact O-N 3.19Å; I103-M106 PolarHBondContact O-N 3.32Å; M106-L112 HydrophobicContact CE-CB 4.45Å; M106-L112 HydrophobicContact SD-CB 3.62Å; M106-L112 HydrophobicContact SD-CD1 4.03Å; M106-L112 HydrophobicContact SD-CG 4.49Å; M106-W171 HydrophobicContact CB-CD2 4.37Å; M106-W171 HydrophobicContact CB-CE3 4.24Å; M106-W171 HydrophobicContact CB-CH2 3.89Å; M106-W171 HydrophobicContact CB-CZ2 4.03Å; M106-W171 HydrophobicContact CB-CZ3 4Å; M106-W171 HydrophobicContact CE-CD2 4.18Å; M106-W171 HydrophobicContact CE-CG 4.08Å; M106-W171 HydrophobicContact CE-CZ2 4.47Å; M106-A174 HydrophobicContact CG-CB 3.6Å; M106-V190 HydrophobicContact CG-CG1 3.72Å; M106-V190 HydrophobicContact SD-CG1 3.58Å; M106-V190 VanDerWaalsContact SD-CG1 3.58Å |
| 107 | L | 95.6 | Very high | 94.7 | Very high | 121 Ų | 121 | 43.1 Ų | 43.1 | 63% | 0.634 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -68.6 | -38.3 | 177.9 | -73.6 | 165.7 | 0 | 0 | 0 | 113.2 | I103 E104 C105 W171 | I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.43Å; E104-L107 PolarHBondContact O-N 3.41Å; C105-L107 VanDerWaalsContact C-N 3.29Å; C105-L107 PolarHBondContact O-N 3.11Å; L107-W171 HydrophobicContact CD2-CH2 3.86Å; L107-W171 HydrophobicContact CD2-CZ3 3.96Å; L107-W171 HydrophobicContact CG-CH2 4.15Å; L107-W171 HydrophobicContact CG-CZ3 4.12Å |
| 108 | Q | 94.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 36.8 Ų | 36.8 | 45% | 0.453 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -91 | -23.6 | -176.3 | -64.5 | 178.8 | 17.8 | 0 | 0 | 113.9 | R88 E104 C105 | R88-Q108 PolarHBondContact NH1-O 3.24Å; E104-Q108 WeakPolarHBondContact O-CB 3.48Å; E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.22Å; E104-Q108 PolarHBondContact O-N 2.86Å; C105-Q108 PolarHBondContact O-N 3.46Å |
| 109 | A | 94.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | trans | -116.7 | 76.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | C105 H111 L112 | C105-A109 WeakPolarHBondContact O-CA 3.27Å; C105-A109 WeakPolarHBondContact O-CB 3.42Å; C105-A109 PolarHBondContact O-N 3.04Å; A109-H111 PolarHBondContact O-N 3.48Å; A109-L112 HydrophobicContact CB-CD1 3.63Å; A109-L112 HydrophobicContact CB-CG 3.83Å; A109-L112 VanDerWaalsContact O-CB 3.3Å; A109-L112 WeakPolarHBondContact O-CB 3.32Å; A109-L112 VanDerWaalsContact O-CG 3.32Å; A109-L112 WeakPolarHBondContact O-CG 3.4Å; A109-L112 PolarHBondContact O-N 3.38Å | ||
| 110 | I | 94 | Very high | 94.8 | Very high | 93 Ų | 93 | 32 Ų | 32 | 48% | 0.477 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.3 | -176.3 | -167.7 | 61 | 0 | 0 | 0 | 113.9 | L84 L112 T113 I114 | L84-I110 HydrophobicContact CD1-CG2 3.93Å; I110-L112 PolarHBondContact O-N 2.67Å; I110-T113 WeakPolarHBondContact O-CB 3.48Å; I110-T113 PolarHBondContact O-N 2.83Å; I110-I114 HydrophobicContact CG1-CD1 4.22Å; I110-I114 HydrophobicContact CG1-CG1 4.49Å; I110-I114 HydrophobicContact CG2-CD1 4.42Å; I110-I114 WeakPolarHBondContact O-CG1 3.49Å; I110-I114 PolarHBondContact O-N 3.08Å |
| 111 | H | 94.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -28.8 | 177.1 | 61.1 | -99.5 | 0 | 0 | 0 | 113 | A81 L84 S85 A109 T113 I114 F115 | A81-H111 HydrophobicContact CB-CB 4.34Å; A81-H111 WeakPolarHBondContact O-CB 3.31Å; L84-H111 HydrophobicContact CB-CB 4.14Å; S85-H111 PolarHBondContact OG-CD2 2.97Å; S85-H111 PolarHBondContact OG-NE2 3.29Å; A109-H111 PolarHBondContact O-N 3.48Å; H111-T113 PolarHBondContact O-N 2.84Å; H111-I114 PolarHBondContact O-N 2.65Å; H111-I114 VanDerWaalsContact O-N 3.08Å; H111-F115 HydrophobicContact CB-CE2 4.36Å; H111-F115 AromaticContact CD2-CE2 3.61Å; H111-F115 WeakPolarHBondContact O-CD2 3.34Å; H111-F115 WeakPolarHBondContact O-CG 3.44Å; H111-F115 PolarHBondContact O-N 2.85Å |
| 112 | L | 95.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -31.3 | 175.3 | -58.5 | 177.1 | 0 | 0 | 0 | 112.4 | C105 M106 A109 I110 P116 C185 N187 V190 | C105-L112 HydrophobicContact CB-CD1 4.24Å; M106-L112 HydrophobicContact CE-CB 4.45Å; M106-L112 HydrophobicContact SD-CB 3.62Å; M106-L112 HydrophobicContact SD-CD1 4.03Å; M106-L112 HydrophobicContact SD-CG 4.49Å; A109-L112 HydrophobicContact CB-CD1 3.63Å; A109-L112 HydrophobicContact CB-CG 3.83Å; A109-L112 VanDerWaalsContact O-CB 3.3Å; A109-L112 WeakPolarHBondContact O-CB 3.32Å; A109-L112 VanDerWaalsContact O-CG 3.32Å; A109-L112 WeakPolarHBondContact O-CG 3.4Å; A109-L112 PolarHBondContact O-N 3.38Å; I110-L112 PolarHBondContact O-N 2.67Å; L112-P116 WeakPolarHBondContact O-CD 3.2Å; L112-C185 HydrophobicContact CD1-CB 3.92Å; L112-N187 WeakPolarHBondContact CD2-OD1 3.46Å; L112-V190 HydrophobicContact CD1-CG1 4.12Å; L112-V190 HydrophobicContact CD1-CG2 3.99Å |
| 113 | T | 95.8 | Very high | 94 | Very high | 16 Ų | 16 | 33 Ų | 33 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -79.1 | -33.8 | 173.5 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | I110 H111 P116 I117 T167 W171 | I110-T113 WeakPolarHBondContact O-CB 3.48Å; I110-T113 PolarHBondContact O-N 2.83Å; H111-T113 PolarHBondContact O-N 2.84Å; T113-P116 WeakPolarHBondContact O-CD 3.27Å; T113-P116 WeakPolarHBondContact O-CG 3.32Å; T113-I117 HydrophobicContact CG2-CD1 4.26Å; T113-I117 WeakPolarHBondContact O-CD1 3.43Å; T113-I117 WeakPolarHBondContact O-CG1 2.95Å; T113-T167 HydrophobicContact CG2-CG2 3.59Å; T113-W171 WeakPolarHBondContact OG1-CZ2 3.2Å; T113-W171 PolarHBondContact OG1-NE1 2.72Å |
| 114 | I | 95.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 11% | 0.113 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.3 | -37.4 | -176.7 | -61.1 | 169.2 | 0 | 0 | 0 | 111.5 | L77 A81 L84 I110 H111 I117 C118 | L77-I114 HydrophobicContact CD1-CG2 3.78Å; L77-I114 HydrophobicContact CD2-CG2 4.12Å; L77-I114 HydrophobicContact CG-CG2 3.55Å; A81-I114 HydrophobicContact CB-CB 3.96Å; A81-I114 HydrophobicContact CB-CG2 3.65Å; L84-I114 HydrophobicContact CD1-CD1 4.37Å; I110-I114 HydrophobicContact CG1-CD1 4.22Å; I110-I114 HydrophobicContact CG1-CG1 4.49Å; I110-I114 HydrophobicContact CG2-CD1 4.42Å; I110-I114 WeakPolarHBondContact O-CG1 3.49Å; I110-I114 PolarHBondContact O-N 3.08Å; H111-I114 PolarHBondContact O-N 2.65Å; H111-I114 VanDerWaalsContact O-N 3.08Å; I114-I117 WeakPolarHBondContact O-CB 3.13Å; I114-I117 PolarHBondContact O-N 3.22Å; I114-C118 VanDerWaalsContact CG2-SG 3.58Å; I114-C118 WeakPolarHBondContact O-CB 3.32Å; I114-C118 PolarHBondContact O-N 3.41Å; I114-C118 PolarHBondContact O-SG 3.35Å; I114-C118 VanDerWaalsContact O-SG 3.32Å |
| 115 | F | 93.3 | Very high | 93.2 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53 | -58 | -179.8 | -74 | -47.7 | 0 | 0 | 0 | 114.2 | A81 F82 H111 I117 C118 D119 | A81-F115 HydrophobicContact CB-CD1 3.87Å; A81-F115 HydrophobicContact CB-CE1 3.66Å; A81-F115 HydrophobicContact CB-CZ 4.27Å; F82-F115 HydrophobicContact CD1-CE1 4.04Å; F82-F115 HydrophobicContact CD1-CZ 4.16Å; F82-F115 HydrophobicContact CD2-CE1 4.02Å; F82-F115 AromaticContact CE1-CE1 3.89Å; F82-F115 HydrophobicContact CE1-CE1 3.89Å; F82-F115 HydrophobicContact CE1-CZ 4.17Å; F82-F115 AromaticContact CE2-CE1 3.87Å; F82-F115 HydrophobicContact CE2-CE1 3.87Å; F82-F115 HydrophobicContact CG-CE1 4.08Å; F82-F115 HydrophobicContact CG-CZ 4.47Å; F82-F115 HydrophobicContact CZ-CD1 4.49Å; F82-F115 AromaticContact CZ-CE1 3.78Å; F82-F115 HydrophobicContact CZ-CE1 3.78Å; F82-F115 HydrophobicContact CZ-CZ 4.5Å; H111-F115 HydrophobicContact CB-CE2 4.36Å; H111-F115 AromaticContact CD2-CE2 3.61Å; H111-F115 WeakPolarHBondContact O-CD2 3.34Å; H111-F115 WeakPolarHBondContact O-CG 3.44Å; H111-F115 PolarHBondContact O-N 2.85Å; F115-I117 VanDerWaalsContact C-N 3.26Å; F115-I117 PolarHBondContact O-N 2.96Å; F115-C118 WeakPolarHBondContact O-CA 3.14Å; F115-C118 WeakPolarHBondContact O-CB 3.37Å; F115-C118 PolarHBondContact O-N 3.11Å; F115-D119 PolarHBondContact O-N 3.27Å |
| 116 | P | 93.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.045 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | -179.3 | 23.2 | -33.6 | 0 | 0 | 0 | 112.5 | L112 T113 C118 D119 V120 | L112-P116 WeakPolarHBondContact O-CD 3.2Å; T113-P116 WeakPolarHBondContact O-CD 3.27Å; T113-P116 WeakPolarHBondContact O-CG 3.32Å; P116-C118 PolarHBondContact O-N 3.32Å; P116-D119 PolarHBondContact O-N 3.3Å; P116-V120 WeakPolarHBondContact O-CG2 3.44Å; P116-V120 PolarHBondContact O-N 3.23Å; P116-V120 VanDerWaalsContact O-N 3.16Å |
| 117 | I | 94.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 29 Ų | 29 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 172.9 | -65.7 | 172 | 0 | 0 | 0 | 110.3 | L77 T113 I114 F115 L121 T167 | L77-I117 HydrophobicContact CD2-CG2 4.26Å; T113-I117 HydrophobicContact CG2-CD1 4.26Å; T113-I117 WeakPolarHBondContact O-CD1 3.43Å; T113-I117 WeakPolarHBondContact O-CG1 2.95Å; I114-I117 WeakPolarHBondContact O-CB 3.13Å; I114-I117 PolarHBondContact O-N 3.22Å; F115-I117 VanDerWaalsContact C-N 3.26Å; F115-I117 PolarHBondContact O-N 2.96Å; I117-L121 HydrophobicContact CG2-CD1 3.63Å; I117-L121 HydrophobicContact CG2-CG 4.18Å; I117-L121 VanDerWaalsContact O-CB 3.31Å; I117-L121 WeakPolarHBondContact O-CB 3.24Å; I117-L121 WeakPolarHBondContact O-CG 3.42Å; I117-L121 PolarHBondContact O-N 3.44Å; I117-T167 HydrophobicContact CD1-CG2 4.19Å; I117-T167 HydrophobicContact CG1-CG2 4.32Å; I117-T167 WeakPolarHBondContact CG1-OG1 3.35Å |
| 118 | C | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | -179.9 | -76 | 0 | 0 | 0 | 0 | 112.6 | L77 S78 I114 F115 P116 V120 L121 N122 | L77-C118 VanDerWaalsContact CG-SG 3.54Å; S78-C118 PolarHBondContact N-SG 3.2Å; S78-C118 VanDerWaalsContact N-SG 3.35Å; S78-C118 WeakPolarHBondContact OG-CB 3Å; S78-C118 PolarHBondContact OG-SG 3.05Å; I114-C118 VanDerWaalsContact CG2-SG 3.58Å; I114-C118 WeakPolarHBondContact O-CB 3.32Å; I114-C118 PolarHBondContact O-N 3.41Å; I114-C118 PolarHBondContact O-SG 3.35Å; I114-C118 VanDerWaalsContact O-SG 3.32Å; F115-C118 WeakPolarHBondContact O-CA 3.14Å; F115-C118 WeakPolarHBondContact O-CB 3.37Å; F115-C118 PolarHBondContact O-N 3.11Å; P116-C118 PolarHBondContact O-N 3.32Å; C118-V120 PolarHBondContact O-N 2.9Å; C118-L121 PolarHBondContact O-N 2.66Å; C118-N122 VanDerWaalsContact O-CB 3.28Å; C118-N122 WeakPolarHBondContact O-CB 3.4Å; C118-N122 PolarHBondContact O-N 3.04Å; C118-N122 PolarHBondContact O-ND2 2.81Å |
| 119 | D | 90.7 | Very high | 91.7 | Very high | 66 Ų | 66 | 18.9 Ų | 18.9 | 35% | 0.353 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -60.7 | -47.9 | -179.7 | -65.5 | -25.6 | 0 | 0 | 0 | 110.7 | F115 P116 V123 H199 V203 | F115-D119 PolarHBondContact O-N 3.27Å; P116-D119 PolarHBondContact O-N 3.3Å; D119-V123 WeakPolarHBondContact O-CG2 3.3Å; D119-V123 PolarHBondContact O-N 3.43Å; D119-H199 IonicContact OD2-NE2 3.11Å; D119-V203 HydrophobicContact CB-CG2 4.11Å |
| 120 | V | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 174.2 | 176 | 0 | 0 | 0 | 0 | 110.9 | P116 C118 N122 T124 I162 L202 L206 | P116-V120 WeakPolarHBondContact O-CG2 3.44Å; P116-V120 PolarHBondContact O-N 3.23Å; P116-V120 VanDerWaalsContact O-N 3.16Å; C118-V120 PolarHBondContact O-N 2.9Å; V120-N122 PolarHBondContact O-N 3.3Å; V120-T124 HydrophobicContact CG1-CG2 4.08Å; V120-T124 VanDerWaalsContact O-CB 3.25Å; V120-T124 WeakPolarHBondContact O-CB 3.48Å; V120-T124 WeakPolarHBondContact O-CG2 3.5Å; V120-T124 PolarHBondContact O-N 3.37Å; V120-T124 PolarHBondContact O-OG1 2.94Å; V120-I162 HydrophobicContact CG1-CG2 4.09Å; V120-L202 HydrophobicContact CG2-CD2 4.29Å; V120-L206 HydrophobicContact CG1-CD1 4.28Å |
| 121 | L | 91.8 | Very high | 91 | Very high | 41 Ų | 41 | 15.6 Ų | 15.6 | 22% | 0.215 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | -178.6 | -75 | 177.7 | 0 | 0 | 0 | 112.6 | L77 I117 C118 T124 T125 I159 | L77-L121 HydrophobicContact CD2-CD1 4.42Å; I117-L121 HydrophobicContact CG2-CD1 3.63Å; I117-L121 HydrophobicContact CG2-CG 4.18Å; I117-L121 VanDerWaalsContact O-CB 3.31Å; I117-L121 WeakPolarHBondContact O-CB 3.24Å; I117-L121 WeakPolarHBondContact O-CG 3.42Å; I117-L121 PolarHBondContact O-N 3.44Å; C118-L121 PolarHBondContact O-N 2.66Å; L121-T124 WeakPolarHBondContact CA-OG1 3.25Å; L121-T124 PolarHBondContact O-OG1 3.36Å; L121-T125 VanDerWaalsContact O-CB 3.25Å; L121-T125 WeakPolarHBondContact O-CB 3.33Å; L121-T125 WeakPolarHBondContact O-CG2 3.33Å; L121-T125 PolarHBondContact O-N 3.12Å; L121-T125 PolarHBondContact O-OG1 3.46Å; L121-I159 HydrophobicContact CD2-CG2 3.84Å |
| 122 | N | 89.3 | Confident | 90.6 | Very high | 25 Ų | 25 | 15.8 Ų | 15.8 | 13% | 0.134 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | -178.6 | -75.9 | -23.8 | 0 | 0 | 0 | 110.8 | S74 N75 S78 C118 V120 T125 S126 | S74-N122 WeakPolarHBondContact CB-OD1 3.47Å; S74-N122 PolarHBondContact OG-OD1 3.32Å; N75-N122 PolarHBondContact OD1-OD1 3.03Å; S78-N122 PolarHBondContact OG-ND2 3.32Å; S78-N122 VanDerWaalsContact OG-ND2 3.08Å; C118-N122 VanDerWaalsContact O-CB 3.28Å; C118-N122 WeakPolarHBondContact O-CB 3.4Å; C118-N122 PolarHBondContact O-N 3.04Å; C118-N122 PolarHBondContact O-ND2 2.81Å; V120-N122 PolarHBondContact O-N 3.3Å; N122-T125 PolarHBondContact O-OG1 2.85Å; N122-S126 WeakPolarHBondContact O-CB 3.39Å; N122-S126 PolarHBondContact O-N 2.95Å; N122-S126 VanDerWaalsContact O-N 3.1Å |
| 123 | V | 88.8 | Confident | 90.2 | Very high | 14 Ų | 14 | 16.2 Ų | 16.2 | 9% | 0.085 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.2 | -43.9 | -179.7 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | D119 S126 A127 V203 L206 A207 | D119-V123 WeakPolarHBondContact O-CG2 3.3Å; D119-V123 PolarHBondContact O-N 3.43Å; V123-S126 WeakPolarHBondContact O-CB 3.47Å; V123-S126 PolarHBondContact O-N 3.36Å; V123-A127 PolarHBondContact O-N 2.92Å; V123-V203 HydrophobicContact CG2-CG1 3.81Å; V123-L206 HydrophobicContact CG1-CB 3.61Å; V123-A207 HydrophobicContact CG1-CB 3.71Å |
| 124 | T | 88.8 | Confident | 89.6 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -73.4 | -34.6 | -177.2 | 57 | 0 | 0 | 0 | 0 | 113.6 | V120 L121 S126 A127 L128 I159 L206 | V120-T124 HydrophobicContact CG1-CG2 4.08Å; V120-T124 VanDerWaalsContact O-CB 3.25Å; V120-T124 WeakPolarHBondContact O-CB 3.48Å; V120-T124 WeakPolarHBondContact O-CG2 3.5Å; V120-T124 PolarHBondContact O-N 3.37Å; V120-T124 PolarHBondContact O-OG1 2.94Å; L121-T124 WeakPolarHBondContact CA-OG1 3.25Å; L121-T124 PolarHBondContact O-OG1 3.36Å; T124-S126 VanDerWaalsContact C-N 3.33Å; T124-A127 WeakPolarHBondContact O-CB 3.21Å; T124-A127 PolarHBondContact O-N 3.27Å; T124-L128 WeakPolarHBondContact O-CB 3.38Å; T124-L128 PolarHBondContact O-N 2.87Å; T124-I159 HydrophobicContact CG2-CD1 4.41Å; T124-I159 HydrophobicContact CG2-CG1 3.94Å; T124-I159 HydrophobicContact CG2-CG2 4.19Å; T124-I159 WeakPolarHBondContact OG1-CG2 3.31Å; T124-L206 HydrophobicContact CG2-CB 4.48Å; T124-L206 HydrophobicContact CG2-CD1 3.78Å; T124-L206 HydrophobicContact CG2-CD2 4.07Å; T124-L206 HydrophobicContact CG2-CG 4.33Å |
| 125 | T | 89.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.7 | -33.3 | 173.2 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | A70 F71 L121 N122 L128 I129 L156 | A70-T125 HydrophobicContact CB-CG2 3.84Å; F71-T125 WeakPolarHBondContact CD2-OG1 3.27Å; L121-T125 VanDerWaalsContact O-CB 3.25Å; L121-T125 WeakPolarHBondContact O-CB 3.33Å; L121-T125 WeakPolarHBondContact O-CG2 3.33Å; L121-T125 PolarHBondContact O-N 3.12Å; L121-T125 PolarHBondContact O-OG1 3.46Å; N122-T125 PolarHBondContact O-OG1 2.85Å; T125-L128 WeakPolarHBondContact O-CB 3.38Å; T125-L128 PolarHBondContact O-N 2.87Å; T125-I129 VanDerWaalsContact O-CG1 3.3Å; T125-I129 WeakPolarHBondContact O-CG1 3.36Å; T125-I129 PolarHBondContact O-N 3.41Å; T125-L156 HydrophobicContact CG2-CD2 4.48Å |
| 126 | S | 86.1 | Confident | 88.6 | Confident | 12 Ų | 12 | 17.8 Ų | 17.8 | 8% | 0.084 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 168.1 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | N122 V123 T124 L128 I129 S130 | N122-S126 WeakPolarHBondContact O-CB 3.39Å; N122-S126 PolarHBondContact O-N 2.95Å; N122-S126 VanDerWaalsContact O-N 3.1Å; V123-S126 WeakPolarHBondContact O-CB 3.47Å; V123-S126 PolarHBondContact O-N 3.36Å; T124-S126 VanDerWaalsContact C-N 3.33Å; S126-L128 VanDerWaalsContact C-N 3.31Å; S126-L128 PolarHBondContact O-N 3.14Å; S126-I129 PolarHBondContact O-N 2.97Å; S126-S130 PolarHBondContact O-N 2.95Å; S126-S130 PolarHBondContact O-OG 2.91Å |
| 127 | A | 86.6 | Confident | 87.8 | Confident | 13 Ų | 13 | 17.7 Ų | 17.7 | 11% | 0.107 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | V123 T124 S130 L131 A210 F213 | V123-A127 PolarHBondContact O-N 2.92Å; T124-A127 WeakPolarHBondContact O-CB 3.21Å; T124-A127 PolarHBondContact O-N 3.27Å; A127-S130 WeakPolarHBondContact O-CB 3.43Å; A127-S130 PolarHBondContact O-N 3.49Å; A127-L131 WeakPolarHBondContact O-CB 3.35Å; A127-L131 PolarHBondContact O-N 2.73Å; A127-A210 HydrophobicContact CB-CB 3.59Å; A127-F213 HydrophobicContact CB-CD2 4.48Å |
| 128 | L | 88.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | 178.7 | -177.5 | 64.7 | 0 | 0 | 0 | 112.4 | C67 T124 T125 S126 S130 L131 E132 V152 T155 L156 | C67-L128 HydrophobicContact CB-CD2 4.47Å; C67-L128 HydrophobicContact CB-CG 4.46Å; T124-L128 WeakPolarHBondContact O-CB 3.38Å; T124-L128 PolarHBondContact O-N 2.87Å; T125-L128 WeakPolarHBondContact O-CB 3.38Å; T125-L128 PolarHBondContact O-N 2.87Å; S126-L128 VanDerWaalsContact C-N 3.31Å; S126-L128 PolarHBondContact O-N 3.14Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-L131 PolarHBondContact O-N 3.18Å; L128-E132 WeakPolarHBondContact O-CB 3.49Å; L128-E132 PolarHBondContact O-N 3.38Å; L128-V152 HydrophobicContact CD1-CB 4.45Å; L128-V152 HydrophobicContact CD1-CG1 4.35Å; L128-V152 HydrophobicContact CD1-CG2 4.18Å; L128-V152 HydrophobicContact CD2-CG1 4.21Å; L128-T155 HydrophobicContact CD1-CG2 3.84Å; L128-L156 HydrophobicContact CD2-CD1 3.87Å; L128-L156 HydrophobicContact CD2-CD2 3.71Å; L128-L156 HydrophobicContact CD2-CG 3.59Å |
| 129 | I | 87.8 | Confident | 86 | Confident | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 172.8 | -70.8 | 166.9 | 0 | 0 | 0 | 109.8 | C67 F71 T125 S126 E132 R133 F290 Y294 | C67-I129 HydrophobicContact CB-CG1 3.75Å; F71-I129 HydrophobicContact CB-CD1 3.91Å; F71-I129 HydrophobicContact CD2-CD1 4.3Å; F71-I129 HydrophobicContact CG-CD1 4.12Å; T125-I129 VanDerWaalsContact O-CG1 3.3Å; T125-I129 WeakPolarHBondContact O-CG1 3.36Å; T125-I129 PolarHBondContact O-N 3.41Å; S126-I129 PolarHBondContact O-N 2.97Å; I129-E132 PolarHBondContact O-N 2.88Å; I129-R133 WeakPolarHBondContact O-CG 3.38Å; I129-R133 PolarHBondContact O-N 3.42Å; I129-F290 HydrophobicContact CD1-CE2 4.08Å; I129-F290 HydrophobicContact CD1-CZ 3.92Å; I129-Y294 WeakPolarHBondContact CG2-OH 3.44Å |
| 130 | S | 86.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 179.7 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | S126 A127 L128 R133 F134 | S126-S130 PolarHBondContact O-N 2.95Å; S126-S130 PolarHBondContact O-OG 2.91Å; A127-S130 WeakPolarHBondContact O-CB 3.43Å; A127-S130 PolarHBondContact O-N 3.49Å; L128-S130 VanDerWaalsContact C-N 3.31Å; S130-R133 PolarHBondContact O-N 3.47Å; S130-F134 PolarHBondContact O-N 3.18Å |
| 131 | L | 87.6 | Confident | 83.6 | Confident | 24 Ų | 24 | 29.6 Ų | 29.6 | 13% | 0.126 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.5 | 177.1 | 62.2 | 0 | 0 | 0 | 111.5 | A127 L128 R133 F134 L135 F213 | A127-L131 WeakPolarHBondContact O-CB 3.35Å; A127-L131 PolarHBondContact O-N 2.73Å; L128-L131 PolarHBondContact O-N 3.18Å; L131-R133 VanDerWaalsContact C-N 3.32Å; L131-R133 PolarHBondContact O-N 3.34Å; L131-F134 HydrophobicContact CD1-CD1 4.38Å; L131-F134 PolarHBondContact O-N 2.84Å; L131-L135 HydrophobicContact CD1-CD1 4.03Å; L131-L135 HydrophobicContact CD1-CG 4Å; L131-L135 HydrophobicContact CG-CD1 3.99Å; L131-L135 HydrophobicContact CG-CG 4.35Å; L131-L135 WeakPolarHBondContact O-CB 3.48Å; L131-L135 VanDerWaalsContact O-CG 3.31Å; L131-L135 WeakPolarHBondContact O-CG 3.06Å; L131-L135 PolarHBondContact O-N 3.31Å; L131-F213 HydrophobicContact CB-CD2 4.15Å; L131-F213 HydrophobicContact CB-CE2 4.5Å; L131-F213 HydrophobicContact CB-CG 4.19Å; L131-F213 HydrophobicContact CD1-CD1 3.89Å; L131-F213 HydrophobicContact CD1-CE1 3.82Å; L131-F213 HydrophobicContact CD1-CG 4.35Å; L131-F213 HydrophobicContact CD1-CZ 4.19Å |
| 132 | E | 87 | Confident | 82.1 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.4 | -170.9 | -87.3 | 171.8 | 0 | 0 | 111.2 | L128 I129 L135 A136 M148 | L128-E132 WeakPolarHBondContact O-CB 3.49Å; L128-E132 PolarHBondContact O-N 3.38Å; I129-E132 PolarHBondContact O-N 2.88Å; E132-L135 PolarHBondContact O-N 2.86Å; E132-A136 VanDerWaalsContact O-CB 3.32Å; E132-A136 WeakPolarHBondContact O-CB 3.42Å; E132-A136 PolarHBondContact O-N 3.08Å; E132-M148 HydrophobicContact CG-SD 3.89Å |
| 133 | R | 85.4 | Confident | 80.9 | Confident | 17 Ų | 17 | 31.4 Ų | 31.4 | 6% | 0.064 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 174 | -70.1 | -61 | 113.2 | 173.5 | -8.8 | 112.2 | F64 I129 S130 L131 L137 A217 I242 T243 L246 | F64-R133 VanDerWaalsContact CD2-CZ 3.49Å; F64-R133 VanDerWaalsContact CE2-CZ 3.48Å; F64-R133 VanDerWaalsContact CE2-NH2 3.3Å; I129-R133 WeakPolarHBondContact O-CG 3.38Å; I129-R133 PolarHBondContact O-N 3.42Å; S130-R133 PolarHBondContact O-N 3.47Å; L131-R133 VanDerWaalsContact C-N 3.32Å; L131-R133 PolarHBondContact O-N 3.34Å; R133-L137 WeakPolarHBondContact O-CG 3.24Å; R133-L137 PolarHBondContact O-N 3.38Å; R133-A217 HydrophobicContact CB-CB 4.22Å; R133-I242 VanDerWaalsContact NH1-CG2 3.34Å; R133-T243 HydrophobicContact CB-CG2 4.36Å; R133-T243 HydrophobicContact CG-CG2 4.45Å; R133-L246 HydrophobicContact CG-CD1 4.1Å |
| 134 | F | 84.6 | Confident | 80 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -51.5 | 176.7 | 170.3 | -116.4 | 0 | 0 | 0 | 111.1 | S130 L131 A136 L137 A138 L216 A217 A220 | S130-F134 PolarHBondContact O-N 3.18Å; L131-F134 HydrophobicContact CD1-CD1 4.38Å; L131-F134 PolarHBondContact O-N 2.84Å; F134-A136 VanDerWaalsContact C-N 3.34Å; F134-A136 PolarHBondContact O-N 2.94Å; F134-L137 PolarHBondContact O-N 3.33Å; F134-L137 VanDerWaalsContact O-N 3.13Å; F134-A138 HydrophobicContact CD2-CB 4.1Å; F134-A138 HydrophobicContact CE1-CB 4.36Å; F134-A138 HydrophobicContact CE2-CB 3.72Å; F134-A138 HydrophobicContact CZ-CB 3.87Å; F134-A138 WeakPolarHBondContact O-CB 3.39Å; F134-A138 PolarHBondContact O-N 2.99Å; F134-L216 HydrophobicContact CD2-CB 3.67Å; F134-L216 HydrophobicContact CE2-CB 3.77Å; F134-L216 HydrophobicContact CG-CB 4.19Å; F134-L216 HydrophobicContact CZ-CB 4.37Å; F134-A217 HydrophobicContact CB-CB 3.9Å; F134-A220 HydrophobicContact CD2-CB 4.37Å |
| 135 | L | 84.9 | Confident | 79.1 | Confident | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.12 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | -178 | -69.5 | 176.5 | 0 | 0 | 0 | 112.4 | L131 E132 L137 A138 S139 L142 V151 | L131-L135 HydrophobicContact CD1-CD1 4.03Å; L131-L135 HydrophobicContact CD1-CG 4Å; L131-L135 HydrophobicContact CG-CD1 3.99Å; L131-L135 HydrophobicContact CG-CG 4.35Å; L131-L135 WeakPolarHBondContact O-CB 3.48Å; L131-L135 VanDerWaalsContact O-CG 3.31Å; L131-L135 WeakPolarHBondContact O-CG 3.06Å; L131-L135 PolarHBondContact O-N 3.31Å; E132-L135 PolarHBondContact O-N 2.86Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 3.3Å; L135-A138 PolarHBondContact O-N 2.92Å; L135-S139 PolarHBondContact O-N 3.4Å; L135-S139 VanDerWaalsContact O-N 3.16Å; L135-L142 HydrophobicContact CD2-CD2 4.29Å; L135-V151 HydrophobicContact CD1-CG1 4Å |
| 136 | A | 81.6 | Confident | 78.4 | Confident | 14 Ų | 14 | 47 Ų | 47 | 12% | 0.116 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E132 F134 | E132-A136 VanDerWaalsContact O-CB 3.32Å; E132-A136 WeakPolarHBondContact O-CB 3.42Å; E132-A136 PolarHBondContact O-N 3.08Å; F134-A136 VanDerWaalsContact C-N 3.34Å; F134-A136 PolarHBondContact O-N 2.94Å |
| 137 | L | 78.4 | Confident | 78.1 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -83.2 | -34.3 | 179.8 | -70.4 | 166.7 | 0 | 0 | 0 | 113.6 | R133 F134 L135 A217 A220 M221 R224 T243 | R133-L137 WeakPolarHBondContact O-CG 3.24Å; R133-L137 PolarHBondContact O-N 3.38Å; F134-L137 PolarHBondContact O-N 3.33Å; F134-L137 VanDerWaalsContact O-N 3.13Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 3.3Å; L137-A217 WeakPolarHBondContact CD1-O 3.28Å; L137-A220 HydrophobicContact CB-CB 3.97Å; L137-M221 HydrophobicContact CD1-CB 4.08Å; L137-R224 PolarHBondContact O-NE 3.11Å; L137-T243 HydrophobicContact CD1-CG2 4.13Å |
| 138 | A | 78.9 | Confident | 77.9 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 31% | 0.306 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.6 | -48.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F134 L135 R224 | F134-A138 HydrophobicContact CD2-CB 4.1Å; F134-A138 HydrophobicContact CE1-CB 4.36Å; F134-A138 HydrophobicContact CE2-CB 3.72Å; F134-A138 HydrophobicContact CZ-CB 3.87Å; F134-A138 WeakPolarHBondContact O-CB 3.39Å; F134-A138 PolarHBondContact O-N 2.99Å; L135-A138 PolarHBondContact O-N 2.92Å; A138-R224 PolarHBondContact O-NH2 2.88Å |
| 139 | S | 71.1 | Confident | 77.7 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | trans | -139 | 116.7 | -168.3 | 179.7 | 0 | 0 | 0 | 0 | 113.6 | L135 R141 L142 A143 | L135-S139 PolarHBondContact O-N 3.4Å; L135-S139 VanDerWaalsContact O-N 3.16Å; S139-R141 PolarHBondContact O-N 3.29Å; S139-R141 PolarHBondContact OG-N 2.98Å; S139-L142 PolarHBondContact O-N 2.89Å; S139-L142 PolarHBondContact OG-N 3.27Å; S139-A143 VanDerWaalsContact O-CB 3.22Å; S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 3.4Å | ||
| 140 | N | 67.4 | Low | 77.6 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.5 | 173.7 | -74.3 | 3.6 | 0 | 0 | 0 | 112.7 | Q144 R232 | N140-Q144 PolarHBondContact O-N 2.94Å; N140-R232 PolarHBondContact ND2-NH2 2.84Å; N140-R232 PolarHBondContact OD1-NH2 3.04Å |
| 141 | R | 64.3 | Low | 77.5 | Confident | 196 Ų | 196 | 59.3 Ų | 59.3 | 74% | 0.74 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -39.3 | -176.7 | -168.1 | -179.9 | 179.4 | -167.3 | 0.1 | 111.8 | S139 Q144 N147 | S139-R141 PolarHBondContact O-N 3.29Å; S139-R141 PolarHBondContact OG-N 2.98Å; R141-Q144 VanDerWaalsContact O-CB 3.31Å; R141-Q144 WeakPolarHBondContact O-CB 3.41Å; R141-Q144 WeakPolarHBondContact O-CG 3.39Å; R141-Q144 PolarHBondContact O-N 3.43Å; R141-N147 PolarHBondContact O-ND2 3.19Å |
| 142 | L | 61.5 | Low | 77.5 | Confident | 73 Ų | 73 | 58.3 Ų | 58.3 | 38% | 0.382 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -32.5 | 172.5 | -80.4 | 117.9 | 0 | 0 | 0 | 111.8 | L135 S139 Q144 M148 | L135-L142 HydrophobicContact CD2-CD2 4.29Å; S139-L142 PolarHBondContact O-N 2.89Å; S139-L142 PolarHBondContact OG-N 3.27Å; L142-Q144 PolarHBondContact O-N 2.78Å; L142-Q144 VanDerWaalsContact O-N 3.15Å; L142-M148 PolarHBondContact O-N 3.23Å |
| 143 | A | 64.3 | Low | 77.5 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -65.3 | -10.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S139 K145 | S139-A143 VanDerWaalsContact O-CB 3.22Å; S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 3.4Å; A143-K145 PolarHBondContact O-N 3.14Å; A143-K145 VanDerWaalsContact O-N 3.15Å |
| 144 | Q | 69.7 | Low | 77.7 | Confident | 114 Ų | 114 | 66 Ų | 66 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -57 | 122.9 | 168.1 | -70.4 | -173.6 | -24.9 | 0 | 0 | 109.4 | N140 R141 L142 N146 N147 M148 | N140-Q144 PolarHBondContact O-N 2.94Å; R141-Q144 VanDerWaalsContact O-CB 3.31Å; R141-Q144 WeakPolarHBondContact O-CB 3.41Å; R141-Q144 WeakPolarHBondContact O-CG 3.39Å; R141-Q144 PolarHBondContact O-N 3.43Å; L142-Q144 PolarHBondContact O-N 2.78Å; L142-Q144 VanDerWaalsContact O-N 3.15Å; Q144-N146 PolarHBondContact O-N 3.37Å; Q144-N147 PolarHBondContact O-N 3.36Å; Q144-M148 PolarHBondContact O-N 3.23Å; Q144-M148 VanDerWaalsContact O-N 3.12Å |
| 145 | K | 69 | Low | 77.8 | Confident | 127 Ų | 127 | 65.6 Ų | 65.6 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -41.9 | -46.7 | -170.1 | -174.7 | 179 | 178.4 | 173.2 | 0 | 114.1 | R61 A143 F149 | R61-K145 WeakPolarHBondContact O-CE 3.25Å; R61-K145 PolarHBondContact O-NZ 3.4Å; A143-K145 PolarHBondContact O-N 3.14Å; A143-K145 VanDerWaalsContact O-N 3.15Å; K145-F149 HydrophobicContact CD-CE2 4.44Å; K145-F149 HydrophobicContact CG-CD2 3.86Å; K145-F149 HydrophobicContact CG-CE2 3.76Å; K145-F149 WeakPolarHBondContact O-CD2 3.33Å; K145-F149 PolarHBondContact O-N 3.2Å |
| 146 | N | 75.3 | Confident | 77.9 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.9 | -40.8 | -176.4 | -161.7 | 29.8 | 0 | 0 | 0 | 112.8 | Q144 K150 | Q144-N146 PolarHBondContact O-N 3.37Å; N146-K150 WeakPolarHBondContact O-CG 2.93Å; N146-K150 PolarHBondContact O-N 3.32Å |
| 147 | N | 80.8 | Confident | 78.4 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 31% | 0.305 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.3 | -43.8 | 178.4 | -66.8 | -23.7 | 0 | 0 | 0 | 110.5 | R141 Q144 F149 K150 V151 | R141-N147 PolarHBondContact O-ND2 3.19Å; Q144-N147 PolarHBondContact O-N 3.36Å; N147-F149 VanDerWaalsContact C-N 3.35Å; N147-F149 PolarHBondContact O-N 3.1Å; N147-K150 WeakPolarHBondContact O-CB 3.47Å; N147-K150 PolarHBondContact O-N 2.86Å; N147-K150 VanDerWaalsContact O-N 3.14Å; N147-V151 WeakPolarHBondContact O-CG2 3.27Å; N147-V151 PolarHBondContact O-N 2.97Å |
| 148 | M | 81.7 | Confident | 79 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 178.6 | -168.9 | 156.7 | 54.6 | 0 | 0 | 112.3 | P63 E132 L142 Q144 K150 V151 V152 | P63-M148 HydrophobicContact CB-CE 4.39Å; P63-M148 HydrophobicContact CB-CG 3.93Å; P63-M148 HydrophobicContact CG-CB 4.08Å; P63-M148 HydrophobicContact CG-CE 3.09Å; P63-M148 HydrophobicContact CG-CG 3.52Å; P63-M148 HydrophobicContact CG-SD 3.71Å; E132-M148 HydrophobicContact CG-SD 3.89Å; L142-M148 PolarHBondContact O-N 3.23Å; Q144-M148 PolarHBondContact O-N 3.23Å; Q144-M148 VanDerWaalsContact O-N 3.12Å; M148-K150 VanDerWaalsContact C-N 3.35Å; M148-K150 PolarHBondContact O-N 3Å; M148-V151 PolarHBondContact O-N 3.36Å; M148-V152 HydrophobicContact CG-CG2 4.43Å; M148-V152 WeakPolarHBondContact O-CB 3.5Å; M148-V152 VanDerWaalsContact O-CG2 3.27Å; M148-V152 WeakPolarHBondContact O-CG2 3.32Å; M148-V152 PolarHBondContact O-N 3.14Å |
| 149 | F | 83.7 | Confident | 79.5 | Confident | 38 Ų | 38 | 71 Ų | 71 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 174 | -88.8 | -66.5 | 0 | 0 | 0 | 113.1 | R61 P63 F66 K145 N147 K153 | R61-F149 HydrophobicContact CB-CZ 4.42Å; R61-F149 WeakPolarHBondContact O-CE2 3.27Å; P63-F149 HydrophobicContact CB-CD1 4.16Å; P63-F149 HydrophobicContact CB-CE1 4.04Å; P63-F149 HydrophobicContact CB-CG 4.46Å; P63-F149 HydrophobicContact CB-CZ 4.23Å; F66-F149 HydrophobicContact CB-CE1 4.5Å; K145-F149 HydrophobicContact CD-CE2 4.44Å; K145-F149 HydrophobicContact CG-CD2 3.86Å; K145-F149 HydrophobicContact CG-CE2 3.76Å; K145-F149 WeakPolarHBondContact O-CD2 3.33Å; K145-F149 PolarHBondContact O-N 3.2Å; N147-F149 VanDerWaalsContact C-N 3.35Å; N147-F149 PolarHBondContact O-N 3.1Å; F149-K153 WeakPolarHBondContact O-CB 3.5Å; F149-K153 VanDerWaalsContact O-CG 3.25Å; F149-K153 WeakPolarHBondContact O-CG 3.25Å; F149-K153 PolarHBondContact O-N 2.64Å |
| 150 | K | 86 | Confident | 80.5 | Confident | 132 Ų | 132 | 71.1 Ų | 71.1 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.4 | -46.9 | 175.7 | -72.8 | 177.5 | -178.8 | -175.3 | 0 | 111.1 | N146 N147 M148 K153 A154 | N146-K150 WeakPolarHBondContact O-CG 2.93Å; N146-K150 PolarHBondContact O-N 3.32Å; N147-K150 WeakPolarHBondContact O-CB 3.47Å; N147-K150 PolarHBondContact O-N 2.86Å; N147-K150 VanDerWaalsContact O-N 3.14Å; M148-K150 VanDerWaalsContact C-N 3.35Å; M148-K150 PolarHBondContact O-N 3Å; K150-K153 PolarHBondContact O-N 2.97Å; K150-A154 VanDerWaalsContact O-CB 3.27Å; K150-A154 WeakPolarHBondContact O-CB 3.47Å; K150-A154 PolarHBondContact O-N 2.96Å |
| 151 | V | 85.6 | Confident | 81.8 | Confident | 45 Ų | 45 | 71 Ų | 71 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.3 | -52.4 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 110.1 | L135 N147 M148 K153 A154 T155 | L135-V151 HydrophobicContact CD1-CG1 4Å; N147-V151 WeakPolarHBondContact O-CG2 3.27Å; N147-V151 PolarHBondContact O-N 2.97Å; M148-V151 PolarHBondContact O-N 3.36Å; V151-K153 VanDerWaalsContact C-N 3.34Å; V151-K153 PolarHBondContact O-N 3.08Å; V151-A154 PolarHBondContact O-N 3.42Å; V151-T155 WeakPolarHBondContact O-CB 3.45Å; V151-T155 PolarHBondContact O-N 2.92Å; V151-T155 PolarHBondContact O-OG1 2.88Å |
| 152 | V | 86.7 | Confident | 83.2 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | -179.2 | 167.5 | 0 | 0 | 0 | 0 | 112.3 | P63 F66 L128 M148 L156 | P63-V152 HydrophobicContact CB-CG2 4.17Å; F66-V152 HydrophobicContact CD1-CG1 3.63Å; F66-V152 HydrophobicContact CE1-CG1 4.14Å; L128-V152 HydrophobicContact CD1-CB 4.45Å; L128-V152 HydrophobicContact CD1-CG1 4.35Å; L128-V152 HydrophobicContact CD1-CG2 4.18Å; L128-V152 HydrophobicContact CD2-CG1 4.21Å; M148-V152 HydrophobicContact CG-CG2 4.43Å; M148-V152 WeakPolarHBondContact O-CB 3.5Å; M148-V152 VanDerWaalsContact O-CG2 3.27Å; M148-V152 WeakPolarHBondContact O-CG2 3.32Å; M148-V152 PolarHBondContact O-N 3.14Å; V152-L156 HydrophobicContact CG1-CD1 3.98Å; V152-L156 WeakPolarHBondContact O-CB 3.35Å; V152-L156 WeakPolarHBondContact O-CG 3.32Å; V152-L156 PolarHBondContact O-N 3.17Å |
| 153 | K | 87.8 | Confident | 84.8 | Confident | 131 Ų | 131 | 61 Ų | 61 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 176.6 | -74.9 | 179.4 | 178.5 | -171.8 | 0 | 112.5 | F149 K150 V151 L156 A157 | F149-K153 WeakPolarHBondContact O-CB 3.5Å; F149-K153 VanDerWaalsContact O-CG 3.25Å; F149-K153 WeakPolarHBondContact O-CG 3.25Å; F149-K153 PolarHBondContact O-N 2.64Å; K150-K153 PolarHBondContact O-N 2.97Å; V151-K153 VanDerWaalsContact C-N 3.34Å; V151-K153 PolarHBondContact O-N 3.08Å; K153-L156 PolarHBondContact O-N 3.29Å; K153-A157 WeakPolarHBondContact O-CB 3.47Å; K153-A157 PolarHBondContact O-N 2.82Å |
| 154 | A | 89.2 | Confident | 86.3 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K150 V151 L156 A157 V158 | K150-A154 VanDerWaalsContact O-CB 3.27Å; K150-A154 WeakPolarHBondContact O-CB 3.47Å; K150-A154 PolarHBondContact O-N 2.96Å; V151-A154 PolarHBondContact O-N 3.42Å; A154-L156 PolarHBondContact O-N 3.44Å; A154-A157 WeakPolarHBondContact O-CB 3.33Å; A154-A157 PolarHBondContact O-N 3.33Å; A154-V158 WeakPolarHBondContact O-CG2 3.46Å; A154-V158 PolarHBondContact O-N 2.89Å |
| 155 | T | 86.7 | Confident | 87.5 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 26% | 0.258 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 175.4 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | L128 V151 A157 V158 I159 | L128-T155 HydrophobicContact CD1-CG2 3.84Å; V151-T155 WeakPolarHBondContact O-CB 3.45Å; V151-T155 PolarHBondContact O-N 2.92Å; V151-T155 PolarHBondContact O-OG1 2.88Å; T155-A157 VanDerWaalsContact C-N 3.32Å; T155-A157 PolarHBondContact O-N 3.16Å; T155-V158 PolarHBondContact O-N 3.32Å; T155-I159 HydrophobicContact CG2-CD1 3.94Å; T155-I159 HydrophobicContact CG2-CG1 4.48Å; T155-I159 WeakPolarHBondContact O-CB 3.45Å; T155-I159 WeakPolarHBondContact O-CD1 3.2Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 2.92Å |
| 156 | L | 87.4 | Confident | 88.8 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -34 | 175.5 | -78.3 | 163.9 | 0 | 0 | 0 | 113.4 | F66 A70 T125 L128 V152 K153 A154 I159 G160 | F66-L156 HydrophobicContact CD1-CD1 3.77Å; F66-L156 HydrophobicContact CE1-CD1 3.21Å; F66-L156 HydrophobicContact CZ-CD1 4.13Å; A70-L156 HydrophobicContact CB-CD2 4.38Å; T125-L156 HydrophobicContact CG2-CD2 4.48Å; L128-L156 HydrophobicContact CD2-CD1 3.87Å; L128-L156 HydrophobicContact CD2-CD2 3.71Å; L128-L156 HydrophobicContact CD2-CG 3.59Å; V152-L156 HydrophobicContact CG1-CD1 3.98Å; V152-L156 WeakPolarHBondContact O-CB 3.35Å; V152-L156 WeakPolarHBondContact O-CG 3.32Å; V152-L156 PolarHBondContact O-N 3.17Å; K153-L156 PolarHBondContact O-N 3.29Å; A154-L156 PolarHBondContact O-N 3.44Å; L156-I159 HydrophobicContact CD2-CD1 4.24Å; L156-I159 PolarHBondContact O-N 3.21Å; L156-G160 PolarHBondContact O-N 3.49Å |
| 157 | A | 90.8 | Very high | 89.8 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K153 A154 T155 I159 G160 V161 | K153-A157 WeakPolarHBondContact O-CB 3.47Å; K153-A157 PolarHBondContact O-N 2.82Å; A154-A157 WeakPolarHBondContact O-CB 3.33Å; A154-A157 PolarHBondContact O-N 3.33Å; T155-A157 VanDerWaalsContact C-N 3.32Å; T155-A157 PolarHBondContact O-N 3.16Å; A157-I159 VanDerWaalsContact C-N 3.33Å; A157-I159 PolarHBondContact O-N 3.23Å; A157-G160 PolarHBondContact O-N 3.47Å; A157-V161 WeakPolarHBondContact O-CG2 3.29Å; A157-V161 PolarHBondContact O-N 2.97Å |
| 158 | V | 91.9 | Very high | 90.6 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | A154 T155 G160 V161 I162 | A154-V158 WeakPolarHBondContact O-CG2 3.46Å; A154-V158 PolarHBondContact O-N 2.89Å; T155-V158 PolarHBondContact O-N 3.32Å; V158-G160 VanDerWaalsContact C-N 3.31Å; V158-G160 PolarHBondContact O-N 3.36Å; V158-V161 PolarHBondContact O-N 3.24Å; V158-I162 HydrophobicContact CG1-CD1 3.95Å; V158-I162 HydrophobicContact CG1-CG1 4.49Å; V158-I162 WeakPolarHBondContact O-CG1 3.41Å; V158-I162 PolarHBondContact O-N 3.29Å |
| 159 | I | 89.7 | Confident | 91.3 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 174.8 | -70 | 164.8 | 0 | 0 | 0 | 110.9 | L121 T124 T155 L156 A157 V161 I162 S163 | L121-I159 HydrophobicContact CD2-CG2 3.84Å; T124-I159 HydrophobicContact CG2-CD1 4.41Å; T124-I159 HydrophobicContact CG2-CG1 3.94Å; T124-I159 HydrophobicContact CG2-CG2 4.19Å; T124-I159 WeakPolarHBondContact OG1-CG2 3.31Å; T155-I159 HydrophobicContact CG2-CD1 3.94Å; T155-I159 HydrophobicContact CG2-CG1 4.48Å; T155-I159 WeakPolarHBondContact O-CB 3.45Å; T155-I159 WeakPolarHBondContact O-CD1 3.2Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 2.92Å; L156-I159 HydrophobicContact CD2-CD1 4.24Å; L156-I159 PolarHBondContact O-N 3.21Å; A157-I159 VanDerWaalsContact C-N 3.33Å; A157-I159 PolarHBondContact O-N 3.23Å; I159-V161 VanDerWaalsContact C-N 3.3Å; I159-V161 PolarHBondContact O-N 3.37Å; I159-I162 PolarHBondContact O-N 2.87Å; I159-S163 WeakPolarHBondContact O-CB 3.5Å; I159-S163 PolarHBondContact O-N 3.47Å |
| 160 | G | 90.9 | Very high | 91.9 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L156 A157 V158 L164 | L156-G160 PolarHBondContact O-N 3.49Å; A157-G160 PolarHBondContact O-N 3.47Å; V158-G160 VanDerWaalsContact C-N 3.31Å; V158-G160 PolarHBondContact O-N 3.36Å; G160-L164 VanDerWaalsContact O-CB 3.28Å; G160-L164 WeakPolarHBondContact O-CB 3.22Å; G160-L164 PolarHBondContact O-N 3.1Å |
| 161 | V | 94.9 | Very high | 92.5 | Very high | 91 Ų | 91 | 51.8 Ų | 51.8 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.9 | -44.4 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | A157 V158 I159 L164 T165 | A157-V161 WeakPolarHBondContact O-CG2 3.29Å; A157-V161 PolarHBondContact O-N 2.97Å; V158-V161 PolarHBondContact O-N 3.24Å; I159-V161 VanDerWaalsContact C-N 3.3Å; I159-V161 PolarHBondContact O-N 3.37Å; V161-L164 PolarHBondContact O-N 3.01Å; V161-T165 WeakPolarHBondContact O-CB 3.35Å; V161-T165 PolarHBondContact O-N 3.46Å; V161-T165 PolarHBondContact O-OG1 3.26Å |
| 162 | I | 94.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -49.9 | 176.5 | -67.6 | 168 | 0 | 0 | 0 | 109.9 | V120 V158 I159 L164 T165 D166 L202 | V120-I162 HydrophobicContact CG1-CG2 4.09Å; V158-I162 HydrophobicContact CG1-CD1 3.95Å; V158-I162 HydrophobicContact CG1-CG1 4.49Å; V158-I162 WeakPolarHBondContact O-CG1 3.41Å; V158-I162 PolarHBondContact O-N 3.29Å; I159-I162 PolarHBondContact O-N 2.87Å; I162-L164 PolarHBondContact O-N 2.75Å; I162-T165 PolarHBondContact O-N 3.32Å; I162-D166 WeakPolarHBondContact O-CB 3.04Å; I162-D166 PolarHBondContact O-N 2.95Å; I162-L202 HydrophobicContact CG2-CD1 4.16Å; I162-L202 HydrophobicContact CG2-CD2 4.07Å |
| 163 | S | 94 | Very high | 93.5 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -41.7 | -179.5 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | I159 T165 T167 | I159-S163 WeakPolarHBondContact O-CB 3.5Å; I159-S163 PolarHBondContact O-N 3.47Å; S163-T165 VanDerWaalsContact C-N 3.34Å; S163-T165 PolarHBondContact O-N 2.79Å; S163-T167 WeakPolarHBondContact O-CB 3.24Å; S163-T167 PolarHBondContact O-N 2.91Å; S163-T167 PolarHBondContact O-OG1 3.39Å |
| 164 | L | 95.2 | Very high | 94 | Very high | 124 Ų | 124 | 48.9 Ų | 48.9 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 175.6 | -177 | 63 | 0 | 0 | 0 | 111.8 | G160 V161 I162 T167 A168 | G160-L164 VanDerWaalsContact O-CB 3.28Å; G160-L164 WeakPolarHBondContact O-CB 3.22Å; G160-L164 PolarHBondContact O-N 3.1Å; V161-L164 PolarHBondContact O-N 3.01Å; I162-L164 PolarHBondContact O-N 2.75Å; L164-T167 PolarHBondContact O-N 3.09Å; L164-A168 WeakPolarHBondContact O-CB 3Å; L164-A168 PolarHBondContact O-N 3.11Å |
| 165 | T | 96.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 47% | 0.466 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 179.5 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | V161 I162 S163 T167 A168 L169 | V161-T165 WeakPolarHBondContact O-CB 3.35Å; V161-T165 PolarHBondContact O-N 3.46Å; V161-T165 PolarHBondContact O-OG1 3.26Å; I162-T165 PolarHBondContact O-N 3.32Å; S163-T165 VanDerWaalsContact C-N 3.34Å; S163-T165 PolarHBondContact O-N 2.79Å; T165-T167 VanDerWaalsContact C-N 3.32Å; T165-T167 PolarHBondContact O-N 2.93Å; T165-A168 PolarHBondContact O-N 2.94Å; T165-A168 VanDerWaalsContact O-N 3.16Å; T165-L169 HydrophobicContact CG2-CD1 4.37Å; T165-L169 WeakPolarHBondContact O-CG 3.48Å; T165-L169 PolarHBondContact O-N 3.24Å |
| 166 | D | 96.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 175.7 | -178.2 | 59 | 0 | 0 | 0 | 111.4 | I162 A168 L169 C170 H199 L202 | I162-D166 WeakPolarHBondContact O-CB 3.04Å; I162-D166 PolarHBondContact O-N 2.95Å; D166-A168 PolarHBondContact O-N 3.36Å; D166-L169 PolarHBondContact O-N 3.02Å; D166-C170 PolarHBondContact O-N 2.98Å; D166-H199 VanDerWaalsContact CG-ND1 3.33Å; D166-H199 IonicContact OD1-CG 3.68Å; D166-H199 IonicContact OD1-ND1 2.7Å; D166-H199 PolarHBondContact OD1-ND1 2.98Å; D166-H199 VanDerWaalsContact OD1-ND1 3.11Å; D166-H199 IonicContact OD2-CE1 3.96Å; D166-H199 PolarHBondContact OD2-CE1 3.46Å; D166-H199 IonicContact OD2-ND1 3.61Å; D166-H199 PolarHBondContact OD2-ND1 3.23Å; D166-L202 HydrophobicContact CB-CD2 4.12Å |
| 167 | T | 95.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 51.1 Ų | 51.1 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 174.9 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | T113 I117 S163 L164 T165 L169 C170 W171 | T113-T167 HydrophobicContact CG2-CG2 3.59Å; I117-T167 HydrophobicContact CD1-CG2 4.19Å; I117-T167 HydrophobicContact CG1-CG2 4.32Å; I117-T167 WeakPolarHBondContact CG1-OG1 3.35Å; S163-T167 WeakPolarHBondContact O-CB 3.24Å; S163-T167 PolarHBondContact O-N 2.91Å; S163-T167 PolarHBondContact O-OG1 3.39Å; L164-T167 PolarHBondContact O-N 3.09Å; T165-T167 VanDerWaalsContact C-N 3.32Å; T165-T167 PolarHBondContact O-N 2.93Å; T167-L169 VanDerWaalsContact C-N 3.3Å; T167-L169 PolarHBondContact O-N 3.33Å; T167-C170 VanDerWaalsContact O-CB 3.26Å; T167-C170 WeakPolarHBondContact O-CB 2.93Å; T167-C170 PolarHBondContact O-N 2.93Å; T167-W171 VanDerWaalsContact O-CD1 3.27Å; T167-W171 PolarHBondContact O-N 3.13Å |
| 168 | A | 96.9 | Very high | 95.3 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L164 T165 D166 W171 H172 | L164-A168 WeakPolarHBondContact O-CB 3Å; L164-A168 PolarHBondContact O-N 3.11Å; T165-A168 PolarHBondContact O-N 2.94Å; T165-A168 VanDerWaalsContact O-N 3.16Å; D166-A168 PolarHBondContact O-N 3.36Å; A168-W171 PolarHBondContact O-N 3.49Å; A168-H172 WeakPolarHBondContact O-CB 3.34Å; A168-H172 PolarHBondContact O-N 2.99Å |
| 169 | L | 97.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 174 | -68.2 | 173.9 | 0 | 0 | 0 | 112 | T165 D166 T167 H172 S173 Y195 M198 | T165-L169 HydrophobicContact CG2-CD1 4.37Å; T165-L169 WeakPolarHBondContact O-CG 3.48Å; T165-L169 PolarHBondContact O-N 3.24Å; D166-L169 PolarHBondContact O-N 3.02Å; T167-L169 VanDerWaalsContact C-N 3.3Å; T167-L169 PolarHBondContact O-N 3.33Å; L169-H172 PolarHBondContact O-N 3.02Å; L169-S173 WeakPolarHBondContact O-CB 3.43Å; L169-S173 PolarHBondContact O-N 3.46Å; L169-Y195 HydrophobicContact CB-CD2 4.09Å; L169-Y195 HydrophobicContact CB-CE2 4.14Å; L169-M198 HydrophobicContact CB-CE 4.39Å; L169-M198 HydrophobicContact CD1-CE 3.86Å |
| 170 | C | 96.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.6 | -51.6 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | D166 T167 H172 S173 A174 Y195 | D166-C170 PolarHBondContact O-N 2.98Å; T167-C170 VanDerWaalsContact O-CB 3.26Å; T167-C170 WeakPolarHBondContact O-CB 2.93Å; T167-C170 PolarHBondContact O-N 2.93Å; C170-H172 PolarHBondContact O-N 3.29Å; C170-S173 WeakPolarHBondContact O-CB 3.46Å; C170-S173 PolarHBondContact O-N 2.97Å; C170-A174 PolarHBondContact O-N 3.35Å; C170-Y195 VanDerWaalsContact CA-CE2 3.4Å; C170-Y195 HydrophobicContact CB-CD2 4.5Å; C170-Y195 HydrophobicContact CB-CE1 4.06Å; C170-Y195 HydrophobicContact CB-CE2 3.66Å; C170-Y195 VanDerWaalsContact CB-CZ 3.41Å; C170-Y195 VanDerWaalsContact CB-OH 3.32Å; C170-Y195 WeakPolarHBondContact CB-OH 3.31Å; C170-Y195 VanDerWaalsContact N-CE2 3.27Å |
| 171 | W | 97.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 29% | 0.288 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 177.2 | -85.5 | 78.4 | 0 | 0 | 0 | 112.5 | I103 M106 L107 T113 T167 A168 S173 A174 A175 | I103-W171 HydrophobicContact CD1-CE3 3.61Å; I103-W171 HydrophobicContact CD1-CZ3 3.75Å; M106-W171 HydrophobicContact CB-CD2 4.37Å; M106-W171 HydrophobicContact CB-CE3 4.24Å; M106-W171 HydrophobicContact CB-CH2 3.89Å; M106-W171 HydrophobicContact CB-CZ2 4.03Å; M106-W171 HydrophobicContact CB-CZ3 4Å; M106-W171 HydrophobicContact CE-CD2 4.18Å; M106-W171 HydrophobicContact CE-CG 4.08Å; M106-W171 HydrophobicContact CE-CZ2 4.47Å; L107-W171 HydrophobicContact CD2-CH2 3.86Å; L107-W171 HydrophobicContact CD2-CZ3 3.96Å; L107-W171 HydrophobicContact CG-CH2 4.15Å; L107-W171 HydrophobicContact CG-CZ3 4.12Å; T113-W171 WeakPolarHBondContact OG1-CZ2 3.2Å; T113-W171 PolarHBondContact OG1-NE1 2.72Å; T167-W171 VanDerWaalsContact O-CD1 3.27Å; T167-W171 PolarHBondContact O-N 3.13Å; A168-W171 PolarHBondContact O-N 3.49Å; W171-S173 VanDerWaalsContact C-N 3.33Å; W171-S173 PolarHBondContact O-N 3.47Å; W171-A174 PolarHBondContact O-N 2.81Å; W171-A175 WeakPolarHBondContact O-CB 3.27Å; W171-A175 PolarHBondContact O-N 3.12Å |
| 172 | H | 97.5 | Very high | 95.5 | Very high | 109 Ų | 109 | 60.2 Ų | 60.2 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 176.1 | -176.2 | 69.8 | 0 | 0 | 0 | 111 | A168 L169 C170 A174 A175 Q176 | A168-H172 WeakPolarHBondContact O-CB 3.34Å; A168-H172 PolarHBondContact O-N 2.99Å; L169-H172 PolarHBondContact O-N 3.02Å; C170-H172 PolarHBondContact O-N 3.29Å; H172-A174 PolarHBondContact O-N 3.12Å; H172-A175 WeakPolarHBondContact O-CB 3.49Å; H172-A175 PolarHBondContact O-N 3.24Å; H172-Q176 PolarHBondContact CE1-NE2 3.24Å; H172-Q176 VanDerWaalsContact CE1-NE2 3.26Å; H172-Q176 WeakPolarHBondContact O-CG 3.45Å; H172-Q176 PolarHBondContact O-N 3.26Å; H172-Q176 VanDerWaalsContact O-N 3.1Å |
| 173 | S | 96.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | L169 C170 W171 A175 Q176 L177 S192 | L169-S173 WeakPolarHBondContact O-CB 3.43Å; L169-S173 PolarHBondContact O-N 3.46Å; C170-S173 WeakPolarHBondContact O-CB 3.46Å; C170-S173 PolarHBondContact O-N 2.97Å; W171-S173 VanDerWaalsContact C-N 3.33Å; W171-S173 PolarHBondContact O-N 3.47Å; S173-A175 VanDerWaalsContact C-N 3.26Å; S173-A175 PolarHBondContact O-N 3.42Å; S173-Q176 PolarHBondContact O-N 3.23Å; S173-L177 PolarHBondContact O-N 2.96Å; S173-S192 VanDerWaalsContact OG-CB 3.22Å; S173-S192 WeakPolarHBondContact OG-CB 3.26Å; S173-S192 PolarHBondContact OG-N 3.32Å; S173-S192 PolarHBondContact OG-OG 3.43Å |
| 174 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | P102 M106 C170 W171 H172 Q176 L177 V190 | P102-A174 HydrophobicContact CB-CB 4.29Å; M106-A174 HydrophobicContact CG-CB 3.6Å; C170-A174 PolarHBondContact O-N 3.35Å; W171-A174 PolarHBondContact O-N 2.81Å; H172-A174 PolarHBondContact O-N 3.12Å; A174-Q176 VanDerWaalsContact C-N 3.34Å; A174-Q176 PolarHBondContact O-N 3.4Å; A174-L177 PolarHBondContact O-N 2.69Å; A174-V190 WeakPolarHBondContact CA-O 3.46Å; A174-V190 HydrophobicContact CB-CG1 4.2Å; A174-V190 VanDerWaalsContact CB-O 3.31Å; A174-V190 WeakPolarHBondContact CB-O 3.41Å |
| 175 | A | 97 | Very high | 95 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.8 | -28.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I103 W171 H172 S173 K178 | I103-A175 HydrophobicContact CD1-CB 4.2Å; W171-A175 WeakPolarHBondContact O-CB 3.27Å; W171-A175 PolarHBondContact O-N 3.12Å; H172-A175 WeakPolarHBondContact O-CB 3.49Å; H172-A175 PolarHBondContact O-N 3.24Å; S173-A175 VanDerWaalsContact C-N 3.26Å; S173-A175 PolarHBondContact O-N 3.42Å; A175-K178 PolarHBondContact O-NZ 3.02Å |
| 176 | Q | 96.5 | Very high | 94.6 | Very high | 116 Ų | 116 | 56 Ų | 56 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -75.4 | -29.6 | 177.6 | -66.8 | -54.6 | -33.7 | 0 | 0 | 112.7 | H172 S173 A174 K178 | H172-Q176 PolarHBondContact CE1-NE2 3.24Å; H172-Q176 VanDerWaalsContact CE1-NE2 3.26Å; H172-Q176 WeakPolarHBondContact O-CG 3.45Å; H172-Q176 PolarHBondContact O-N 3.26Å; H172-Q176 VanDerWaalsContact O-N 3.1Å; S173-Q176 PolarHBondContact O-N 3.23Å; A174-Q176 VanDerWaalsContact C-N 3.34Å; A174-Q176 PolarHBondContact O-N 3.4Å; Q176-K178 PolarHBondContact O-N 3.04Å |
| 177 | L | 94.4 | Very high | 94.1 | Very high | 35 Ų | 35 | 59 Ų | 59 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | trans | -71.5 | 117.3 | 178.5 | -65.5 | 177.7 | 0 | 0 | 0 | 111.1 | P102 S173 A174 | P102-L177 HydrophobicContact CB-CB 4.2Å; P102-L177 HydrophobicContact CB-CD1 4.42Å; P102-L177 HydrophobicContact CG-CB 3.73Å; P102-L177 HydrophobicContact CG-CD1 4.23Å; S173-L177 PolarHBondContact O-N 2.96Å; A174-L177 PolarHBondContact O-N 2.69Å | ||
| 178 | K | 93.7 | Very high | 93.6 | Very high | 158 Ų | 158 | 62.3 Ų | 62.3 | 69% | 0.687 | 32% | 0.317 | S | S | * | . | trans | -103.5 | 0.2 | -178 | -56.6 | -51.5 | -176.3 | -167.9 | 0 | 114.7 | A175 Q176 | A175-K178 PolarHBondContact O-NZ 3.02Å; Q176-K178 PolarHBondContact O-N 3.04Å | ||
| 179 | H | 93.7 | Very high | 93.2 | Very high | 100 Ų | 100 | 62.7 Ų | 62.7 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -84.2 | 152.7 | 175.4 | 67.5 | -88.9 | 0 | 0 | 0 | 110.4 | P102 I181 | P102-H179 WeakPolarHBondContact CD-O 3.49Å; H179-I181 VanDerWaalsContact CD2-CG2 3.41Å; H179-I181 WeakPolarHBondContact CD2-CG2 3.26Å; H179-I181 VanDerWaalsContact NE2-CG2 3.32Å; H179-I181 WeakPolarHBondContact NE2-CG2 3.17Å |
| 180 | R | 93.7 | Very high | 93 | Very high | 153 Ų | 153 | 59.1 Ų | 59.1 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | trans | -87.3 | 137.4 | 176.8 | -71.6 | -177.7 | 170.8 | -92.1 | -6 | 110 | T99 L100 | T99-R180 PolarHBondContact O-NH1 3.26Å; L100-R180 CarbonylContact O-C 3.6Å; L100-R180 WeakPolarHBondContact O-CA 3.48Å | ||
| 181 | I | 93.2 | Very high | 92.9 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 170.9 | 179.9 | 61.5 | 167.3 | 0 | 0 | 0 | 110.7 | T99 L100 P102 H179 E189 V190 | T99-I181 CarbonylContact C-O 3.25Å; T99-I181 WeakPolarHBondContact CA-O 3.45Å; T99-I181 WeakPolarHBondContact CB-O 3.4Å; L100-I181 PolarHBondContact N-O 2.88Å; L100-I181 WeakPolarHBondContact O-CG1 3.43Å; L100-I181 PolarHBondContact O-N 2.8Å; P102-I181 HydrophobicContact CB-CD1 4.35Å; P102-I181 HydrophobicContact CG-CD1 4.05Å; P102-I181 HydrophobicContact CG-CG1 4.23Å; P102-I181 HydrophobicContact CG-CG2 4.33Å; H179-I181 VanDerWaalsContact CD2-CG2 3.41Å; H179-I181 WeakPolarHBondContact CD2-CG2 3.26Å; H179-I181 VanDerWaalsContact NE2-CG2 3.32Å; H179-I181 WeakPolarHBondContact NE2-CG2 3.17Å; I181-E189 HydrophobicContact CB-CB 4.27Å; I181-E189 HydrophobicContact CD1-CB 4.03Å; I181-E189 HydrophobicContact CG2-CB 4.11Å; I181-V190 HydrophobicContact CD1-CB 4.35Å; I181-V190 HydrophobicContact CD1-CG2 3.55Å |
| 182 | S | 92 | Very high | 92.8 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 36% | 0.357 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 139.2 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | V184 C185 | S182-V184 PolarHBondContact O-N 2.88Å; S182-V184 WeakPolarHBondContact OG-CG2 3.41Å; S182-V184 PolarHBondContact OG-N 3.41Å; S182-C185 PolarHBondContact O-N 3.2Å |
| 183 | A | 91.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R88 L92 Y98 L100 C185 | R88-A183 PolarHBondContact NH2-O 3.46Å; L92-A183 WeakPolarHBondContact CD1-O 3.43Å; Y98-A183 HydrophobicContact CD1-CB 4.03Å; Y98-A183 HydrophobicContact CD2-CB 3.6Å; Y98-A183 HydrophobicContact CE1-CB 3.75Å; Y98-A183 HydrophobicContact CE2-CB 3.29Å; Y98-A183 HydrophobicContact CG-CB 3.96Å; Y98-A183 VanDerWaalsContact O-CB 3.27Å; Y98-A183 WeakPolarHBondContact O-CB 3.23Å; Y98-A183 PolarHBondContact O-N 3.48Å; L100-A183 HydrophobicContact CD1-CB 3.95Å; L100-A183 HydrophobicContact CG-CB 4.11Å; A183-C185 PolarHBondContact O-N 2.89Å; A183-C185 PolarHBondContact O-SG 3.48Å |
| 184 | V | 89.7 | Confident | 92.3 | Very high | 33 Ų | 33 | 62.6 Ų | 62.6 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.3 | 168.1 | 177.6 | 0 | 0 | 0 | 0 | 111 | R89 S182 R186 | R89-V184 HydrophobicContact CG-CG1 4.26Å; S182-V184 PolarHBondContact O-N 2.88Å; S182-V184 WeakPolarHBondContact OG-CG2 3.41Å; S182-V184 PolarHBondContact OG-N 3.41Å; V184-R186 HydrophobicContact CG1-CG 4.22Å |
| 185 | C | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | 54.5 | 65.4 | 176.6 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | C105 L112 S182 A183 V190 | C105-C185 VanDerWaalsContact CA-SG 3.56Å; C105-C185 HydrophobicContact CB-CB 3.67Å; C105-C185 WeakPolarHBondContact CB-SG 3.11Å; C105-C185 WeakPolarHBondContact SG-CB 3.36Å; C105-C185 CovalentContact SG-SG 2.04Å; C105-C185 PolarHBondContact SG-SG 3.03Å; L112-C185 HydrophobicContact CD1-CB 3.92Å; S182-C185 PolarHBondContact O-N 3.2Å; A183-C185 PolarHBondContact O-N 2.89Å; A183-C185 PolarHBondContact O-SG 3.48Å; C185-V190 HydrophobicContact CB-CG2 4Å | ||
| 186 | R | 87.4 | Confident | 92 | Very high | 135 Ų | 135 | 67.5 Ų | 67.5 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | trans | -70.5 | 139.5 | 174.1 | -69.2 | 179.2 | 175.5 | 174.8 | -3.5 | 109.6 | V184 A188 E189 V190 | V184-R186 HydrophobicContact CG1-CG 4.22Å; R186-A188 VanDerWaalsContact C-N 3.26Å; R186-A188 PolarHBondContact O-N 2.94Å; R186-E189 HydrophobicContact CB-CG 4.28Å; R186-E189 PolarHBondContact O-N 3.25Å; R186-V190 WeakPolarHBondContact O-CG2 3.25Å; R186-V190 PolarHBondContact O-N 2.88Å | ||
| 187 | N | 85.7 | Confident | 91.8 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 35% | 0.353 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -51.1 | -46.3 | -176.4 | -70.6 | 0.8 | 0 | 0 | 0 | 112.1 | L112 E189 V190 | L112-N187 WeakPolarHBondContact CD2-OD1 3.46Å; N187-E189 PolarHBondContact O-N 2.97Å; N187-V190 PolarHBondContact O-N 3.37Å |
| 188 | A | 85.6 | Confident | 91.8 | Very high | 82 Ų | 82 | 68.4 Ų | 68.4 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.5 | -20.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R186 | R186-A188 VanDerWaalsContact C-N 3.26Å; R186-A188 PolarHBondContact O-N 2.94Å |
| 189 | E | 88.8 | Confident | 91.8 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -95 | -22.8 | 179.3 | -62.7 | 174.1 | 176.8 | 0 | 0 | 112.2 | I181 R186 N187 | I181-E189 HydrophobicContact CB-CB 4.27Å; I181-E189 HydrophobicContact CD1-CB 4.03Å; I181-E189 HydrophobicContact CG2-CB 4.11Å; R186-E189 HydrophobicContact CB-CG 4.28Å; R186-E189 PolarHBondContact O-N 3.25Å; N187-E189 PolarHBondContact O-N 2.97Å |
| 190 | V | 93.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -85.4 | -25.1 | -171.8 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | P102 C105 M106 L112 A174 I181 C185 R186 N187 | P102-V190 HydrophobicContact CB-CG1 4.32Å; P102-V190 WeakPolarHBondContact CB-O 3.14Å; C105-V190 HydrophobicContact CB-CG1 4.4Å; C105-V190 HydrophobicContact CB-CG2 4.01Å; M106-V190 HydrophobicContact CG-CG1 3.72Å; M106-V190 HydrophobicContact SD-CG1 3.58Å; M106-V190 VanDerWaalsContact SD-CG1 3.58Å; L112-V190 HydrophobicContact CD1-CG1 4.12Å; L112-V190 HydrophobicContact CD1-CG2 3.99Å; A174-V190 WeakPolarHBondContact CA-O 3.46Å; A174-V190 HydrophobicContact CB-CG1 4.2Å; A174-V190 VanDerWaalsContact CB-O 3.31Å; A174-V190 WeakPolarHBondContact CB-O 3.41Å; I181-V190 HydrophobicContact CD1-CB 4.35Å; I181-V190 HydrophobicContact CD1-CG2 3.55Å; C185-V190 HydrophobicContact CB-CG2 4Å; R186-V190 WeakPolarHBondContact O-CG2 3.25Å; R186-V190 PolarHBondContact O-N 2.88Å; N187-V190 PolarHBondContact O-N 3.37Å |
| 191 | V | 94.7 | Very high | 91.5 | Very high | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -119.7 | 159.5 | -178.5 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | Y195 | V191-Y195 HydrophobicContact CB-CD1 3.53Å; V191-Y195 HydrophobicContact CB-CE1 4.11Å; V191-Y195 HydrophobicContact CB-CG 4.36Å; V191-Y195 HydrophobicContact CG1-CD1 3.86Å; V191-Y195 HydrophobicContact CG1-CE1 3.98Å; V191-Y195 HydrophobicContact CG2-CD1 3.61Å; V191-Y195 HydrophobicContact CG2-CE1 4.06Å |
| 192 | S | 94.5 | Very high | 91.5 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | trans | -72.1 | 152 | 175.6 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | S173 A194 Y195 Y196 | S173-S192 VanDerWaalsContact OG-CB 3.22Å; S173-S192 WeakPolarHBondContact OG-CB 3.26Å; S173-S192 PolarHBondContact OG-N 3.32Å; S173-S192 PolarHBondContact OG-OG 3.43Å; S192-A194 VanDerWaalsContact C-N 3.27Å; S192-A194 PolarHBondContact O-N 2.92Å; S192-Y195 PolarHBondContact O-N 3.21Å; S192-Y195 VanDerWaalsContact O-N 3.14Å; S192-Y195 PolarHBondContact OG-N 2.88Å; S192-Y196 PolarHBondContact O-N 2.64Å | ||
| 193 | E | 91.7 | Very high | 91.5 | Very high | 151 Ų | 151 | 54.4 Ų | 54.4 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -54.6 | -44.4 | 172.5 | -172.9 | 174.1 | -167.2 | 0 | 0 | 111.4 | Y195 Y196 E197 | E193-Y195 VanDerWaalsContact C-N 3.32Å; E193-Y195 PolarHBondContact O-N 2.69Å; E193-Y196 WeakPolarHBondContact O-CB 3.48Å; E193-Y196 PolarHBondContact O-N 3.42Å; E193-E197 WeakPolarHBondContact O-CG 3.24Å; E193-E197 PolarHBondContact O-N 3.28Å |
| 194 | A | 93.3 | Very high | 91.4 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.2 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S192 M198 | S192-A194 VanDerWaalsContact C-N 3.27Å; S192-A194 PolarHBondContact O-N 2.92Å; A194-M198 WeakPolarHBondContact O-CB 3.13Å; A194-M198 PolarHBondContact O-N 3.48Å; A194-M198 VanDerWaalsContact O-N 3.16Å |
| 195 | Y | 95.6 | Very high | 91.5 | Very high | 17 Ų | 17 | 57 Ų | 57 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 173.1 | 164.9 | -90.2 | 0 | 0 | 0 | 111 | L169 C170 V191 S192 E193 E197 M198 H199 | L169-Y195 HydrophobicContact CB-CD2 4.09Å; L169-Y195 HydrophobicContact CB-CE2 4.14Å; C170-Y195 VanDerWaalsContact CA-CE2 3.4Å; C170-Y195 HydrophobicContact CB-CD2 4.5Å; C170-Y195 HydrophobicContact CB-CE1 4.06Å; C170-Y195 HydrophobicContact CB-CE2 3.66Å; C170-Y195 VanDerWaalsContact CB-CZ 3.41Å; C170-Y195 VanDerWaalsContact CB-OH 3.32Å; C170-Y195 WeakPolarHBondContact CB-OH 3.31Å; C170-Y195 VanDerWaalsContact N-CE2 3.27Å; V191-Y195 HydrophobicContact CB-CD1 3.53Å; V191-Y195 HydrophobicContact CB-CE1 4.11Å; V191-Y195 HydrophobicContact CB-CG 4.36Å; V191-Y195 HydrophobicContact CG1-CD1 3.86Å; V191-Y195 HydrophobicContact CG1-CE1 3.98Å; V191-Y195 HydrophobicContact CG2-CD1 3.61Å; V191-Y195 HydrophobicContact CG2-CE1 4.06Å; S192-Y195 PolarHBondContact O-N 3.21Å; S192-Y195 VanDerWaalsContact O-N 3.14Å; S192-Y195 PolarHBondContact OG-N 2.88Å; E193-Y195 VanDerWaalsContact C-N 3.32Å; E193-Y195 PolarHBondContact O-N 2.69Å; Y195-E197 PolarHBondContact O-N 3.23Å; Y195-M198 HydrophobicContact CD2-CE 3.7Å; Y195-M198 HydrophobicContact CE2-CE 3.82Å; Y195-M198 PolarHBondContact O-N 3.5Å; Y195-H199 HydrophobicContact CE1-CB 4.22Å; Y195-H199 HydrophobicContact CE2-CB 4.47Å; Y195-H199 WeakPolarHBondContact O-CB 3.2Å; Y195-H199 PolarHBondContact O-N 2.77Å |
| 196 | Y | 91.8 | Very high | 91.5 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 46% | 0.459 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | -179.1 | -178.5 | -99.5 | 0 | 0 | 0 | 111.2 | S192 E193 H199 M200 | S192-Y196 PolarHBondContact O-N 2.64Å; E193-Y196 WeakPolarHBondContact O-CB 3.48Å; E193-Y196 PolarHBondContact O-N 3.42Å; Y196-H199 PolarHBondContact O-N 2.89Å; Y196-M200 HydrophobicContact CD1-CG 4.3Å; Y196-M200 HydrophobicContact CE1-CG 3.94Å; Y196-M200 HydrophobicContact CE2-CG 4.33Å; Y196-M200 WeakPolarHBondContact O-CB 3.32Å; Y196-M200 VanDerWaalsContact O-CG 3.26Å; Y196-M200 WeakPolarHBondContact O-CG 3.46Å; Y196-M200 PolarHBondContact O-N 3.01Å |
| 197 | E | 90.9 | Very high | 91.5 | Very high | 104 Ų | 104 | 51.9 Ų | 51.9 | 49% | 0.486 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 174.1 | -71.1 | -177.3 | 165.6 | 0 | 0 | 112.1 | E193 Y195 H199 M200 I201 | E193-E197 WeakPolarHBondContact O-CG 3.24Å; E193-E197 PolarHBondContact O-N 3.28Å; Y195-E197 PolarHBondContact O-N 3.23Å; E197-H199 VanDerWaalsContact C-N 3.34Å; E197-H199 PolarHBondContact O-N 2.94Å; E197-M200 PolarHBondContact O-N 3.16Å; E197-I201 VanDerWaalsContact O-CG1 3.26Å; E197-I201 WeakPolarHBondContact O-CG1 3.28Å; E197-I201 PolarHBondContact O-N 3.27Å |
| 198 | M | 94.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 178.7 | -178.7 | -76.5 | -57.2 | 0 | 0 | 111.6 | L169 A194 Y195 I201 L202 | L169-M198 HydrophobicContact CB-CE 4.39Å; L169-M198 HydrophobicContact CD1-CE 3.86Å; A194-M198 WeakPolarHBondContact O-CB 3.13Å; A194-M198 PolarHBondContact O-N 3.48Å; A194-M198 VanDerWaalsContact O-N 3.16Å; Y195-M198 HydrophobicContact CD2-CE 3.7Å; Y195-M198 HydrophobicContact CE2-CE 3.82Å; Y195-M198 PolarHBondContact O-N 3.5Å; M198-I201 PolarHBondContact O-N 3.08Å; M198-L202 WeakPolarHBondContact O-CB 3.33Å; M198-L202 PolarHBondContact O-N 3.48Å |
| 199 | H | 93.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 177.8 | 179.6 | 81.1 | 0 | 0 | 0 | 111.2 | D119 D166 Y195 Y196 E197 I201 L202 V203 | D119-H199 IonicContact OD2-NE2 3.11Å; D166-H199 VanDerWaalsContact CG-ND1 3.33Å; D166-H199 IonicContact OD1-CG 3.68Å; D166-H199 IonicContact OD1-ND1 2.7Å; D166-H199 PolarHBondContact OD1-ND1 2.98Å; D166-H199 VanDerWaalsContact OD1-ND1 3.11Å; D166-H199 IonicContact OD2-CE1 3.96Å; D166-H199 PolarHBondContact OD2-CE1 3.46Å; D166-H199 IonicContact OD2-ND1 3.61Å; D166-H199 PolarHBondContact OD2-ND1 3.23Å; Y195-H199 HydrophobicContact CE1-CB 4.22Å; Y195-H199 HydrophobicContact CE2-CB 4.47Å; Y195-H199 WeakPolarHBondContact O-CB 3.2Å; Y195-H199 PolarHBondContact O-N 2.77Å; Y196-H199 PolarHBondContact O-N 2.89Å; E197-H199 VanDerWaalsContact C-N 3.34Å; E197-H199 PolarHBondContact O-N 2.94Å; H199-I201 VanDerWaalsContact C-N 3.34Å; H199-I201 PolarHBondContact O-N 2.77Å; H199-L202 WeakPolarHBondContact O-CB 3.43Å; H199-L202 PolarHBondContact O-N 2.84Å; H199-V203 WeakPolarHBondContact O-CG2 3.28Å; H199-V203 PolarHBondContact O-N 3.3Å |
| 200 | M | 90.6 | Very high | 91.8 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 15% | 0.148 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 176.9 | -70.8 | -63.6 | -73.6 | 0 | 0 | 111.8 | Y196 E197 T204 L261 S264 F265 | Y196-M200 HydrophobicContact CD1-CG 4.3Å; Y196-M200 HydrophobicContact CE1-CG 3.94Å; Y196-M200 HydrophobicContact CE2-CG 4.33Å; Y196-M200 WeakPolarHBondContact O-CB 3.32Å; Y196-M200 VanDerWaalsContact O-CG 3.26Å; Y196-M200 WeakPolarHBondContact O-CG 3.46Å; Y196-M200 PolarHBondContact O-N 3.01Å; E197-M200 PolarHBondContact O-N 3.16Å; M200-T204 WeakPolarHBondContact O-CB 3.35Å; M200-T204 PolarHBondContact O-N 2.84Å; M200-T204 PolarHBondContact O-OG1 2.65Å; M200-L261 HydrophobicContact CE-CD2 3.6Å; M200-L261 HydrophobicContact SD-CD2 4.3Å; M200-S264 WeakPolarHBondContact CE-OG 3.26Å; M200-F265 HydrophobicContact CB-CZ 4.01Å |
| 201 | I | 92 | Very high | 91.5 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 46% | 0.456 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 174.9 | -69.8 | 166.4 | 0 | 0 | 0 | 110.2 | E197 M198 H199 T204 V205 F265 | E197-I201 VanDerWaalsContact O-CG1 3.26Å; E197-I201 WeakPolarHBondContact O-CG1 3.28Å; E197-I201 PolarHBondContact O-N 3.27Å; M198-I201 PolarHBondContact O-N 3.08Å; H199-I201 VanDerWaalsContact C-N 3.34Å; H199-I201 PolarHBondContact O-N 2.77Å; I201-T204 PolarHBondContact O-N 3.38Å; I201-V205 HydrophobicContact CG2-CG2 4.27Å; I201-V205 WeakPolarHBondContact O-CB 3.46Å; I201-V205 VanDerWaalsContact O-CG2 3.3Å; I201-V205 WeakPolarHBondContact O-CG2 3.48Å; I201-V205 PolarHBondContact O-N 2.87Å; I201-F265 HydrophobicContact CG1-CE1 3.72Å; I201-F265 HydrophobicContact CG1-CZ 3.81Å |
| 202 | L | 93.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.4 | -54.4 | 178.9 | 173.3 | 63.9 | 0 | 0 | 0 | 111.4 | V120 I162 D166 M198 H199 T204 V205 L206 | V120-L202 HydrophobicContact CG2-CD2 4.29Å; I162-L202 HydrophobicContact CG2-CD1 4.16Å; I162-L202 HydrophobicContact CG2-CD2 4.07Å; D166-L202 HydrophobicContact CB-CD2 4.12Å; M198-L202 WeakPolarHBondContact O-CB 3.33Å; M198-L202 PolarHBondContact O-N 3.48Å; H199-L202 WeakPolarHBondContact O-CB 3.43Å; H199-L202 PolarHBondContact O-N 2.84Å; L202-T204 PolarHBondContact O-N 2.95Å; L202-V205 PolarHBondContact O-N 3.23Å; L202-L206 HydrophobicContact CD1-CD1 3.85Å; L202-L206 HydrophobicContact CD1-CG 4.2Å; L202-L206 HydrophobicContact CG-CD1 3.96Å; L202-L206 WeakPolarHBondContact O-CB 3.42Å; L202-L206 VanDerWaalsContact O-CG 3.23Å; L202-L206 WeakPolarHBondContact O-CG 3.32Å; L202-L206 PolarHBondContact O-N 2.91Å |
| 203 | V | 91.9 | Very high | 91 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.3 | -40.4 | -179.8 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | D119 V123 H199 L206 A207 L261 | D119-V203 HydrophobicContact CB-CG2 4.11Å; V123-V203 HydrophobicContact CG2-CG1 3.81Å; H199-V203 WeakPolarHBondContact O-CG2 3.28Å; H199-V203 PolarHBondContact O-N 3.3Å; V203-L206 PolarHBondContact O-N 3.07Å; V203-A207 WeakPolarHBondContact O-CB 3.29Å; V203-A207 PolarHBondContact O-N 3.43Å; V203-L261 HydrophobicContact CG1-CD1 3.97Å; V203-L261 HydrophobicContact CG1-CD2 4.44Å |
| 204 | T | 89.6 | Confident | 90.6 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -47.4 | 178.9 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | M200 I201 L202 L206 A207 Y208 F265 | M200-T204 WeakPolarHBondContact O-CB 3.35Å; M200-T204 PolarHBondContact O-N 2.84Å; M200-T204 PolarHBondContact O-OG1 2.65Å; I201-T204 PolarHBondContact O-N 3.38Å; L202-T204 PolarHBondContact O-N 2.95Å; T204-L206 VanDerWaalsContact C-N 3.29Å; T204-L206 PolarHBondContact O-N 3.47Å; T204-A207 WeakPolarHBondContact O-CB 3.27Å; T204-A207 PolarHBondContact O-N 3.26Å; T204-A207 VanDerWaalsContact O-N 3.08Å; T204-Y208 HydrophobicContact CG2-CD2 3.77Å; T204-Y208 HydrophobicContact CG2-CE2 3.67Å; T204-Y208 VanDerWaalsContact O-CD2 3.28Å; T204-Y208 WeakPolarHBondContact O-CD2 3.06Å; T204-Y208 PolarHBondContact O-N 3.27Å; T204-F265 HydrophobicContact CG2-CD2 4.49Å; T204-F265 HydrophobicContact CG2-CE2 3.88Å; T204-F265 WeakPolarHBondContact OG1-CE2 3.39Å |
| 205 | V | 90.7 | Very high | 90.4 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 47% | 0.473 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 175.5 | 168.3 | 0 | 0 | 0 | 0 | 110.7 | I201 L202 A207 Y208 L209 | I201-V205 HydrophobicContact CG2-CG2 4.27Å; I201-V205 WeakPolarHBondContact O-CB 3.46Å; I201-V205 VanDerWaalsContact O-CG2 3.3Å; I201-V205 WeakPolarHBondContact O-CG2 3.48Å; I201-V205 PolarHBondContact O-N 2.87Å; L202-V205 PolarHBondContact O-N 3.23Å; V205-A207 VanDerWaalsContact C-N 3.28Å; V205-A207 PolarHBondContact O-N 3.5Å; V205-Y208 PolarHBondContact O-N 3.21Å; V205-L209 HydrophobicContact CG1-CD1 4.28Å; V205-L209 WeakPolarHBondContact O-CG 3.23Å; V205-L209 PolarHBondContact O-N 3.37Å |
| 206 | L | 90.8 | Very high | 90.1 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -35.9 | 176.9 | -67.2 | 170.4 | 0 | 0 | 0 | 111.8 | V120 V123 T124 L202 V203 T204 L209 A210 | V120-L206 HydrophobicContact CG1-CD1 4.28Å; V123-L206 HydrophobicContact CG1-CB 3.61Å; T124-L206 HydrophobicContact CG2-CB 4.48Å; T124-L206 HydrophobicContact CG2-CD1 3.78Å; T124-L206 HydrophobicContact CG2-CD2 4.07Å; T124-L206 HydrophobicContact CG2-CG 4.33Å; L202-L206 HydrophobicContact CD1-CD1 3.85Å; L202-L206 HydrophobicContact CD1-CG 4.2Å; L202-L206 HydrophobicContact CG-CD1 3.96Å; L202-L206 WeakPolarHBondContact O-CB 3.42Å; L202-L206 VanDerWaalsContact O-CG 3.23Å; L202-L206 WeakPolarHBondContact O-CG 3.32Å; L202-L206 PolarHBondContact O-N 2.91Å; V203-L206 PolarHBondContact O-N 3.07Å; T204-L206 VanDerWaalsContact C-N 3.29Å; T204-L206 PolarHBondContact O-N 3.47Å; L206-L209 HydrophobicContact CD2-CD1 4.4Å; L206-L209 WeakPolarHBondContact O-CB 3.32Å; L206-L209 PolarHBondContact O-N 2.93Å; L206-A210 PolarHBondContact O-N 3.26Å |
| 207 | A | 88.5 | Confident | 89.8 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V123 V203 T204 V205 L209 A210 L211 I258 L261 | V123-A207 HydrophobicContact CG1-CB 3.71Å; V203-A207 WeakPolarHBondContact O-CB 3.29Å; V203-A207 PolarHBondContact O-N 3.43Å; T204-A207 WeakPolarHBondContact O-CB 3.27Å; T204-A207 PolarHBondContact O-N 3.26Å; T204-A207 VanDerWaalsContact O-N 3.08Å; V205-A207 VanDerWaalsContact C-N 3.28Å; V205-A207 PolarHBondContact O-N 3.5Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 2.88Å; A207-A210 VanDerWaalsContact O-CB 3.31Å; A207-A210 WeakPolarHBondContact O-CB 3.41Å; A207-A210 PolarHBondContact O-N 3.48Å; A207-A210 VanDerWaalsContact O-N 3.16Å; A207-L211 PolarHBondContact O-N 3.36Å; A207-I258 HydrophobicContact CB-CD1 4.14Å; A207-I258 HydrophobicContact CB-CG1 3.56Å; A207-I258 WeakPolarHBondContact O-CD1 3.38Å; A207-L261 HydrophobicContact CB-CD1 4.37Å |
| 208 | Y | 89.9 | Confident | 89.5 | Confident | 105 Ų | 105 | 47.1 Ų | 47.1 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.1 | -34.4 | 172 | -84.1 | -75.5 | 0 | 0 | 0 | 113 | T204 V205 L211 L212 I258 T262 | T204-Y208 HydrophobicContact CG2-CD2 3.77Å; T204-Y208 HydrophobicContact CG2-CE2 3.67Å; T204-Y208 VanDerWaalsContact O-CD2 3.28Å; T204-Y208 WeakPolarHBondContact O-CD2 3.06Å; T204-Y208 PolarHBondContact O-N 3.27Å; V205-Y208 PolarHBondContact O-N 3.21Å; Y208-L211 HydrophobicContact CD1-CD2 4.13Å; Y208-L211 HydrophobicContact CE1-CD2 4.39Å; Y208-L211 WeakPolarHBondContact O-CB 3.41Å; Y208-L211 PolarHBondContact O-N 3.42Å; Y208-L212 PolarHBondContact O-N 3.49Å; Y208-I258 HydrophobicContact CE1-CG2 4.05Å; Y208-I258 HydrophobicContact CE2-CG2 4.07Å; Y208-T262 WeakPolarHBondContact OH-CG2 3.11Å; Y208-T262 PolarHBondContact OH-OG1 2.85Å |
| 209 | L | 88.8 | Confident | 89.1 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 171.4 | -74.4 | 172.6 | 0 | 0 | 0 | 111.9 | V205 L206 A207 L211 L212 F213 | V205-L209 HydrophobicContact CG1-CD1 4.28Å; V205-L209 WeakPolarHBondContact O-CG 3.23Å; V205-L209 PolarHBondContact O-N 3.37Å; L206-L209 HydrophobicContact CD2-CD1 4.4Å; L206-L209 WeakPolarHBondContact O-CB 3.32Å; L206-L209 PolarHBondContact O-N 2.93Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 2.88Å; L209-L211 VanDerWaalsContact C-N 3.32Å; L209-L211 PolarHBondContact O-N 2.88Å; L209-L212 PolarHBondContact O-N 2.88Å; L209-F213 VanDerWaalsContact O-CD2 3.26Å; L209-F213 WeakPolarHBondContact O-CD2 3.43Å; L209-F213 PolarHBondContact O-N 2.92Å |
| 210 | A | 87.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A127 L206 A207 F213 Y214 | A127-A210 HydrophobicContact CB-CB 3.59Å; L206-A210 PolarHBondContact O-N 3.26Å; A207-A210 VanDerWaalsContact O-CB 3.31Å; A207-A210 WeakPolarHBondContact O-CB 3.41Å; A207-A210 PolarHBondContact O-N 3.48Å; A207-A210 VanDerWaalsContact O-N 3.16Å; A210-F213 PolarHBondContact O-N 3.17Å; A210-Y214 WeakPolarHBondContact O-CB 3.45Å; A210-Y214 PolarHBondContact O-N 2.97Å |
| 211 | L | 86.7 | Confident | 88.2 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 174.9 | 173.7 | 52.6 | 0 | 0 | 0 | 112 | A207 Y208 L209 F213 Y214 L215 L254 I258 | A207-L211 PolarHBondContact O-N 3.36Å; Y208-L211 HydrophobicContact CD1-CD2 4.13Å; Y208-L211 HydrophobicContact CE1-CD2 4.39Å; Y208-L211 WeakPolarHBondContact O-CB 3.41Å; Y208-L211 PolarHBondContact O-N 3.42Å; L209-L211 VanDerWaalsContact C-N 3.32Å; L209-L211 PolarHBondContact O-N 2.88Å; L211-F213 PolarHBondContact O-N 3.33Å; L211-Y214 HydrophobicContact CD1-CD1 4.2Å; L211-Y214 WeakPolarHBondContact O-CA 3.48Å; L211-Y214 WeakPolarHBondContact O-CB 3.21Å; L211-Y214 PolarHBondContact O-N 2.76Å; L211-Y214 VanDerWaalsContact O-N 3.1Å; L211-L215 HydrophobicContact CD1-CD1 4.16Å; L211-L215 HydrophobicContact CD1-CD2 4.36Å; L211-L215 HydrophobicContact CD1-CG 3.94Å; L211-L215 HydrophobicContact CG-CD1 4.24Å; L211-L215 HydrophobicContact CG-CG 4.46Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 2.83Å; L211-L254 HydrophobicContact CB-CD2 3.87Å; L211-L254 HydrophobicContact CD1-CD1 3.36Å; L211-L254 HydrophobicContact CD1-CD2 3.16Å; L211-L254 HydrophobicContact CD1-CG 3.72Å; L211-L254 HydrophobicContact CD2-CD2 3.37Å; L211-L254 HydrophobicContact CG-CD2 3.59Å; L211-I258 HydrophobicContact CB-CD1 3.97Å |
| 212 | L | 89.6 | Confident | 87.7 | Confident | 88 Ų | 88 | 43.8 Ų | 43.8 | 46% | 0.461 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 178.8 | 178.9 | 62.7 | 0 | 0 | 0 | 111.1 | Y208 L209 Y214 L215 L216 | Y208-L212 PolarHBondContact O-N 3.49Å; L209-L212 PolarHBondContact O-N 2.88Å; L212-Y214 PolarHBondContact O-N 3.16Å; L212-L215 PolarHBondContact O-N 3.3Å; L212-L216 HydrophobicContact CD1-CG 4.49Å; L212-L216 HydrophobicContact CG-CD1 4.28Å; L212-L216 VanDerWaalsContact O-CG 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.38Å; L212-L216 PolarHBondContact O-N 3.35Å |
| 213 | F | 88.8 | Confident | 87.2 | Confident | 57 Ų | 57 | 48.4 Ų | 48.4 | 25% | 0.25 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -35.7 | 176.6 | -69.7 | -46 | 0 | 0 | 0 | 112.6 | A127 L131 L209 A210 L211 L216 A217 | A127-F213 HydrophobicContact CB-CD2 4.48Å; L131-F213 HydrophobicContact CB-CD2 4.15Å; L131-F213 HydrophobicContact CB-CE2 4.5Å; L131-F213 HydrophobicContact CB-CG 4.19Å; L131-F213 HydrophobicContact CD1-CD1 3.89Å; L131-F213 HydrophobicContact CD1-CE1 3.82Å; L131-F213 HydrophobicContact CD1-CG 4.35Å; L131-F213 HydrophobicContact CD1-CZ 4.19Å; L209-F213 VanDerWaalsContact O-CD2 3.26Å; L209-F213 WeakPolarHBondContact O-CD2 3.43Å; L209-F213 PolarHBondContact O-N 2.92Å; A210-F213 PolarHBondContact O-N 3.17Å; L211-F213 PolarHBondContact O-N 3.33Å; F213-L216 HydrophobicContact CD1-CD1 4.48Å; F213-L216 PolarHBondContact O-N 3.07Å; F213-A217 WeakPolarHBondContact O-CB 3.38Å; F213-A217 PolarHBondContact O-N 2.82Å |
| 214 | Y | 84.9 | Confident | 86.4 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 175.3 | 169.2 | -112.2 | 0 | 0 | 0 | 113.1 | A210 L211 L212 L216 A217 F218 S247 I250 L251 L254 | A210-Y214 WeakPolarHBondContact O-CB 3.45Å; A210-Y214 PolarHBondContact O-N 2.97Å; L211-Y214 HydrophobicContact CD1-CD1 4.2Å; L211-Y214 WeakPolarHBondContact O-CA 3.48Å; L211-Y214 WeakPolarHBondContact O-CB 3.21Å; L211-Y214 PolarHBondContact O-N 2.76Å; L211-Y214 VanDerWaalsContact O-N 3.1Å; L212-Y214 PolarHBondContact O-N 3.16Å; Y214-L216 VanDerWaalsContact C-N 3.26Å; Y214-L216 PolarHBondContact O-N 3.44Å; Y214-A217 WeakPolarHBondContact O-CB 3.34Å; Y214-A217 PolarHBondContact O-N 3.25Å; Y214-A217 VanDerWaalsContact O-N 3.13Å; Y214-F218 WeakPolarHBondContact O-CB 3.45Å; Y214-F218 PolarHBondContact O-N 2.95Å; Y214-S247 VanDerWaalsContact OH-CA 3.29Å; Y214-S247 WeakPolarHBondContact OH-CA 3.33Å; Y214-S247 WeakPolarHBondContact OH-CB 3.34Å; Y214-S247 PolarHBondContact OH-O 2.83Å; Y214-I250 HydrophobicContact CD1-CB 4.29Å; Y214-I250 HydrophobicContact CD1-CG2 3.52Å; Y214-I250 HydrophobicContact CD2-CB 3.73Å; Y214-I250 HydrophobicContact CD2-CD1 3.28Å; Y214-I250 HydrophobicContact CD2-CG1 4.08Å; Y214-I250 HydrophobicContact CD2-CG2 3.57Å; Y214-I250 HydrophobicContact CE1-CB 4.36Å; Y214-I250 HydrophobicContact CE1-CG2 4Å; Y214-I250 HydrophobicContact CE2-CB 3.84Å; Y214-I250 HydrophobicContact CE2-CD1 3.76Å; Y214-I250 HydrophobicContact CE2-CG1 4.39Å; Y214-I250 HydrophobicContact CE2-CG2 4.08Å; Y214-I250 HydrophobicContact CG-CB 3.94Å; Y214-I250 HydrophobicContact CG-CD1 4.06Å; Y214-I250 HydrophobicContact CG-CG2 3.24Å; Y214-L251 HydrophobicContact CE1-CG 4.3Å; Y214-L251 WeakPolarHBondContact OH-CD1 3.37Å; Y214-L254 HydrophobicContact CD1-CD1 4.45Å; Y214-L254 HydrophobicContact CE1-CD1 4.38Å |
| 215 | L | 88.1 | Confident | 85.6 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 175.5 | -68.3 | 175.1 | 0 | 0 | 0 | 110.9 | L211 L212 F218 A219 | L211-L215 HydrophobicContact CD1-CD1 4.16Å; L211-L215 HydrophobicContact CD1-CD2 4.36Å; L211-L215 HydrophobicContact CD1-CG 3.94Å; L211-L215 HydrophobicContact CG-CD1 4.24Å; L211-L215 HydrophobicContact CG-CG 4.46Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 2.83Å; L212-L215 PolarHBondContact O-N 3.3Å; L215-F218 PolarHBondContact O-N 3.47Å; L215-A219 VanDerWaalsContact O-CB 3.3Å; L215-A219 WeakPolarHBondContact O-CB 3.44Å; L215-A219 PolarHBondContact O-N 3.03Å |
| 216 | L | 89.3 | Confident | 84.5 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.2 | -67.5 | 174.9 | 0 | 0 | 0 | 112 | F134 L212 F213 Y214 A219 A220 | F134-L216 HydrophobicContact CD2-CB 3.67Å; F134-L216 HydrophobicContact CE2-CB 3.77Å; F134-L216 HydrophobicContact CG-CB 4.19Å; F134-L216 HydrophobicContact CZ-CB 4.37Å; L212-L216 HydrophobicContact CD1-CG 4.49Å; L212-L216 HydrophobicContact CG-CD1 4.28Å; L212-L216 VanDerWaalsContact O-CG 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.38Å; L212-L216 PolarHBondContact O-N 3.35Å; F213-L216 HydrophobicContact CD1-CD1 4.48Å; F213-L216 PolarHBondContact O-N 3.07Å; Y214-L216 VanDerWaalsContact C-N 3.26Å; Y214-L216 PolarHBondContact O-N 3.44Å; L216-A219 PolarHBondContact O-N 3.38Å; L216-A220 VanDerWaalsContact O-CB 3.3Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 2.96Å |
| 217 | A | 85.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R133 F134 L137 F213 Y214 A220 M221 | R133-A217 HydrophobicContact CB-CB 4.22Å; F134-A217 HydrophobicContact CB-CB 3.9Å; L137-A217 WeakPolarHBondContact CD1-O 3.28Å; F213-A217 WeakPolarHBondContact O-CB 3.38Å; F213-A217 PolarHBondContact O-N 2.82Å; Y214-A217 WeakPolarHBondContact O-CB 3.34Å; Y214-A217 PolarHBondContact O-N 3.25Å; Y214-A217 VanDerWaalsContact O-N 3.13Å; A217-A220 PolarHBondContact O-N 3.41Å; A217-M221 WeakPolarHBondContact O-CB 3.44Å; A217-M221 PolarHBondContact O-N 3.42Å |
| 218 | F | 84.5 | Confident | 82.2 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 40% | 0.404 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 177.7 | -175.4 | -96.9 | 0 | 0 | 0 | 111.4 | Y214 L215 A220 M221 V222 | Y214-F218 WeakPolarHBondContact O-CB 3.45Å; Y214-F218 PolarHBondContact O-N 2.95Å; L215-F218 PolarHBondContact O-N 3.47Å; F218-A220 PolarHBondContact O-N 3.01Å; F218-M221 VanDerWaalsContact O-CB 3.3Å; F218-M221 WeakPolarHBondContact O-CB 3.19Å; F218-M221 PolarHBondContact O-N 2.93Å; F218-M221 VanDerWaalsContact O-N 3.15Å; F218-V222 HydrophobicContact CD1-CG2 4.22Å; F218-V222 HydrophobicContact CE1-CG2 3.83Å; F218-V222 HydrophobicContact CZ-CG2 4.09Å; F218-V222 WeakPolarHBondContact O-CG2 3.39Å; F218-V222 PolarHBondContact O-N 3.13Å |
| 219 | A | 86.4 | Confident | 80.5 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | L215 L216 M221 V222 F223 | L215-A219 VanDerWaalsContact O-CB 3.3Å; L215-A219 WeakPolarHBondContact O-CB 3.44Å; L215-A219 PolarHBondContact O-N 3.03Å; L216-A219 PolarHBondContact O-N 3.38Å; A219-M221 VanDerWaalsContact C-N 3.27Å; A219-M221 PolarHBondContact O-N 2.94Å; A219-V222 PolarHBondContact O-N 3.27Å; A219-V222 VanDerWaalsContact O-N 3.11Å; A219-F223 HydrophobicContact CB-CD2 4.39Å; A219-F223 HydrophobicContact CB-CE2 4.17Å; A219-F223 WeakPolarHBondContact O-CD2 3.2Å; A219-F223 PolarHBondContact O-N 3.18Å |
| 220 | A | 83.7 | Confident | 79.1 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 12% | 0.124 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F134 L137 L216 A217 F218 R224 | F134-A220 HydrophobicContact CD2-CB 4.37Å; L137-A220 HydrophobicContact CB-CB 3.97Å; L216-A220 VanDerWaalsContact O-CB 3.3Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 2.96Å; A217-A220 PolarHBondContact O-N 3.41Å; F218-A220 PolarHBondContact O-N 3.01Å; A220-R224 VanDerWaalsContact O-CB 3.29Å; A220-R224 WeakPolarHBondContact O-CB 3.36Å; A220-R224 WeakPolarHBondContact O-CG 3.47Å; A220-R224 PolarHBondContact O-N 3.24Å |
| 221 | M | 81.4 | Confident | 77.6 | Confident | 16 Ų | 16 | 80 Ų | 80 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 174.6 | -168.2 | -162.8 | -47.1 | 0 | 0 | 111.9 | L137 A217 F218 A219 R224 R225 I240 T243 | L137-M221 HydrophobicContact CD1-CB 4.08Å; A217-M221 WeakPolarHBondContact O-CB 3.44Å; A217-M221 PolarHBondContact O-N 3.42Å; F218-M221 VanDerWaalsContact O-CB 3.3Å; F218-M221 WeakPolarHBondContact O-CB 3.19Å; F218-M221 PolarHBondContact O-N 2.93Å; F218-M221 VanDerWaalsContact O-N 3.15Å; A219-M221 VanDerWaalsContact C-N 3.27Å; A219-M221 PolarHBondContact O-N 2.94Å; M221-R224 PolarHBondContact O-N 3.16Å; M221-R225 WeakPolarHBondContact O-CB 3.35Å; M221-R225 PolarHBondContact O-N 3.21Å; M221-I240 HydrophobicContact CG-CG1 3.9Å; M221-I240 HydrophobicContact CG-CG2 4.34Å; M221-I240 HydrophobicContact SD-CG2 4.01Å; M221-T243 VanDerWaalsContact CE-CB 3.45Å; M221-T243 HydrophobicContact CE-CG2 3.22Å |
| 222 | V | 82.6 | Confident | 76.5 | Confident | 60 Ų | 60 | 83.4 Ų | 83.4 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | -179.6 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | F218 A219 | F218-V222 HydrophobicContact CD1-CG2 4.22Å; F218-V222 HydrophobicContact CE1-CG2 3.83Å; F218-V222 HydrophobicContact CZ-CG2 4.09Å; F218-V222 WeakPolarHBondContact O-CG2 3.39Å; F218-V222 PolarHBondContact O-N 3.13Å; A219-V222 PolarHBondContact O-N 3.27Å; A219-V222 VanDerWaalsContact O-N 3.11Å |
| 223 | F | 82.3 | Confident | 75.3 | Confident | 138 Ų | 138 | 80.2 Ų | 80.2 | 61% | 0.605 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.3 | -47.2 | 177.6 | -71.8 | -62.2 | 0 | 0 | 0 | 112 | A219 R225 K226 T227 | A219-F223 HydrophobicContact CB-CD2 4.39Å; A219-F223 HydrophobicContact CB-CE2 4.17Å; A219-F223 WeakPolarHBondContact O-CD2 3.2Å; A219-F223 PolarHBondContact O-N 3.18Å; F223-R225 VanDerWaalsContact C-N 3.31Å; F223-R225 PolarHBondContact O-N 3.2Å; F223-K226 PolarHBondContact O-N 2.85Å; F223-K226 VanDerWaalsContact O-N 3.15Å; F223-T227 PolarHBondContact O-OG1 3.36Å |
| 224 | R | 75.8 | Confident | 74.2 | Confident | 74 Ų | 74 | 83 Ų | 83 | 28% | 0.279 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.7 | -34.6 | -179.6 | -73 | -93.1 | -179.9 | -152.1 | -7.3 | 112.9 | L137 A138 A220 M221 K226 T227 T228 R232 L236 | L137-R224 PolarHBondContact O-NE 3.11Å; A138-R224 PolarHBondContact O-NH2 2.88Å; A220-R224 VanDerWaalsContact O-CB 3.29Å; A220-R224 WeakPolarHBondContact O-CB 3.36Å; A220-R224 WeakPolarHBondContact O-CG 3.47Å; A220-R224 PolarHBondContact O-N 3.24Å; M221-R224 PolarHBondContact O-N 3.16Å; R224-K226 PolarHBondContact O-N 3.46Å; R224-T227 PolarHBondContact O-N 3.45Å; R224-T228 PolarHBondContact O-OG1 2.89Å; R224-R232 VanDerWaalsContact NH1-NH2 3.15Å; R224-L236 HydrophobicContact CB-CD2 4.07Å |
| 225 | R | 71.3 | Confident | 73.4 | Confident | 197 Ų | 197 | 89.6 Ų | 89.6 | 74% | 0.743 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.9 | -31.5 | 177.4 | -172.1 | 176.4 | 177.2 | -169.5 | -2.5 | 112.3 | M221 F223 | M221-R225 WeakPolarHBondContact O-CB 3.35Å; M221-R225 PolarHBondContact O-N 3.21Å; F223-R225 VanDerWaalsContact C-N 3.31Å; F223-R225 PolarHBondContact O-N 3.2Å |
| 226 | K | 69.1 | Low | 72.5 | Confident | 170 Ų | 170 | 85.6 Ų | 85.6 | 74% | 0.739 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.2 | -25.5 | 179.6 | -62.8 | -177.3 | -179.4 | -176.5 | 0 | 113.4 | F223 R224 | F223-K226 PolarHBondContact O-N 2.85Å; F223-K226 VanDerWaalsContact O-N 3.15Å; R224-K226 PolarHBondContact O-N 3.46Å |
| 227 | T | 69.6 | Low | 71.6 | Confident | 116 Ų | 116 | 91 Ų | 91 | 71% | 0.712 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -101.7 | -3.7 | -167.6 | -39.6 | 0 | 0 | 0 | 0 | 114.6 | F223 R224 S229 | F223-T227 PolarHBondContact O-OG1 3.36Å; R224-T227 PolarHBondContact O-N 3.45Å; T227-S229 PolarHBondContact O-N 2.93Å |
| 228 | T | 60.7 | Low | 70.9 | Confident | 47 Ų | 47 | 99.8 Ų | 99.8 | 29% | 0.288 | 48% | 0.482 | S | S | . | . | trans | -94.2 | 104.3 | -164.8 | -46 | 0 | 0 | 0 | 0 | 113.3 | R224 R232 A233 L236 | R224-T228 PolarHBondContact O-OG1 2.89Å; T228-R232 HydrophobicContact CG2-CB 4.3Å; T228-A233 HydrophobicContact CG2-CB 4.02Å; T228-L236 HydrophobicContact CG2-CD1 4.15Å | ||
| 229 | S | 53.3 | Low | 70.2 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 63% | 0.629 | 48% | 0.479 | S | S | * | . | trans | -100.3 | 138.6 | 168.8 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | T227 I231 | T227-S229 PolarHBondContact O-N 2.93Å; S229-I231 PolarHBondContact O-N 2.91Å | ||
| 230 | T | 59.6 | Low | 69.5 | Low | 132 Ų | 132 | 98.6 Ų | 98.6 | 81% | 0.81 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -47.7 | 153 | 39.9 | 0 | 0 | 0 | 0 | 122.8 | ||
| 231 | I | 55.6 | Low | 69 | Low | 149 Ų | 149 | 101.5 Ų | 101.5 | 76% | 0.764 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.6 | -38.9 | -177.6 | -61.4 | 177.8 | 0 | 0 | 0 | 113.8 | S229 A233 | S229-I231 PolarHBondContact O-N 2.91Å; I231-A233 PolarHBondContact O-N 2.86Å; I231-A233 VanDerWaalsContact O-N 3.1Å |
| 232 | R | 63.6 | Low | 68.6 | Low | 102 Ų | 102 | 102.7 Ų | 102.7 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.9 | 173.9 | -172 | 174.8 | 170.3 | 173.2 | -0.3 | 113.1 | N140 R224 T228 I234 L236 | N140-R232 PolarHBondContact ND2-NH2 2.84Å; N140-R232 PolarHBondContact OD1-NH2 3.04Å; R224-R232 VanDerWaalsContact NH1-NH2 3.15Å; T228-R232 HydrophobicContact CG2-CB 4.3Å; R232-I234 VanDerWaalsContact C-N 3.26Å; R232-I234 PolarHBondContact O-N 2.85Å; R232-L236 HydrophobicContact CG-CD1 4.28Å; R232-L236 WeakPolarHBondContact O-CB 3.31Å; R232-L236 PolarHBondContact O-N 3.29Å |
| 233 | A | 65.3 | Low | 68.1 | Low | 21 Ų | 21 | 100 Ų | 100 | 17% | 0.174 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -58.4 | -30.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | T228 I231 R237 | T228-A233 HydrophobicContact CG2-CB 4.02Å; I231-A233 PolarHBondContact O-N 2.86Å; I231-A233 VanDerWaalsContact O-N 3.1Å; A233-R237 WeakPolarHBondContact O-CB 3.35Å; A233-R237 WeakPolarHBondContact O-CG 3.47Å; A233-R237 PolarHBondContact O-N 3.17Å |
| 234 | I | 65.5 | Low | 67.7 | Low | 115 Ų | 115 | 102.2 Ų | 102.2 | 59% | 0.59 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -74.1 | -49.6 | -174.2 | -61.5 | 174.6 | 0 | 0 | 0 | 112.2 | R232 L236 R237 R238 | R232-I234 VanDerWaalsContact C-N 3.26Å; R232-I234 PolarHBondContact O-N 2.85Å; I234-L236 VanDerWaalsContact C-N 3.33Å; I234-R237 PolarHBondContact O-N 3.49Å; I234-R238 PolarHBondContact O-N 2.99Å; I234-R238 VanDerWaalsContact O-N 3.17Å |
| 235 | Q | 67.5 | Low | 67.7 | Low | 148 Ų | 148 | 104.2 Ų | 104.2 | 69% | 0.692 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 176.4 | -72.5 | 178.4 | -19.6 | 0 | 0 | 110.5 | R237 R238 E239 | Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 PolarHBondContact O-N 2.92Å; Q235-R238 PolarHBondContact O-N 3.32Å; Q235-R238 VanDerWaalsContact O-N 3.12Å; Q235-E239 PolarHBondContact O-N 3.25Å |
| 236 | L | 69.3 | Low | 67.8 | Low | 10 Ų | 10 | 95 Ų | 95 | 5% | 0.052 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | 179.2 | -139 | 154.4 | 0 | 0 | 0 | 111.5 | R224 T228 R232 I234 R238 E239 I240 | R224-L236 HydrophobicContact CB-CD2 4.07Å; T228-L236 HydrophobicContact CG2-CD1 4.15Å; R232-L236 HydrophobicContact CG-CD1 4.28Å; R232-L236 WeakPolarHBondContact O-CB 3.31Å; R232-L236 PolarHBondContact O-N 3.29Å; I234-L236 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 3.35Å; L236-E239 PolarHBondContact O-N 3.45Å; L236-I240 HydrophobicContact CD2-CD1 3.45Å; L236-I240 VanDerWaalsContact CD2-CD1 3.45Å; L236-I240 HydrophobicContact CD2-CG1 3.91Å; L236-I240 WeakPolarHBondContact O-CB 3.45Å; L236-I240 WeakPolarHBondContact O-CD1 3.38Å; L236-I240 WeakPolarHBondContact O-CG1 3.43Å; L236-I240 PolarHBondContact O-N 3.38Å |
| 237 | R | 71.7 | Confident | 68.1 | Low | 183 Ų | 183 | 87.5 Ų | 87.5 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 171.8 | -85.1 | 178 | -173.3 | -155.9 | 4.7 | 112.1 | A233 I234 Q235 I240 V241 | A233-R237 WeakPolarHBondContact O-CB 3.35Å; A233-R237 WeakPolarHBondContact O-CG 3.47Å; A233-R237 PolarHBondContact O-N 3.17Å; I234-R237 PolarHBondContact O-N 3.49Å; Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 PolarHBondContact O-N 2.92Å; R237-I240 PolarHBondContact O-N 3.46Å; R237-V241 VanDerWaalsContact O-CG2 3.31Å; R237-V241 WeakPolarHBondContact O-CG2 3.38Å; R237-V241 PolarHBondContact O-N 2.97Å |
| 238 | R | 69.6 | Low | 68.3 | Low | 185 Ų | 185 | 88.5 Ų | 88.5 | 70% | 0.698 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 176.9 | -71.2 | -177.1 | -179.6 | 179.3 | 1 | 111.3 | I234 Q235 L236 V241 I242 | I234-R238 PolarHBondContact O-N 2.99Å; I234-R238 VanDerWaalsContact O-N 3.17Å; Q235-R238 PolarHBondContact O-N 3.32Å; Q235-R238 VanDerWaalsContact O-N 3.12Å; L236-R238 PolarHBondContact O-N 3.35Å; R238-V241 PolarHBondContact O-N 3.34Å; R238-I242 WeakPolarHBondContact O-CG1 3.47Å; R238-I242 PolarHBondContact O-N 2.89Å; R238-I242 VanDerWaalsContact O-N 3.07Å |
| 239 | E | 70.5 | Confident | 69 | Low | 72 Ų | 72 | 86.6 Ų | 86.6 | 34% | 0.336 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 176.5 | -71.5 | -177.9 | 173.1 | 0 | 0 | 111.9 | Q235 L236 V241 I242 T243 | Q235-E239 PolarHBondContact O-N 3.25Å; L236-E239 PolarHBondContact O-N 3.45Å; E239-V241 PolarHBondContact O-N 3.34Å; E239-I242 PolarHBondContact O-N 2.94Å; E239-T243 WeakPolarHBondContact O-CB 3.38Å; E239-T243 PolarHBondContact O-N 2.96Å; E239-T243 PolarHBondContact O-OG1 3.14Å |
| 240 | I | 71.6 | Confident | 69.9 | Low | 30 Ų | 30 | 82.9 Ų | 82.9 | 15% | 0.154 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.1 | -72.4 | 165 | 0 | 0 | 0 | 111.3 | M221 L236 R237 I242 T243 R244 | M221-I240 HydrophobicContact CG-CG1 3.9Å; M221-I240 HydrophobicContact CG-CG2 4.34Å; M221-I240 HydrophobicContact SD-CG2 4.01Å; L236-I240 HydrophobicContact CD2-CD1 3.45Å; L236-I240 VanDerWaalsContact CD2-CD1 3.45Å; L236-I240 HydrophobicContact CD2-CG1 3.91Å; L236-I240 WeakPolarHBondContact O-CB 3.45Å; L236-I240 WeakPolarHBondContact O-CD1 3.38Å; L236-I240 WeakPolarHBondContact O-CG1 3.43Å; L236-I240 PolarHBondContact O-N 3.38Å; R237-I240 PolarHBondContact O-N 3.46Å; I240-I242 PolarHBondContact O-N 3.48Å; I240-T243 PolarHBondContact O-N 3.01Å; I240-R244 VanDerWaalsContact O-CB 3.24Å; I240-R244 WeakPolarHBondContact O-CB 3.47Å; I240-R244 PolarHBondContact O-N 3.04Å |
| 241 | V | 73.7 | Confident | 70.6 | Confident | 77 Ų | 77 | 80.7 Ų | 80.7 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 179.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | R237 R238 E239 R244 R245 | R237-V241 VanDerWaalsContact O-CG2 3.31Å; R237-V241 WeakPolarHBondContact O-CG2 3.38Å; R237-V241 PolarHBondContact O-N 2.97Å; R238-V241 PolarHBondContact O-N 3.34Å; E239-V241 PolarHBondContact O-N 3.34Å; V241-R244 PolarHBondContact O-N 3.12Å; V241-R245 WeakPolarHBondContact O-CG 3.24Å; V241-R245 PolarHBondContact O-N 3.47Å |
| 242 | I | 71.4 | Confident | 71.6 | Confident | 41 Ų | 41 | 75 Ų | 75 | 21% | 0.21 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.4 | -53 | 176.2 | -64.3 | 165.9 | 0 | 0 | 0 | 109.3 | F64 R133 R238 E239 I240 R244 R245 L246 | F64-I242 HydrophobicContact CZ-CG2 4.11Å; R133-I242 VanDerWaalsContact NH1-CG2 3.34Å; R238-I242 WeakPolarHBondContact O-CG1 3.47Å; R238-I242 PolarHBondContact O-N 2.89Å; R238-I242 VanDerWaalsContact O-N 3.07Å; E239-I242 PolarHBondContact O-N 2.94Å; I240-I242 PolarHBondContact O-N 3.48Å; I242-R244 VanDerWaalsContact C-N 3.27Å; I242-R244 PolarHBondContact O-N 3.4Å; I242-R245 PolarHBondContact O-N 3.07Å; I242-L246 HydrophobicContact CG2-CD1 3.98Å; I242-L246 HydrophobicContact CG2-CG 4.22Å; I242-L246 WeakPolarHBondContact O-CG 3.14Å; I242-L246 PolarHBondContact O-N 3.39Å |
| 243 | T | 72.3 | Confident | 72.2 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -30.9 | -177.3 | -49.2 | 0 | 0 | 0 | 0 | 112.2 | R133 L137 M221 E239 I240 L246 S247 | R133-T243 HydrophobicContact CB-CG2 4.36Å; R133-T243 HydrophobicContact CG-CG2 4.45Å; L137-T243 HydrophobicContact CD1-CG2 4.13Å; M221-T243 VanDerWaalsContact CE-CB 3.45Å; M221-T243 HydrophobicContact CE-CG2 3.22Å; E239-T243 WeakPolarHBondContact O-CB 3.38Å; E239-T243 PolarHBondContact O-N 2.96Å; E239-T243 PolarHBondContact O-OG1 3.14Å; I240-T243 PolarHBondContact O-N 3.01Å; T243-L246 CarbonylContact O-C 3.56Å; T243-L246 PolarHBondContact O-N 3.24Å; T243-S247 VanDerWaalsContact O-CB 3.27Å; T243-S247 WeakPolarHBondContact O-CB 3.38Å; T243-S247 PolarHBondContact O-N 3.5Å |
| 244 | R | 74.9 | Confident | 72.7 | Confident | 184 Ų | 184 | 71.4 Ų | 71.4 | 69% | 0.694 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68.5 | -33 | 172.6 | -175.4 | 179.3 | 179.8 | -172.5 | 0.7 | 113.1 | I240 V241 I242 S247 | I240-R244 VanDerWaalsContact O-CB 3.24Å; I240-R244 WeakPolarHBondContact O-CB 3.47Å; I240-R244 PolarHBondContact O-N 3.04Å; V241-R244 PolarHBondContact O-N 3.12Å; I242-R244 VanDerWaalsContact C-N 3.27Å; I242-R244 PolarHBondContact O-N 3.4Å; R244-S247 WeakPolarHBondContact CA-OG 3.37Å; R244-S247 PolarHBondContact O-OG 3.49Å |
| 245 | R | 75.5 | Confident | 73.3 | Confident | 115 Ų | 115 | 71.3 Ų | 71.3 | 43% | 0.434 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.7 | -37.8 | 173.8 | -66.4 | -176.9 | -172.4 | -168.3 | 0.3 | 110.8 | V241 I242 S247 F248 S297 | V241-R245 WeakPolarHBondContact O-CG 3.24Å; V241-R245 PolarHBondContact O-N 3.47Å; I242-R245 PolarHBondContact O-N 3.07Å; R245-S247 VanDerWaalsContact C-N 3.28Å; R245-S247 PolarHBondContact O-N 3.09Å; R245-F248 PolarHBondContact O-N 3.45Å; R245-S297 WeakPolarHBondContact CD-OG 3.41Å; R245-S297 VanDerWaalsContact NH1-CA 3.28Å; R245-S297 PolarHBondContact NH1-OG 3.34Å |
| 246 | L | 74.4 | Confident | 73.8 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -29.1 | 173 | -60.3 | -172.8 | 0 | 0 | 0 | 112.6 | F64 R133 I242 T243 F248 L249 I250 Y294 | F64-L246 HydrophobicContact CE2-CD1 3.92Å; F64-L246 HydrophobicContact CZ-CD1 4.24Å; R133-L246 HydrophobicContact CG-CD1 4.1Å; I242-L246 HydrophobicContact CG2-CD1 3.98Å; I242-L246 HydrophobicContact CG2-CG 4.22Å; I242-L246 WeakPolarHBondContact O-CG 3.14Å; I242-L246 PolarHBondContact O-N 3.39Å; T243-L246 CarbonylContact O-C 3.56Å; T243-L246 PolarHBondContact O-N 3.24Å; L246-F248 VanDerWaalsContact C-N 3.31Å; L246-F248 PolarHBondContact O-N 3.03Å; L246-L249 WeakPolarHBondContact O-CB 3.32Å; L246-L249 PolarHBondContact O-N 3.49Å; L246-L249 VanDerWaalsContact O-N 3.1Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.41Å; L246-I250 PolarHBondContact O-N 2.93Å; L246-Y294 HydrophobicContact CD1-CE1 4.32Å; L246-Y294 HydrophobicContact CD2-CD1 4.25Å; L246-Y294 HydrophobicContact CD2-CD2 4.19Å; L246-Y294 HydrophobicContact CD2-CE1 3.54Å; L246-Y294 HydrophobicContact CD2-CE2 3.44Å; L246-Y294 VanDerWaalsContact CD2-CE2 3.44Å; L246-Y294 WeakPolarHBondContact CD2-OH 3.42Å |
| 247 | S | 73.8 | Confident | 74.2 | Confident | 13 Ų | 13 | 66 Ų | 66 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 178.2 | 75 | 0 | 0 | 0 | 0 | 111.3 | Y214 T243 R244 R245 L249 I250 L251 | Y214-S247 VanDerWaalsContact OH-CA 3.29Å; Y214-S247 WeakPolarHBondContact OH-CA 3.33Å; Y214-S247 WeakPolarHBondContact OH-CB 3.34Å; Y214-S247 PolarHBondContact OH-O 2.83Å; T243-S247 VanDerWaalsContact O-CB 3.27Å; T243-S247 WeakPolarHBondContact O-CB 3.38Å; T243-S247 PolarHBondContact O-N 3.5Å; R244-S247 WeakPolarHBondContact CA-OG 3.37Å; R244-S247 PolarHBondContact O-OG 3.49Å; R245-S247 VanDerWaalsContact C-N 3.28Å; R245-S247 PolarHBondContact O-N 3.09Å; S247-L249 VanDerWaalsContact C-N 3.32Å; S247-L249 PolarHBondContact O-N 3.47Å; S247-I250 PolarHBondContact O-N 3.49Å; S247-L251 VanDerWaalsContact O-CB 3.28Å; S247-L251 WeakPolarHBondContact O-CB 3.41Å; S247-L251 WeakPolarHBondContact O-CD1 3.08Å; S247-L251 WeakPolarHBondContact O-CG 3.46Å; S247-L251 PolarHBondContact O-N 2.99Å |
| 248 | F | 74.7 | Confident | 74.5 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 61% | 0.605 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | 172.3 | -178.5 | -97.7 | 0 | 0 | 0 | 112 | R245 L246 L251 S252 I293 | R245-F248 PolarHBondContact O-N 3.45Å; L246-F248 VanDerWaalsContact C-N 3.31Å; L246-F248 PolarHBondContact O-N 3.03Å; F248-L251 PolarHBondContact O-N 3.25Å; F248-S252 WeakPolarHBondContact O-CB 3.36Å; F248-S252 PolarHBondContact O-N 2.92Å; F248-I293 HydrophobicContact CD1-CD1 4.28Å |
| 249 | L | 74.3 | Confident | 75.1 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 179.1 | -163.3 | 156.1 | 0 | 0 | 0 | 111.6 | L246 S247 S252 T253 H286 F290 I293 Y294 | L246-L249 WeakPolarHBondContact O-CB 3.32Å; L246-L249 PolarHBondContact O-N 3.49Å; L246-L249 VanDerWaalsContact O-N 3.1Å; S247-L249 VanDerWaalsContact C-N 3.32Å; S247-L249 PolarHBondContact O-N 3.47Å; L249-S252 CarbonylContact O-C 3.59Å; L249-S252 WeakPolarHBondContact O-CA 3.22Å; L249-S252 VanDerWaalsContact O-CB 3.29Å; L249-S252 WeakPolarHBondContact O-CB 3.06Å; L249-S252 PolarHBondContact O-N 2.97Å; L249-S252 VanDerWaalsContact O-N 3.15Å; L249-T253 PolarHBondContact O-N 2.83Å; L249-T253 PolarHBondContact O-OG1 3.46Å; L249-T253 VanDerWaalsContact O-OG1 3.04Å; L249-H286 PolarHBondContact O-NE2 3.4Å; L249-F290 HydrophobicContact CD1-CB 4.09Å; L249-F290 HydrophobicContact CD1-CD2 3.48Å; L249-F290 VanDerWaalsContact CD1-CD2 3.48Å; L249-F290 HydrophobicContact CD1-CE2 4.15Å; L249-F290 HydrophobicContact CD1-CG 3.95Å; L249-F290 HydrophobicContact CD2-CD2 3.53Å; L249-F290 HydrophobicContact CD2-CE2 4.09Å; L249-F290 HydrophobicContact CG-CD2 4.1Å; L249-I293 HydrophobicContact CD1-CB 4.33Å; L249-I293 HydrophobicContact CD1-CD1 4.27Å; L249-I293 HydrophobicContact CD1-CG2 4.31Å; L249-Y294 HydrophobicContact CD1-CD2 3.89Å; L249-Y294 HydrophobicContact CD1-CE2 3.62Å |
| 250 | I | 73.6 | Confident | 75.5 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.5 | -36.3 | 179.8 | -60.3 | 162.1 | 0 | 0 | 0 | 110.9 | Y214 L246 S247 S252 T253 L254 | Y214-I250 HydrophobicContact CD1-CB 4.29Å; Y214-I250 HydrophobicContact CD1-CG2 3.52Å; Y214-I250 HydrophobicContact CD2-CB 3.73Å; Y214-I250 HydrophobicContact CD2-CD1 3.28Å; Y214-I250 HydrophobicContact CD2-CG1 4.08Å; Y214-I250 HydrophobicContact CD2-CG2 3.57Å; Y214-I250 HydrophobicContact CE1-CB 4.36Å; Y214-I250 HydrophobicContact CE1-CG2 4Å; Y214-I250 HydrophobicContact CE2-CB 3.84Å; Y214-I250 HydrophobicContact CE2-CD1 3.76Å; Y214-I250 HydrophobicContact CE2-CG1 4.39Å; Y214-I250 HydrophobicContact CE2-CG2 4.08Å; Y214-I250 HydrophobicContact CG-CB 3.94Å; Y214-I250 HydrophobicContact CG-CD1 4.06Å; Y214-I250 HydrophobicContact CG-CG2 3.24Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.41Å; L246-I250 PolarHBondContact O-N 2.93Å; S247-I250 PolarHBondContact O-N 3.49Å; I250-S252 VanDerWaalsContact C-N 3.29Å; I250-S252 PolarHBondContact O-N 3.31Å; I250-T253 WeakPolarHBondContact O-CB 3.46Å; I250-T253 PolarHBondContact O-N 3.21Å; I250-L254 WeakPolarHBondContact O-CG 3.4Å; I250-L254 PolarHBondContact O-N 3.05Å |
| 251 | L | 74.6 | Confident | 75.9 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 167.8 | -86.5 | 152.8 | 0 | 0 | 0 | 112 | Y214 S247 F248 L254 L255 | Y214-L251 HydrophobicContact CE1-CG 4.3Å; Y214-L251 WeakPolarHBondContact OH-CD1 3.37Å; S247-L251 VanDerWaalsContact O-CB 3.28Å; S247-L251 WeakPolarHBondContact O-CB 3.41Å; S247-L251 WeakPolarHBondContact O-CD1 3.08Å; S247-L251 WeakPolarHBondContact O-CG 3.46Å; S247-L251 PolarHBondContact O-N 2.99Å; F248-L251 PolarHBondContact O-N 3.25Å; L251-L254 HydrophobicContact CD2-CD1 4.3Å; L251-L254 WeakPolarHBondContact O-CB 3.38Å; L251-L254 PolarHBondContact O-N 2.78Å; L251-L255 PolarHBondContact O-N 3.27Å |
| 252 | S | 76.3 | Confident | 76.4 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 172.8 | -164 | 0 | 0 | 0 | 0 | 110.9 | F248 L249 I250 L254 L255 V256 H286 | F248-S252 WeakPolarHBondContact O-CB 3.36Å; F248-S252 PolarHBondContact O-N 2.92Å; L249-S252 CarbonylContact O-C 3.59Å; L249-S252 WeakPolarHBondContact O-CA 3.22Å; L249-S252 VanDerWaalsContact O-CB 3.29Å; L249-S252 WeakPolarHBondContact O-CB 3.06Å; L249-S252 PolarHBondContact O-N 2.97Å; L249-S252 VanDerWaalsContact O-N 3.15Å; I250-S252 VanDerWaalsContact C-N 3.29Å; I250-S252 PolarHBondContact O-N 3.31Å; S252-L254 VanDerWaalsContact C-N 3.26Å; S252-L254 PolarHBondContact O-N 3.03Å; S252-L255 PolarHBondContact O-N 3.01Å; S252-L255 VanDerWaalsContact O-N 3.16Å; S252-V256 VanDerWaalsContact O-CB 3.29Å; S252-V256 WeakPolarHBondContact O-CB 3.43Å; S252-V256 VanDerWaalsContact O-CG2 3.27Å; S252-V256 WeakPolarHBondContact O-CG2 3.43Å; S252-V256 PolarHBondContact O-N 3.35Å; S252-H286 PolarHBondContact OG-CD2 3.26Å |
| 253 | T | 76.2 | Confident | 76.9 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -37.6 | 174.1 | -53 | 0 | 0 | 0 | 0 | 111.6 | L249 I250 V257 I258 H286 | L249-T253 PolarHBondContact O-N 2.83Å; L249-T253 PolarHBondContact O-OG1 3.46Å; L249-T253 VanDerWaalsContact O-OG1 3.04Å; I250-T253 WeakPolarHBondContact O-CB 3.46Å; I250-T253 PolarHBondContact O-N 3.21Å; T253-V257 HydrophobicContact CG2-CB 4.12Å; T253-V257 HydrophobicContact CG2-CG2 3.91Å; T253-V257 WeakPolarHBondContact O-CA 3.14Å; T253-V257 VanDerWaalsContact O-CB 3.27Å; T253-V257 WeakPolarHBondContact O-CB 2.96Å; T253-V257 PolarHBondContact O-N 2.72Å; T253-I258 PolarHBondContact O-N 3.42Å; T253-H286 WeakPolarHBondContact CA-NE2 2.96Å; T253-H286 PolarHBondContact N-NE2 3.39Å; T253-H286 VanDerWaalsContact N-NE2 3.2Å; T253-H286 PolarHBondContact OG1-CE1 2.69Å; T253-H286 PolarHBondContact OG1-NE2 3.46Å |
| 254 | L | 75 | Confident | 77.3 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -59.1 | -49 | 175.1 | -78.5 | 166.2 | 0 | 0 | 0 | 112.3 | L211 Y214 I250 L251 S252 I258 L259 | L211-L254 HydrophobicContact CB-CD2 3.87Å; L211-L254 HydrophobicContact CD1-CD1 3.36Å; L211-L254 HydrophobicContact CD1-CD2 3.16Å; L211-L254 HydrophobicContact CD1-CG 3.72Å; L211-L254 HydrophobicContact CD2-CD2 3.37Å; L211-L254 HydrophobicContact CG-CD2 3.59Å; Y214-L254 HydrophobicContact CD1-CD1 4.45Å; Y214-L254 HydrophobicContact CE1-CD1 4.38Å; I250-L254 WeakPolarHBondContact O-CG 3.4Å; I250-L254 PolarHBondContact O-N 3.05Å; L251-L254 HydrophobicContact CD2-CD1 4.3Å; L251-L254 WeakPolarHBondContact O-CB 3.38Å; L251-L254 PolarHBondContact O-N 2.78Å; S252-L254 VanDerWaalsContact C-N 3.26Å; S252-L254 PolarHBondContact O-N 3.03Å; L254-I258 HydrophobicContact CD2-CB 4.29Å; L254-I258 HydrophobicContact CD2-CD1 3.27Å; L254-I258 HydrophobicContact CD2-CG1 4.34Å; L254-I258 HydrophobicContact CD2-CG2 4.5Å; L254-I258 HydrophobicContact CG-CD1 4.23Å; L254-I258 WeakPolarHBondContact O-CB 3.4Å; L254-I258 PolarHBondContact O-N 2.94Å; L254-L259 PolarHBondContact O-N 3.14Å |
| 255 | L | 78.9 | Confident | 77.7 | Confident | 113 Ų | 113 | 46.4 Ų | 46.4 | 59% | 0.592 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -74.5 | -31.2 | -176.7 | -64.8 | 175.8 | 0 | 0 | 0 | 112.6 | L251 S252 L259 P260 | L251-L255 PolarHBondContact O-N 3.27Å; S252-L255 PolarHBondContact O-N 3.01Å; S252-L255 VanDerWaalsContact O-N 3.16Å; L255-L259 HydrophobicContact CD2-CD1 4.43Å; L255-P260 WeakPolarHBondContact O-CD 3.49Å |
| 256 | V | 78.1 | Confident | 78.1 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -95.9 | -27.8 | -172.7 | 175.4 | 0 | 0 | 0 | 0 | 113.1 | S252 P260 C282 D283 H286 | S252-V256 VanDerWaalsContact O-CB 3.29Å; S252-V256 WeakPolarHBondContact O-CB 3.43Å; S252-V256 VanDerWaalsContact O-CG2 3.27Å; S252-V256 WeakPolarHBondContact O-CG2 3.43Å; S252-V256 PolarHBondContact O-N 3.35Å; V256-P260 WeakPolarHBondContact O-CD 3.28Å; V256-P260 VanDerWaalsContact O-CG 3.22Å; V256-P260 WeakPolarHBondContact O-CG 3.34Å; V256-C282 HydrophobicContact CG1-CB 3.81Å; V256-C282 WeakPolarHBondContact CG1-O 3.3Å; V256-C282 HydrophobicContact CG2-CB 4.06Å; V256-D283 VanDerWaalsContact CG1-CA 3.44Å; V256-D283 HydrophobicContact CG1-CB 4.1Å; V256-D283 VanDerWaalsContact CG1-N 3.31Å; V256-H286 HydrophobicContact CB-CB 4.46Å; V256-H286 HydrophobicContact CG1-CB 3.93Å |
| 257 | V | 76.3 | Confident | 78.5 | Confident | 27 Ų | 27 | 49.2 Ų | 49.2 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -111.9 | -54.8 | -177.1 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | T253 P260 L261 | T253-V257 HydrophobicContact CG2-CB 4.12Å; T253-V257 HydrophobicContact CG2-CG2 3.91Å; T253-V257 WeakPolarHBondContact O-CA 3.14Å; T253-V257 VanDerWaalsContact O-CB 3.27Å; T253-V257 WeakPolarHBondContact O-CB 2.96Å; T253-V257 PolarHBondContact O-N 2.72Å; V257-P260 WeakPolarHBondContact O-CD 3.39Å; V257-L261 HydrophobicContact CG1-CD1 3.85Å; V257-L261 WeakPolarHBondContact O-CB 3.43Å; V257-L261 WeakPolarHBondContact O-CD1 3.35Å; V257-L261 VanDerWaalsContact O-CG 3.24Å; V257-L261 WeakPolarHBondContact O-CG 3.48Å; V257-L261 PolarHBondContact O-N 2.73Å; V257-L261 VanDerWaalsContact O-N 3.17Å |
| 258 | I | 79.7 | Confident | 78.7 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -71.5 | -41.4 | -172.9 | -69.5 | 161.2 | 0 | 0 | 0 | 111.5 | A207 Y208 L211 T253 L254 L261 T262 | A207-I258 HydrophobicContact CB-CD1 4.14Å; A207-I258 HydrophobicContact CB-CG1 3.56Å; A207-I258 WeakPolarHBondContact O-CD1 3.38Å; Y208-I258 HydrophobicContact CE1-CG2 4.05Å; Y208-I258 HydrophobicContact CE2-CG2 4.07Å; L211-I258 HydrophobicContact CB-CD1 3.97Å; T253-I258 PolarHBondContact O-N 3.42Å; L254-I258 HydrophobicContact CD2-CB 4.29Å; L254-I258 HydrophobicContact CD2-CD1 3.27Å; L254-I258 HydrophobicContact CD2-CG1 4.34Å; L254-I258 HydrophobicContact CD2-CG2 4.5Å; L254-I258 HydrophobicContact CG-CD1 4.23Å; L254-I258 WeakPolarHBondContact O-CB 3.4Å; L254-I258 PolarHBondContact O-N 2.94Å; I258-L261 PolarHBondContact O-N 3.38Å; I258-T262 WeakPolarHBondContact O-CB 3.23Å; I258-T262 PolarHBondContact O-N 3.21Å; I258-T262 PolarHBondContact O-OG1 2.95Å |
| 259 | L | 80.4 | Confident | 78.7 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | -179.4 | -179.8 | 142.7 | 0 | 0 | 0 | 111.9 | L254 L255 L261 T262 I263 F279 | L254-L259 PolarHBondContact O-N 3.14Å; L255-L259 HydrophobicContact CD2-CD1 4.43Å; L259-L261 PolarHBondContact O-N 3.3Å; L259-T262 PolarHBondContact O-N 3.23Å; L259-I263 HydrophobicContact CD2-CD1 3.41Å; L259-I263 VanDerWaalsContact CD2-CD1 3.41Å; L259-I263 HydrophobicContact CD2-CG1 4.47Å; L259-I263 HydrophobicContact CG-CD1 3.89Å; L259-I263 WeakPolarHBondContact O-CB 3.09Å; L259-I263 VanDerWaalsContact O-CG1 3.24Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 3.44Å; L259-F279 HydrophobicContact CD2-CE1 4.25Å; L259-F279 HydrophobicContact CD2-CZ 4.3Å |
| 260 | P | 80.5 | Confident | 78.7 | Confident | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.104 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 172.6 | -33.2 | 43.2 | 0 | 0 | 0 | 114 | L255 V256 V257 T262 I263 S264 F279 | L255-P260 WeakPolarHBondContact O-CD 3.49Å; V256-P260 WeakPolarHBondContact O-CD 3.28Å; V256-P260 VanDerWaalsContact O-CG 3.22Å; V256-P260 WeakPolarHBondContact O-CG 3.34Å; V257-P260 WeakPolarHBondContact O-CD 3.39Å; P260-T262 VanDerWaalsContact C-N 3.27Å; P260-T262 PolarHBondContact O-N 2.88Å; P260-I263 PolarHBondContact O-N 3.22Å; P260-S264 PolarHBondContact O-N 3.16Å; P260-F279 HydrophobicContact CB-CB 4.12Å; P260-F279 HydrophobicContact CB-CD1 4.09Å; P260-F279 HydrophobicContact CB-CD2 3.48Å; P260-F279 VanDerWaalsContact CB-CD2 3.48Å; P260-F279 HydrophobicContact CB-CE1 4.33Å; P260-F279 HydrophobicContact CB-CE2 3.73Å; P260-F279 HydrophobicContact CB-CG 3.65Å; P260-F279 HydrophobicContact CB-CZ 4.15Å; P260-F279 HydrophobicContact CG-CB 4.03Å; P260-F279 HydrophobicContact CG-CD1 3.41Å; P260-F279 VanDerWaalsContact CG-CD1 3.41Å; P260-F279 HydrophobicContact CG-CD2 3.78Å; P260-F279 HydrophobicContact CG-CE1 3.64Å; P260-F279 HydrophobicContact CG-CE2 3.97Å; P260-F279 HydrophobicContact CG-CG 3.47Å; P260-F279 VanDerWaalsContact CG-CG 3.47Å; P260-F279 HydrophobicContact CG-CZ 3.91Å |
| 261 | L | 79.9 | Confident | 79 | Confident | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -36.7 | 176.1 | -75.8 | 170 | 0 | 0 | 0 | 112.3 | M200 V203 A207 V257 I258 L259 S264 F265 | M200-L261 HydrophobicContact CE-CD2 3.6Å; M200-L261 HydrophobicContact SD-CD2 4.3Å; V203-L261 HydrophobicContact CG1-CD1 3.97Å; V203-L261 HydrophobicContact CG1-CD2 4.44Å; A207-L261 HydrophobicContact CB-CD1 4.37Å; V257-L261 HydrophobicContact CG1-CD1 3.85Å; V257-L261 WeakPolarHBondContact O-CB 3.43Å; V257-L261 WeakPolarHBondContact O-CD1 3.35Å; V257-L261 VanDerWaalsContact O-CG 3.24Å; V257-L261 WeakPolarHBondContact O-CG 3.48Å; V257-L261 PolarHBondContact O-N 2.73Å; V257-L261 VanDerWaalsContact O-N 3.17Å; I258-L261 PolarHBondContact O-N 3.38Å; L259-L261 PolarHBondContact O-N 3.3Å; L261-S264 PolarHBondContact O-OG 2.91Å; L261-F265 WeakPolarHBondContact O-CD2 3.38Å; L261-F265 WeakPolarHBondContact O-CE2 3.09Å |
| 262 | T | 83.5 | Confident | 79.4 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 28% | 0.282 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.2 | -40.3 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | Y208 I258 L259 P260 S264 F265 | Y208-T262 WeakPolarHBondContact OH-CG2 3.11Å; Y208-T262 PolarHBondContact OH-OG1 2.85Å; I258-T262 WeakPolarHBondContact O-CB 3.23Å; I258-T262 PolarHBondContact O-N 3.21Å; I258-T262 PolarHBondContact O-OG1 2.95Å; L259-T262 PolarHBondContact O-N 3.23Å; P260-T262 VanDerWaalsContact C-N 3.27Å; P260-T262 PolarHBondContact O-N 2.88Å; T262-S264 VanDerWaalsContact C-N 3.27Å; T262-S264 PolarHBondContact O-N 3.43Å; T262-F265 PolarHBondContact O-N 3.49Å |
| 263 | I | 82.9 | Confident | 79.3 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 176.1 | -73.6 | 173.3 | 0 | 0 | 0 | 110.4 | L259 P260 F265 V266 I267 L269 F279 | L259-I263 HydrophobicContact CD2-CD1 3.41Å; L259-I263 VanDerWaalsContact CD2-CD1 3.41Å; L259-I263 HydrophobicContact CD2-CG1 4.47Å; L259-I263 HydrophobicContact CG-CD1 3.89Å; L259-I263 WeakPolarHBondContact O-CB 3.09Å; L259-I263 VanDerWaalsContact O-CG1 3.24Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 3.44Å; P260-I263 PolarHBondContact O-N 3.22Å; I263-F265 PolarHBondContact O-N 3.49Å; I263-F265 VanDerWaalsContact O-N 3.14Å; I263-V266 PolarHBondContact O-N 2.89Å; I263-I267 HydrophobicContact CG2-CD1 3.34Å; I263-I267 HydrophobicContact CG2-CG1 3.45Å; I263-I267 VanDerWaalsContact CG2-CG1 3.45Å; I263-I267 WeakPolarHBondContact O-CG1 3.4Å; I263-I267 PolarHBondContact O-N 2.71Å; I263-L269 HydrophobicContact CG2-CD1 4.36Å; I263-F279 HydrophobicContact CD1-CZ 3.89Å; I263-F279 HydrophobicContact CG2-CE2 4.4Å |
| 264 | S | 80.1 | Confident | 79.4 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.4 | 178.3 | 67.8 | 0 | 0 | 0 | 0 | 115.2 | M200 P260 L261 T262 | M200-S264 WeakPolarHBondContact CE-OG 3.26Å; P260-S264 PolarHBondContact O-N 3.16Å; L261-S264 PolarHBondContact O-OG 2.91Å; T262-S264 VanDerWaalsContact C-N 3.27Å; T262-S264 PolarHBondContact O-N 3.43Å |
| 265 | F | 82.6 | Confident | 79.6 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 46% | 0.456 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15.8 | 170 | -71.9 | -72.7 | 0 | 0 | 0 | 113.5 | M200 I201 T204 L261 T262 I263 | M200-F265 HydrophobicContact CB-CZ 4.01Å; I201-F265 HydrophobicContact CG1-CE1 3.72Å; I201-F265 HydrophobicContact CG1-CZ 3.81Å; T204-F265 HydrophobicContact CG2-CD2 4.49Å; T204-F265 HydrophobicContact CG2-CE2 3.88Å; T204-F265 WeakPolarHBondContact OG1-CE2 3.39Å; L261-F265 WeakPolarHBondContact O-CD2 3.38Å; L261-F265 WeakPolarHBondContact O-CE2 3.09Å; T262-F265 PolarHBondContact O-N 3.49Å; I263-F265 PolarHBondContact O-N 3.49Å; I263-F265 VanDerWaalsContact O-N 3.14Å |
| 266 | V | 83.7 | Confident | 79.6 | Confident | 121 Ų | 121 | 65 Ų | 65 | 73% | 0.733 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -36.3 | -175.2 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | I263 | I263-V266 PolarHBondContact O-N 2.89Š|
| 267 | I | 82.7 | Confident | 79.6 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -128.3 | 146.6 | 177.6 | 67.8 | 178.1 | 0 | 0 | 0 | 109.3 | I263 L269 Y272 | I263-I267 HydrophobicContact CG2-CD1 3.34Å; I263-I267 HydrophobicContact CG2-CG1 3.45Å; I263-I267 VanDerWaalsContact CG2-CG1 3.45Å; I263-I267 WeakPolarHBondContact O-CG1 3.4Å; I263-I267 PolarHBondContact O-N 2.71Å; I267-L269 HydrophobicContact CG1-CD1 4.36Å; I267-L269 PolarHBondContact O-N 2.98Å; I267-Y272 HydrophobicContact CB-CE2 4.43Å; I267-Y272 HydrophobicContact CD1-CD2 3.97Å; I267-Y272 HydrophobicContact CD1-CE2 4.27Å |
| 268 | D | 78.3 | Confident | 79.8 | Confident | 104 Ų | 104 | 72.6 Ų | 72.6 | 56% | 0.556 | 39% | 0.388 | S | S | * | . | trans | -74.1 | 113.3 | 165.5 | -166.7 | -19.3 | 0 | 0 | 0 | 108.2 | A270 D271 | D268-A270 PolarHBondContact O-N 3.17Å; D268-A270 VanDerWaalsContact OD1-CB 3.24Å; D268-A270 WeakPolarHBondContact OD1-CB 3.23Å; D268-A270 PolarHBondContact OD1-N 3.18Å; D268-D271 PolarHBondContact O-N 2.95Å | ||
| 269 | L | 75.6 | Confident | 79.9 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -66 | -19.2 | -179.8 | -83.8 | 83.6 | 0 | 0 | 0 | 112.2 | I263 I267 D271 Y272 E276 F279 | I263-L269 HydrophobicContact CG2-CD1 4.36Å; I267-L269 HydrophobicContact CG1-CD1 4.36Å; I267-L269 PolarHBondContact O-N 2.98Å; L269-D271 PolarHBondContact O-N 3.19Å; L269-Y272 CarbonylContact O-C 3.53Å; L269-Y272 VanDerWaalsContact O-C 3.25Å; L269-Y272 WeakPolarHBondContact O-CA 3.29Å; L269-Y272 PolarHBondContact O-N 2.94Å; L269-E276 HydrophobicContact CB-CB 4.43Å; L269-E276 HydrophobicContact CB-CG 4.43Å; L269-E276 HydrophobicContact CD2-CB 4.33Å; L269-E276 HydrophobicContact CD2-CG 4.27Å; L269-F279 HydrophobicContact CD2-CD2 3.51Å; L269-F279 HydrophobicContact CD2-CE2 3.7Å |
| 270 | A | 74.4 | Confident | 79.7 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -60.4 | -30.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D268 Y272 | D268-A270 PolarHBondContact O-N 3.17Å; D268-A270 VanDerWaalsContact OD1-CB 3.24Å; D268-A270 WeakPolarHBondContact OD1-CB 3.23Å; D268-A270 PolarHBondContact OD1-N 3.18Å; A270-Y272 PolarHBondContact O-N 3.08Å |
| 271 | D | 79.8 | Confident | 79.7 | Confident | 118 Ų | 118 | 78.4 Ų | 78.4 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -73.2 | -14.4 | 175.6 | -67.8 | -26.1 | 0 | 0 | 0 | 112.7 | D268 L269 | D268-D271 PolarHBondContact O-N 2.95Å; L269-D271 PolarHBondContact O-N 3.19Å |
| 272 | Y | 81.9 | Confident | 79.7 | Confident | 120 Ų | 120 | 79.5 Ų | 79.5 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | trans | -130 | 65.8 | -174.9 | -60.3 | -81.6 | 0 | 0 | 0 | 112.1 | I267 L269 A270 I274 I275 E276 | I267-Y272 HydrophobicContact CB-CE2 4.43Å; I267-Y272 HydrophobicContact CD1-CD2 3.97Å; I267-Y272 HydrophobicContact CD1-CE2 4.27Å; L269-Y272 CarbonylContact O-C 3.53Å; L269-Y272 VanDerWaalsContact O-C 3.25Å; L269-Y272 WeakPolarHBondContact O-CA 3.29Å; L269-Y272 PolarHBondContact O-N 2.94Å; A270-Y272 PolarHBondContact O-N 3.08Å; Y272-I274 PolarHBondContact O-N 3.35Å; Y272-I274 VanDerWaalsContact O-N 3.09Å; Y272-I275 HydrophobicContact CD1-CD1 4.15Å; Y272-I275 HydrophobicContact CG-CD1 4.11Å; Y272-I275 WeakPolarHBondContact O-CB 3.37Å; Y272-I275 PolarHBondContact O-N 3.01Å; Y272-E276 PolarHBondContact O-N 3.48Å; Y272-E276 VanDerWaalsContact O-N 3.1Å | ||
| 273 | P | 75.7 | Confident | 79.6 | Confident | 71 Ų | 71 | 79 Ų | 79 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -30 | -172.3 | 23.8 | -35.2 | 0 | 0 | 0 | 113.6 | E276 Q277 | P273-E276 PolarHBondContact O-N 2.87Å; P273-Q277 WeakPolarHBondContact O-CB 3.48Å; P273-Q277 VanDerWaalsContact O-CG 3.29Å; P273-Q277 WeakPolarHBondContact O-CG 3.34Å; P273-Q277 PolarHBondContact O-N 3.19Å |
| 274 | I | 78.3 | Confident | 79.4 | Confident | 137 Ų | 137 | 77.9 Ų | 77.9 | 70% | 0.703 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 176 | -61.1 | 174.4 | 0 | 0 | 0 | 110.8 | Y272 L278 | Y272-I274 PolarHBondContact O-N 3.35Å; Y272-I274 VanDerWaalsContact O-N 3.09Å; I274-L278 WeakPolarHBondContact O-CB 3.35Å; I274-L278 PolarHBondContact O-N 3.36Å |
| 275 | I | 79 | Confident | 79.4 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 31% | 0.308 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.7 | -44 | 179.3 | -61.6 | -177.5 | 0 | 0 | 0 | 109.4 | Y272 L278 F279 | Y272-I275 HydrophobicContact CD1-CD1 4.15Å; Y272-I275 HydrophobicContact CG-CD1 4.11Å; Y272-I275 WeakPolarHBondContact O-CB 3.37Å; Y272-I275 PolarHBondContact O-N 3.01Å; I275-L278 PolarHBondContact O-N 2.96Å; I275-F279 HydrophobicContact CG2-CD2 3.94Å; I275-F279 HydrophobicContact CG2-CE1 4.1Å; I275-F279 HydrophobicContact CG2-CE2 3.34Å; I275-F279 HydrophobicContact CG2-CZ 3.43Å; I275-F279 VanDerWaalsContact CG2-CZ 3.43Å; I275-F279 WeakPolarHBondContact O-CD2 3.35Å; I275-F279 WeakPolarHBondContact O-CG 3.32Å; I275-F279 PolarHBondContact O-N 3.23Å |
| 276 | E | 78.5 | Confident | 79.4 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 36% | 0.355 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.4 | -51.6 | 175.3 | -162.1 | -161.6 | 155.9 | 0 | 0 | 111.3 | L269 Y272 P273 L278 F279 W280 | L269-E276 HydrophobicContact CB-CB 4.43Å; L269-E276 HydrophobicContact CB-CG 4.43Å; L269-E276 HydrophobicContact CD2-CB 4.33Å; L269-E276 HydrophobicContact CD2-CG 4.27Å; Y272-E276 PolarHBondContact O-N 3.48Å; Y272-E276 VanDerWaalsContact O-N 3.1Å; P273-E276 PolarHBondContact O-N 2.87Å; E276-L278 VanDerWaalsContact C-N 3.29Å; E276-L278 PolarHBondContact O-N 2.7Å; E276-F279 PolarHBondContact O-N 2.93Å; E276-F279 VanDerWaalsContact O-N 3.13Å; E276-W280 PolarHBondContact O-N 3.29Å; E276-W280 PolarHBondContact OE1-NE1 2.79Å |
| 277 | Q | 77.6 | Confident | 79.3 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58 | -41.3 | 176.8 | -76 | 178.1 | 12.7 | 0 | 0 | 112.3 | P273 F279 W280 I281 | P273-Q277 WeakPolarHBondContact O-CB 3.48Å; P273-Q277 VanDerWaalsContact O-CG 3.29Å; P273-Q277 WeakPolarHBondContact O-CG 3.34Å; P273-Q277 PolarHBondContact O-N 3.19Å; Q277-F279 VanDerWaalsContact C-N 3.34Å; Q277-F279 PolarHBondContact O-N 3.25Å; Q277-W280 PolarHBondContact O-N 2.84Å; Q277-I281 WeakPolarHBondContact O-CD1 3.22Å; Q277-I281 VanDerWaalsContact O-CG1 3.24Å; Q277-I281 WeakPolarHBondContact O-CG1 3.26Å; Q277-I281 PolarHBondContact O-N 3.34Å |
| 278 | L | 80.3 | Confident | 79.2 | Confident | 95 Ų | 95 | 68.2 Ų | 68.2 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.3 | -177.7 | 63.9 | 0 | 0 | 0 | 111.4 | I274 I275 E276 I281 C282 | I274-L278 WeakPolarHBondContact O-CB 3.35Å; I274-L278 PolarHBondContact O-N 3.36Å; I275-L278 PolarHBondContact O-N 2.96Å; E276-L278 VanDerWaalsContact C-N 3.29Å; E276-L278 PolarHBondContact O-N 2.7Å; L278-I281 PolarHBondContact O-N 3.33Å; L278-C282 WeakPolarHBondContact O-CB 3.39Å; L278-C282 PolarHBondContact O-N 2.9Å; L278-C282 PolarHBondContact O-SG 3.46Å |
| 279 | F | 82.3 | Confident | 79.3 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.6 | -65.6 | -26.4 | 0 | 0 | 0 | 112.1 | L259 P260 I263 L269 I275 E276 Q277 I281 C282 D283 | L259-F279 HydrophobicContact CD2-CE1 4.25Å; L259-F279 HydrophobicContact CD2-CZ 4.3Å; P260-F279 HydrophobicContact CB-CB 4.12Å; P260-F279 HydrophobicContact CB-CD1 4.09Å; P260-F279 HydrophobicContact CB-CD2 3.48Å; P260-F279 VanDerWaalsContact CB-CD2 3.48Å; P260-F279 HydrophobicContact CB-CE1 4.33Å; P260-F279 HydrophobicContact CB-CE2 3.73Å; P260-F279 HydrophobicContact CB-CG 3.65Å; P260-F279 HydrophobicContact CB-CZ 4.15Å; P260-F279 HydrophobicContact CG-CB 4.03Å; P260-F279 HydrophobicContact CG-CD1 3.41Å; P260-F279 VanDerWaalsContact CG-CD1 3.41Å; P260-F279 HydrophobicContact CG-CD2 3.78Å; P260-F279 HydrophobicContact CG-CE1 3.64Å; P260-F279 HydrophobicContact CG-CE2 3.97Å; P260-F279 HydrophobicContact CG-CG 3.47Å; P260-F279 VanDerWaalsContact CG-CG 3.47Å; P260-F279 HydrophobicContact CG-CZ 3.91Å; I263-F279 HydrophobicContact CD1-CZ 3.89Å; I263-F279 HydrophobicContact CG2-CE2 4.4Å; L269-F279 HydrophobicContact CD2-CD2 3.51Å; L269-F279 HydrophobicContact CD2-CE2 3.7Å; I275-F279 HydrophobicContact CG2-CD2 3.94Å; I275-F279 HydrophobicContact CG2-CE1 4.1Å; I275-F279 HydrophobicContact CG2-CE2 3.34Å; I275-F279 HydrophobicContact CG2-CZ 3.43Å; I275-F279 VanDerWaalsContact CG2-CZ 3.43Å; I275-F279 WeakPolarHBondContact O-CD2 3.35Å; I275-F279 WeakPolarHBondContact O-CG 3.32Å; I275-F279 PolarHBondContact O-N 3.23Å; E276-F279 PolarHBondContact O-N 2.93Å; E276-F279 VanDerWaalsContact O-N 3.13Å; Q277-F279 VanDerWaalsContact C-N 3.34Å; Q277-F279 PolarHBondContact O-N 3.25Å; F279-I281 PolarHBondContact O-N 3.47Å; F279-C282 PolarHBondContact O-N 3.03Å; F279-D283 WeakPolarHBondContact O-CB 3.31Å; F279-D283 PolarHBondContact O-N 3.4Å |
| 280 | W | 76.8 | Confident | 79.6 | Confident | 115 Ų | 115 | 65.7 Ų | 65.7 | 44% | 0.436 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 173.5 | -77.6 | 111.4 | 0 | 0 | 0 | 112.4 | F82 E276 Q277 D283 T284 | F82-W280 HydrophobicContact CE1-CH2 4.38Å; F82-W280 AromaticContact CE1-CZ3 3.96Å; F82-W280 HydrophobicContact CE1-CZ3 3.96Å; F82-W280 HydrophobicContact CZ-CH2 4.13Å; F82-W280 AromaticContact CZ-CZ3 3.58Å; F82-W280 HydrophobicContact CZ-CZ3 3.58Å; E276-W280 PolarHBondContact O-N 3.29Å; E276-W280 PolarHBondContact OE1-NE1 2.79Å; Q277-W280 PolarHBondContact O-N 2.84Å; W280-D283 PolarHBondContact O-N 3.36Å; W280-T284 PolarHBondContact O-N 3.26Å; W280-T284 PolarHBondContact O-OG1 2.88Å |
| 281 | I | 78.8 | Confident | 80 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.5 | -69.6 | 164.8 | 0 | 0 | 0 | 110.6 | Q277 L278 F279 D283 T284 I285 | Q277-I281 WeakPolarHBondContact O-CD1 3.22Å; Q277-I281 VanDerWaalsContact O-CG1 3.24Å; Q277-I281 WeakPolarHBondContact O-CG1 3.26Å; Q277-I281 PolarHBondContact O-N 3.34Å; L278-I281 PolarHBondContact O-N 3.33Å; F279-I281 PolarHBondContact O-N 3.47Å; I281-D283 VanDerWaalsContact C-N 3.34Å; I281-D283 PolarHBondContact O-N 2.9Å; I281-T284 WeakPolarHBondContact O-CB 3.07Å; I281-T284 PolarHBondContact O-N 2.79Å; I281-I285 HydrophobicContact CG2-CD1 3.78Å; I281-I285 VanDerWaalsContact O-CG1 3.32Å; I281-I285 WeakPolarHBondContact O-CG1 3.22Å; I281-I285 PolarHBondContact O-N 2.85Å |
| 282 | C | 81.8 | Confident | 80.1 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 30% | 0.297 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 178.6 | -76.5 | 0 | 0 | 0 | 0 | 111.7 | V256 L278 F279 I285 H286 | V256-C282 HydrophobicContact CG1-CB 3.81Å; V256-C282 WeakPolarHBondContact CG1-O 3.3Å; V256-C282 HydrophobicContact CG2-CB 4.06Å; L278-C282 WeakPolarHBondContact O-CB 3.39Å; L278-C282 PolarHBondContact O-N 2.9Å; L278-C282 PolarHBondContact O-SG 3.46Å; F279-C282 PolarHBondContact O-N 3.03Å; C282-I285 PolarHBondContact O-N 3.14Å; C282-H286 WeakPolarHBondContact O-CB 3.48Å; C282-H286 PolarHBondContact O-N 2.94Å |
| 283 | D | 81.5 | Confident | 80.1 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 20% | 0.198 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.6 | -173 | 62.5 | 0 | 0 | 0 | 111.2 | Y39 V256 F279 W280 I281 I285 H286 V287 | Y39-D283 WeakPolarHBondContact CE2-OD2 3.42Å; Y39-D283 PolarHBondContact OH-OD2 3.39Å; V256-D283 VanDerWaalsContact CG1-CA 3.44Å; V256-D283 HydrophobicContact CG1-CB 4.1Å; V256-D283 VanDerWaalsContact CG1-N 3.31Å; F279-D283 WeakPolarHBondContact O-CB 3.31Å; F279-D283 PolarHBondContact O-N 3.4Å; W280-D283 PolarHBondContact O-N 3.36Å; I281-D283 VanDerWaalsContact C-N 3.34Å; I281-D283 PolarHBondContact O-N 2.9Å; D283-I285 VanDerWaalsContact C-N 3.32Å; D283-I285 PolarHBondContact O-N 3.45Å; D283-H286 WeakPolarHBondContact O-CB 3.44Å; D283-H286 PolarHBondContact O-N 3.36Å; D283-H286 VanDerWaalsContact O-N 3.11Å; D283-V287 WeakPolarHBondContact O-CG2 3.49Å; D283-V287 PolarHBondContact O-N 2.87Å |
| 284 | T | 78.7 | Confident | 80.3 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.4 | -49.2 | 175 | -44.2 | 0 | 0 | 0 | 0 | 112 | Y39 F42 W280 I281 H286 S288 | Y39-T284 HydrophobicContact CD2-CG2 3.8Å; Y39-T284 WeakPolarHBondContact CD2-OG1 3.32Å; Y39-T284 HydrophobicContact CE2-CG2 4.4Å; Y39-T284 HydrophobicContact CG-CG2 4.19Å; F42-T284 HydrophobicContact CB-CG2 3.97Å; W280-T284 PolarHBondContact O-N 3.26Å; W280-T284 PolarHBondContact O-OG1 2.88Å; I281-T284 WeakPolarHBondContact O-CB 3.07Å; I281-T284 PolarHBondContact O-N 2.79Å; T284-H286 VanDerWaalsContact C-N 3.32Å; T284-S288 PolarHBondContact O-N 2.89Å; T284-S288 PolarHBondContact O-OG 2.94Å; T284-S288 VanDerWaalsContact O-OG 3.12Å |
| 285 | I | 79.1 | Confident | 80.4 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 46% | 0.462 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.4 | -40.8 | -178.5 | -69.1 | 169.9 | 0 | 0 | 0 | 109.2 | I281 C282 D283 S288 L289 | I281-I285 HydrophobicContact CG2-CD1 3.78Å; I281-I285 VanDerWaalsContact O-CG1 3.32Å; I281-I285 WeakPolarHBondContact O-CG1 3.22Å; I281-I285 PolarHBondContact O-N 2.85Å; C282-I285 PolarHBondContact O-N 3.14Å; D283-I285 VanDerWaalsContact C-N 3.32Å; D283-I285 PolarHBondContact O-N 3.45Å; I285-S288 PolarHBondContact O-N 3.38Å; I285-L289 HydrophobicContact CG2-CD1 3.54Å; I285-L289 HydrophobicContact CG2-CG 3.91Å; I285-L289 VanDerWaalsContact O-CB 3.27Å; I285-L289 WeakPolarHBondContact O-CB 3.45Å; I285-L289 WeakPolarHBondContact O-CG 3.33Å; I285-L289 PolarHBondContact O-N 2.76Å |
| 286 | H | 82 | Confident | 80.4 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 178.6 | -178.6 | -76.8 | 0 | 0 | 0 | 112.2 | L249 S252 T253 V256 C282 D283 T284 S288 L289 F290 | L249-H286 PolarHBondContact O-NE2 3.4Å; S252-H286 PolarHBondContact OG-CD2 3.26Å; T253-H286 WeakPolarHBondContact CA-NE2 2.96Å; T253-H286 PolarHBondContact N-NE2 3.39Å; T253-H286 VanDerWaalsContact N-NE2 3.2Å; T253-H286 PolarHBondContact OG1-CE1 2.69Å; T253-H286 PolarHBondContact OG1-NE2 3.46Å; V256-H286 HydrophobicContact CB-CB 4.46Å; V256-H286 HydrophobicContact CG1-CB 3.93Å; C282-H286 WeakPolarHBondContact O-CB 3.48Å; C282-H286 PolarHBondContact O-N 2.94Å; D283-H286 WeakPolarHBondContact O-CB 3.44Å; D283-H286 PolarHBondContact O-N 3.36Å; D283-H286 VanDerWaalsContact O-N 3.11Å; T284-H286 VanDerWaalsContact C-N 3.32Å; H286-S288 VanDerWaalsContact C-N 3.26Å; H286-S288 PolarHBondContact O-N 3.46Å; H286-L289 PolarHBondContact O-N 2.82Å; H286-F290 PolarHBondContact O-N 2.96Å |
| 287 | V | 81.7 | Confident | 80.4 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | A43 N75 D283 | A43-V287 HydrophobicContact CB-CG1 3.95Å; N75-V287 HydrophobicContact CB-CG1 3.91Å; D283-V287 WeakPolarHBondContact O-CG2 3.49Å; D283-V287 PolarHBondContact O-N 2.87Å |
| 288 | S | 81.7 | Confident | 80.4 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72 | -45.7 | 177.8 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | F42 T284 I285 H286 F290 V291 F292 | F42-S288 PolarHBondContact O-OG 2.87Å; T284-S288 PolarHBondContact O-N 2.89Å; T284-S288 PolarHBondContact O-OG 2.94Å; T284-S288 VanDerWaalsContact O-OG 3.12Å; I285-S288 PolarHBondContact O-N 3.38Å; H286-S288 VanDerWaalsContact C-N 3.26Å; H286-S288 PolarHBondContact O-N 3.46Å; S288-F290 PolarHBondContact O-N 2.82Å; S288-V291 PolarHBondContact O-N 3.25Å; S288-F292 WeakPolarHBondContact O-CD2 3.37Å; S288-F292 PolarHBondContact O-N 3.29Å |
| 289 | L | 80.7 | Confident | 80.4 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.3 | -33.1 | 178.8 | -78.7 | 176.7 | 0 | 0 | 0 | 111.9 | I285 H286 V291 F292 I293 | I285-L289 HydrophobicContact CG2-CD1 3.54Å; I285-L289 HydrophobicContact CG2-CG 3.91Å; I285-L289 VanDerWaalsContact O-CB 3.27Å; I285-L289 WeakPolarHBondContact O-CB 3.45Å; I285-L289 WeakPolarHBondContact O-CG 3.33Å; I285-L289 PolarHBondContact O-N 2.76Å; H286-L289 PolarHBondContact O-N 2.82Å; L289-V291 VanDerWaalsContact C-N 3.34Å; L289-V291 PolarHBondContact O-N 2.82Å; L289-F292 PolarHBondContact O-N 2.81Å; L289-I293 HydrophobicContact CB-CD1 4.44Å; L289-I293 WeakPolarHBondContact O-CB 3.48Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.26Å; L289-I293 PolarHBondContact O-N 3.33Å |
| 290 | F | 81.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.3 | -53.7 | 175.3 | -179.5 | -79.8 | 0 | 0 | 0 | 111.2 | I68 F71 I129 L249 H286 S288 F292 I293 Y294 | I68-F290 HydrophobicContact CG2-CE1 4.25Å; F71-F290 HydrophobicContact CB-CZ 4.31Å; F71-F290 AromaticContact CD1-CD1 3.63Å; F71-F290 HydrophobicContact CD1-CD1 3.63Å; F71-F290 AromaticContact CD1-CD2 3.76Å; F71-F290 HydrophobicContact CD1-CD2 3.76Å; F71-F290 AromaticContact CD1-CE1 3.29Å; F71-F290 HydrophobicContact CD1-CE1 3.29Å; F71-F290 AromaticContact CD1-CE2 3.43Å; F71-F290 HydrophobicContact CD1-CE2 3.43Å; F71-F290 VanDerWaalsContact CD1-CE2 3.43Å; F71-F290 AromaticContact CD1-CG 3.89Å; F71-F290 HydrophobicContact CD1-CG 3.89Å; F71-F290 AromaticContact CD1-CZ 3.2Å; F71-F290 HydrophobicContact CD1-CZ 3.2Å; F71-F290 HydrophobicContact CD2-CE2 4.46Å; F71-F290 HydrophobicContact CE1-CB 4.01Å; F71-F290 AromaticContact CE1-CD1 3.5Å; F71-F290 HydrophobicContact CE1-CD1 3.5Å; F71-F290 VanDerWaalsContact CE1-CD1 3.5Å; F71-F290 AromaticContact CE1-CD2 3.16Å; F71-F290 HydrophobicContact CE1-CD2 3.16Å; F71-F290 AromaticContact CE1-CE1 3.66Å; F71-F290 HydrophobicContact CE1-CE1 3.66Å; F71-F290 AromaticContact CE1-CE2 3.33Å; F71-F290 HydrophobicContact CE1-CE2 3.33Å; F71-F290 AromaticContact CE1-CG 3.29Å; F71-F290 HydrophobicContact CE1-CG 3.29Å; F71-F290 AromaticContact CE1-CZ 3.59Å; F71-F290 HydrophobicContact CE1-CZ 3.59Å; F71-F290 HydrophobicContact CE2-CE2 4.42Å; F71-F290 HydrophobicContact CG-CE1 4.27Å; F71-F290 HydrophobicContact CG-CE2 4.02Å; F71-F290 AromaticContact CG-CZ 3.82Å; F71-F290 HydrophobicContact CG-CZ 3.82Å; F71-F290 AromaticContact CZ-CD2 3.68Å; F71-F290 HydrophobicContact CZ-CD2 3.68Å; F71-F290 AromaticContact CZ-CE2 3.89Å; F71-F290 HydrophobicContact CZ-CE2 3.89Å; F71-F290 HydrophobicContact CZ-CG 4.16Å; F71-F290 HydrophobicContact CZ-CZ 4.5Å; I129-F290 HydrophobicContact CD1-CE2 4.08Å; I129-F290 HydrophobicContact CD1-CZ 3.92Å; L249-F290 HydrophobicContact CD1-CB 4.09Å; L249-F290 HydrophobicContact CD1-CD2 3.48Å; L249-F290 VanDerWaalsContact CD1-CD2 3.48Å; L249-F290 HydrophobicContact CD1-CE2 4.15Å; L249-F290 HydrophobicContact CD1-CG 3.95Å; L249-F290 HydrophobicContact CD2-CD2 3.53Å; L249-F290 HydrophobicContact CD2-CE2 4.09Å; L249-F290 HydrophobicContact CG-CD2 4.1Å; H286-F290 PolarHBondContact O-N 2.96Å; S288-F290 PolarHBondContact O-N 2.82Å; F290-F292 VanDerWaalsContact C-N 3.31Å; F290-F292 PolarHBondContact O-N 2.95Å; F290-I293 PolarHBondContact O-N 2.88Å; F290-Y294 AromaticContact CD1-CD2 3.7Å; F290-Y294 HydrophobicContact CD1-CD2 3.7Å; F290-Y294 HydrophobicContact CD1-CE2 4.07Å; F290-Y294 AromaticContact CD2-CD2 3.99Å; F290-Y294 HydrophobicContact CD2-CD2 3.99Å; F290-Y294 AromaticContact CD2-CE2 3.63Å; F290-Y294 HydrophobicContact CD2-CE2 3.63Å; F290-Y294 AromaticContact CE1-CD2 3.47Å; F290-Y294 HydrophobicContact CE1-CD2 3.47Å; F290-Y294 VanDerWaalsContact CE1-CD2 3.47Å; F290-Y294 AromaticContact CE1-CE2 3.6Å; F290-Y294 HydrophobicContact CE1-CE2 3.6Å; F290-Y294 HydrophobicContact CE1-CG 4.1Å; F290-Y294 AromaticContact CE2-CD2 3.79Å; F290-Y294 HydrophobicContact CE2-CD2 3.79Å; F290-Y294 AromaticContact CE2-CE2 3.11Å; F290-Y294 HydrophobicContact CE2-CE2 3.11Å; F290-Y294 AromaticContact CE2-CZ 3.79Å; F290-Y294 AromaticContact CG-CD2 3.93Å; F290-Y294 HydrophobicContact CG-CD2 3.93Å; F290-Y294 HydrophobicContact CG-CE2 4.07Å; F290-Y294 AromaticContact CZ-CD2 3.51Å; F290-Y294 HydrophobicContact CZ-CD2 3.51Å; F290-Y294 HydrophobicContact CZ-CE1 4.37Å; F290-Y294 AromaticContact CZ-CE2 3.07Å; F290-Y294 HydrophobicContact CZ-CE2 3.07Å; F290-Y294 HydrophobicContact CZ-CG 4.31Å; F290-Y294 AromaticContact CZ-CZ 3.53Å; F290-Y294 WeakPolarHBondContact O-CB 3.46Å; F290-Y294 VanDerWaalsContact O-CD2 3.31Å; F290-Y294 WeakPolarHBondContact O-CD2 3.25Å; F290-Y294 PolarHBondContact O-N 3.45Å |
| 291 | V | 83.2 | Confident | 80.6 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | -178.6 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | P46 N47 L50 S288 L289 Y294 S295 | P46-V291 HydrophobicContact CB-CB 4.03Å; P46-V291 HydrophobicContact CB-CG1 3.96Å; P46-V291 HydrophobicContact CB-CG2 4.07Å; N47-V291 HydrophobicContact CB-CG2 4.34Å; N47-V291 WeakPolarHBondContact OD1-CG2 3.44Å; L50-V291 HydrophobicContact CB-CG1 4.05Å; L50-V291 HydrophobicContact CD2-CB 4.47Å; L50-V291 HydrophobicContact CD2-CG1 4.24Å; L50-V291 HydrophobicContact CD2-CG2 4.01Å; S288-V291 PolarHBondContact O-N 3.25Å; L289-V291 VanDerWaalsContact C-N 3.34Å; L289-V291 PolarHBondContact O-N 2.82Å; V291-Y294 PolarHBondContact O-N 3.43Å; V291-S295 WeakPolarHBondContact O-CB 3.33Å; V291-S295 PolarHBondContact O-N 2.84Å; V291-S295 PolarHBondContact O-OG 3.49Å |
| 292 | F | 82 | Confident | 81 | Confident | 132 Ų | 132 | 43.1 Ų | 43.1 | 58% | 0.579 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.6 | -46.3 | -179.9 | -69.7 | -65.4 | 0 | 0 | 0 | 112.3 | S288 L289 F290 S295 A296 | S288-F292 WeakPolarHBondContact O-CD2 3.37Å; S288-F292 PolarHBondContact O-N 3.29Å; L289-F292 PolarHBondContact O-N 2.81Å; F290-F292 VanDerWaalsContact C-N 3.31Å; F290-F292 PolarHBondContact O-N 2.95Å; F292-S295 PolarHBondContact O-N 3.38Å; F292-A296 WeakPolarHBondContact O-CB 3.41Å; F292-A296 PolarHBondContact O-N 2.97Å |
| 293 | I | 81.8 | Confident | 81.1 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 179.6 | -68.7 | 168.2 | 0 | 0 | 0 | 110.4 | F248 L249 L289 F290 A296 S297 | F248-I293 HydrophobicContact CD1-CD1 4.28Å; L249-I293 HydrophobicContact CD1-CB 4.33Å; L249-I293 HydrophobicContact CD1-CD1 4.27Å; L249-I293 HydrophobicContact CD1-CG2 4.31Å; L289-I293 HydrophobicContact CB-CD1 4.44Å; L289-I293 WeakPolarHBondContact O-CB 3.48Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.26Å; L289-I293 PolarHBondContact O-N 3.33Å; F290-I293 PolarHBondContact O-N 2.88Å; I293-A296 PolarHBondContact O-N 3.49Å; I293-S297 WeakPolarHBondContact O-CB 3.48Å; I293-S297 PolarHBondContact O-N 3.4Å; I293-S297 PolarHBondContact O-OG 3.26Å |
| 294 | Y | 79.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 179.8 | -91.1 | -89.5 | 0 | 0 | 0 | 112.4 | F64 I68 I129 L246 L249 F290 V291 S297 N298 | F64-Y294 AromaticContact CE2-CE1 3.85Å; F64-Y294 HydrophobicContact CE2-CE1 3.85Å; F64-Y294 HydrophobicContact CZ-CD1 4.18Å; F64-Y294 AromaticContact CZ-CE1 3.59Å; F64-Y294 HydrophobicContact CZ-CE1 3.59Å; I68-Y294 HydrophobicContact CD1-CD1 3.54Å; I68-Y294 HydrophobicContact CD1-CE1 3.43Å; I68-Y294 VanDerWaalsContact CD1-CE1 3.43Å; I68-Y294 HydrophobicContact CG1-CD1 4.02Å; I68-Y294 HydrophobicContact CG1-CE1 3.59Å; I129-Y294 WeakPolarHBondContact CG2-OH 3.44Å; L246-Y294 HydrophobicContact CD1-CE1 4.32Å; L246-Y294 HydrophobicContact CD2-CD1 4.25Å; L246-Y294 HydrophobicContact CD2-CD2 4.19Å; L246-Y294 HydrophobicContact CD2-CE1 3.54Å; L246-Y294 HydrophobicContact CD2-CE2 3.44Å; L246-Y294 VanDerWaalsContact CD2-CE2 3.44Å; L246-Y294 WeakPolarHBondContact CD2-OH 3.42Å; L249-Y294 HydrophobicContact CD1-CD2 3.89Å; L249-Y294 HydrophobicContact CD1-CE2 3.62Å; F290-Y294 AromaticContact CD1-CD2 3.7Å; F290-Y294 HydrophobicContact CD1-CD2 3.7Å; F290-Y294 HydrophobicContact CD1-CE2 4.07Å; F290-Y294 AromaticContact CD2-CD2 3.99Å; F290-Y294 HydrophobicContact CD2-CD2 3.99Å; F290-Y294 AromaticContact CD2-CE2 3.63Å; F290-Y294 HydrophobicContact CD2-CE2 3.63Å; F290-Y294 AromaticContact CE1-CD2 3.47Å; F290-Y294 HydrophobicContact CE1-CD2 3.47Å; F290-Y294 VanDerWaalsContact CE1-CD2 3.47Å; F290-Y294 AromaticContact CE1-CE2 3.6Å; F290-Y294 HydrophobicContact CE1-CE2 3.6Å; F290-Y294 HydrophobicContact CE1-CG 4.1Å; F290-Y294 AromaticContact CE2-CD2 3.79Å; F290-Y294 HydrophobicContact CE2-CD2 3.79Å; F290-Y294 AromaticContact CE2-CE2 3.11Å; F290-Y294 HydrophobicContact CE2-CE2 3.11Å; F290-Y294 AromaticContact CE2-CZ 3.79Å; F290-Y294 AromaticContact CG-CD2 3.93Å; F290-Y294 HydrophobicContact CG-CD2 3.93Å; F290-Y294 HydrophobicContact CG-CE2 4.07Å; F290-Y294 AromaticContact CZ-CD2 3.51Å; F290-Y294 HydrophobicContact CZ-CD2 3.51Å; F290-Y294 HydrophobicContact CZ-CE1 4.37Å; F290-Y294 AromaticContact CZ-CE2 3.07Å; F290-Y294 HydrophobicContact CZ-CE2 3.07Å; F290-Y294 HydrophobicContact CZ-CG 4.31Å; F290-Y294 AromaticContact CZ-CZ 3.53Å; F290-Y294 WeakPolarHBondContact O-CB 3.46Å; F290-Y294 VanDerWaalsContact O-CD2 3.31Å; F290-Y294 WeakPolarHBondContact O-CD2 3.25Å; F290-Y294 PolarHBondContact O-N 3.45Å; V291-Y294 PolarHBondContact O-N 3.43Å; Y294-S297 PolarHBondContact O-N 3.37Å; Y294-N298 PolarHBondContact O-N 3.04Å; Y294-N298 PolarHBondContact O-ND2 3.02Å |
| 295 | S | 80.5 | Confident | 81.6 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | V291 F292 S297 N298 R302 I305 | V291-S295 WeakPolarHBondContact O-CB 3.33Å; V291-S295 PolarHBondContact O-N 2.84Å; V291-S295 PolarHBondContact O-OG 3.49Å; F292-S295 PolarHBondContact O-N 3.38Å; S295-S297 PolarHBondContact O-N 2.99Å; S295-N298 VanDerWaalsContact O-O 3.11Å; S295-R302 WeakPolarHBondContact O-CB 3.42Å; S295-I305 WeakPolarHBondContact OG-CD1 3.48Å |
| 296 | A | 78.9 | Confident | 82 | Confident | 67 Ų | 67 | 45 Ų | 45 | 55% | 0.554 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67.1 | -27.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F292 I293 | F292-A296 WeakPolarHBondContact O-CB 3.41Å; F292-A296 PolarHBondContact O-N 2.97Å; I293-A296 PolarHBondContact O-N 3.49Å |
| 297 | S | 78 | Confident | 82.2 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -86.2 | -24.9 | -177.6 | -59.3 | 0 | 0 | 0 | 0 | 115 | R245 I293 Y294 S295 | R245-S297 WeakPolarHBondContact CD-OG 3.41Å; R245-S297 VanDerWaalsContact NH1-CA 3.28Å; R245-S297 PolarHBondContact NH1-OG 3.34Å; I293-S297 WeakPolarHBondContact O-CB 3.48Å; I293-S297 PolarHBondContact O-N 3.4Å; I293-S297 PolarHBondContact O-OG 3.26Å; Y294-S297 PolarHBondContact O-N 3.37Å; S295-S297 PolarHBondContact O-N 2.99Å |
| 298 | N | 78.6 | Confident | 82.4 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | trans | -113.6 | 108.1 | -179.3 | -63.5 | -80.3 | 0 | 0 | 0 | 109 | Y294 S295 E300 L301 R302 | Y294-N298 PolarHBondContact O-N 3.04Å; Y294-N298 PolarHBondContact O-ND2 3.02Å; S295-N298 VanDerWaalsContact O-O 3.11Å; N298-E300 PolarHBondContact O-N 3.21Å; N298-L301 HydrophobicContact CB-CB 4.06Å; N298-L301 HydrophobicContact CB-CD1 3.83Å; N298-L301 HydrophobicContact CB-CG 3.88Å; N298-L301 PolarHBondContact O-N 2.92Å; N298-R302 PolarHBondContact O-N 3.34Å | ||
| 299 | P | 79.9 | Confident | 82.5 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | -178 | 23 | -32.4 | 0 | 0 | 0 | 111.7 | L301 R302 F303 | P299-L301 PolarHBondContact O-N 3.41Å; P299-R302 PolarHBondContact O-N 3.05Å; P299-F303 HydrophobicContact CB-CD2 4.38Å; P299-F303 HydrophobicContact CB-CE2 4.21Å; P299-F303 WeakPolarHBondContact O-CB 3.41Å; P299-F303 WeakPolarHBondContact O-CD2 3.41Å; P299-F303 PolarHBondContact O-N 2.97Å |
| 300 | E | 81.9 | Confident | 82.7 | Confident | 82 Ų | 82 | 58 Ų | 58 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.6 | -49.4 | 174 | -65.4 | 176.6 | -170.4 | 0 | 0 | 111.7 | L59 Y65 N298 G304 | L59-E300 HydrophobicContact CD2-CB 4.11Å; Y65-E300 PolarHBondContact OH-OE2 3.42Å; N298-E300 PolarHBondContact O-N 3.21Å; E300-G304 PolarHBondContact O-N 3.44Å |
| 301 | L | 82.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 178 | -65.8 | 179 | 0 | 0 | 0 | 111.6 | L50 V53 I54 L59 Y65 N298 P299 F303 G304 I305 | L50-L301 HydrophobicContact CD1-CD1 4.08Å; L50-L301 HydrophobicContact CD1-CD2 4.16Å; V53-L301 HydrophobicContact CG1-CD2 4.17Å; I54-L301 HydrophobicContact CG1-CD2 3.82Å; L59-L301 HydrophobicContact CD1-CD2 3.49Å; L59-L301 VanDerWaalsContact CD1-CD2 3.49Å; Y65-L301 HydrophobicContact CE1-CD1 4.35Å; Y65-L301 HydrophobicContact CE1-CD2 4.33Å; Y65-L301 HydrophobicContact CE1-CG 4.3Å; N298-L301 HydrophobicContact CB-CB 4.06Å; N298-L301 HydrophobicContact CB-CD1 3.83Å; N298-L301 HydrophobicContact CB-CG 3.88Å; N298-L301 PolarHBondContact O-N 2.92Å; P299-L301 PolarHBondContact O-N 3.41Å; L301-F303 PolarHBondContact O-N 3.11Å; L301-G304 PolarHBondContact O-N 2.94Å; L301-G304 VanDerWaalsContact O-N 3.12Å; L301-I305 WeakPolarHBondContact O-CG1 3.36Å; L301-I305 PolarHBondContact O-N 2.93Å |
| 302 | R | 85.9 | Confident | 82.8 | Confident | 150 Ų | 150 | 72 Ų | 72 | 57% | 0.566 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56.4 | -50.9 | 176.7 | -174.1 | 178.2 | 172.8 | -176.2 | -1.9 | 111.8 | S295 N298 P299 G304 I305 L306 | S295-R302 WeakPolarHBondContact O-CB 3.42Å; N298-R302 PolarHBondContact O-N 3.34Å; P299-R302 PolarHBondContact O-N 3.05Å; R302-G304 PolarHBondContact O-N 3.37Å; R302-I305 PolarHBondContact O-N 3.45Å; R302-L306 HydrophobicContact CG-CD1 4.01Å; R302-L306 HydrophobicContact CG-CG 4.5Å; R302-L306 WeakPolarHBondContact O-CB 3.19Å; R302-L306 WeakPolarHBondContact O-CG 3.32Å; R302-L306 PolarHBondContact O-N 3.28Å |
| 303 | F | 84.9 | Confident | 82.7 | Confident | 137 Ų | 137 | 70.8 Ų | 70.8 | 60% | 0.601 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.1 | -35.3 | 178.3 | -76.1 | -59.5 | 0 | 0 | 0 | 111.4 | P299 L301 R307 | P299-F303 HydrophobicContact CB-CD2 4.38Å; P299-F303 HydrophobicContact CB-CE2 4.21Å; P299-F303 WeakPolarHBondContact O-CB 3.41Å; P299-F303 WeakPolarHBondContact O-CD2 3.41Å; P299-F303 PolarHBondContact O-N 2.97Å; L301-F303 PolarHBondContact O-N 3.11Å; F303-R307 VanDerWaalsContact O-CB 3.24Å; F303-R307 WeakPolarHBondContact O-CB 3.43Å; F303-R307 PolarHBondContact O-N 3Å |
| 304 | G | 85 | Confident | 81.7 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E300 L301 R302 R307 L308 | E300-G304 PolarHBondContact O-N 3.44Å; L301-G304 PolarHBondContact O-N 2.94Å; L301-G304 VanDerWaalsContact O-N 3.12Å; R302-G304 PolarHBondContact O-N 3.37Å; G304-R307 PolarHBondContact O-N 3.35Å; G304-L308 WeakPolarHBondContact O-CB 3.11Å; G304-L308 PolarHBondContact O-N 3.08Å |
| 305 | I | 85.5 | Confident | 80.6 | Confident | 25 Ų | 25 | 84.4 Ų | 84.4 | 13% | 0.128 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 176.5 | -68.6 | 169.2 | 0 | 0 | 0 | 110.2 | V53 S295 L301 R302 R307 L308 M309 | V53-I305 HydrophobicContact CB-CG1 4.4Å; V53-I305 HydrophobicContact CG2-CG1 3.79Å; S295-I305 WeakPolarHBondContact OG-CD1 3.48Å; L301-I305 WeakPolarHBondContact O-CG1 3.36Å; L301-I305 PolarHBondContact O-N 2.93Å; R302-I305 PolarHBondContact O-N 3.45Å; I305-R307 VanDerWaalsContact C-N 3.31Å; I305-R307 PolarHBondContact O-N 3.47Å; I305-L308 PolarHBondContact O-N 3.26Å; I305-L308 VanDerWaalsContact O-N 3.12Å; I305-M309 HydrophobicContact CG2-CG 4.22Å; I305-M309 HydrophobicContact CG2-SD 3.87Å; I305-M309 WeakPolarHBondContact O-CB 3Å; I305-M309 WeakPolarHBondContact O-CG 3.32Å; I305-M309 PolarHBondContact O-N 3.29Å |
| 306 | L | 86.4 | Confident | 79.2 | Confident | 74 Ų | 74 | 93.5 Ų | 93.5 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.5 | -71.9 | 174 | 0 | 0 | 0 | 112.2 | R302 L308 M309 N310 | R302-L306 HydrophobicContact CG-CD1 4.01Å; R302-L306 HydrophobicContact CG-CG 4.5Å; R302-L306 WeakPolarHBondContact O-CB 3.19Å; R302-L306 WeakPolarHBondContact O-CG 3.32Å; R302-L306 PolarHBondContact O-N 3.28Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-M309 PolarHBondContact O-N 3.48Å; L306-N310 WeakPolarHBondContact O-CB 3.25Å; L306-N310 PolarHBondContact O-N 2.73Å; L306-N310 PolarHBondContact O-ND2 2.81Å |
| 307 | R | 86.3 | Confident | 77.9 | Confident | 148 Ų | 148 | 99.2 Ų | 99.2 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 175.9 | -173.8 | -176.5 | -68.1 | 172.5 | -2.4 | 111.6 | F303 G304 I305 R311 | F303-R307 VanDerWaalsContact O-CB 3.24Å; F303-R307 WeakPolarHBondContact O-CB 3.43Å; F303-R307 PolarHBondContact O-N 3Å; G304-R307 PolarHBondContact O-N 3.35Å; I305-R307 VanDerWaalsContact C-N 3.31Å; I305-R307 PolarHBondContact O-N 3.47Å; R307-R311 WeakPolarHBondContact O-CG 3.22Å; R307-R311 PolarHBondContact O-N 2.75Å |
| 308 | L | 85.6 | Confident | 76.6 | Confident | 35 Ų | 35 | 103.3 Ų | 103.3 | 18% | 0.183 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -67.7 | -47.1 | 177 | -176.4 | 62.3 | 0 | 0 | 0 | 111.2 | L49 I52 V53 G304 I305 L306 N310 R311 V312 | L49-L308 HydrophobicContact CD2-CD2 3.64Å; L49-L308 HydrophobicContact CD2-CG 4.36Å; I52-L308 HydrophobicContact CB-CD2 4.12Å; I52-L308 HydrophobicContact CG2-CD1 4.26Å; I52-L308 HydrophobicContact CG2-CD2 3.69Å; V53-L308 HydrophobicContact CG2-CB 4.42Å; V53-L308 HydrophobicContact CG2-CD2 4.09Å; G304-L308 WeakPolarHBondContact O-CB 3.11Å; G304-L308 PolarHBondContact O-N 3.08Å; I305-L308 PolarHBondContact O-N 3.26Å; I305-L308 VanDerWaalsContact O-N 3.12Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L308-N310 VanDerWaalsContact C-N 3.33Å; L308-N310 PolarHBondContact O-N 3.19Å; L308-R311 WeakPolarHBondContact O-CB 3.46Å; L308-R311 PolarHBondContact O-N 3.18Å; L308-V312 HydrophobicContact CD1-CG2 4.46Å; L308-V312 PolarHBondContact O-N 3.26Å |
| 309 | M | 84.8 | Confident | 75.2 | Confident | 86 Ų | 86 | 107.4 Ų | 107.4 | 42% | 0.424 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 175.8 | -71 | -180 | 72.1 | 0 | 0 | 111.5 | I305 L306 R311 V312 L313 | I305-M309 HydrophobicContact CG2-CG 4.22Å; I305-M309 HydrophobicContact CG2-SD 3.87Å; I305-M309 WeakPolarHBondContact O-CB 3Å; I305-M309 WeakPolarHBondContact O-CG 3.32Å; I305-M309 PolarHBondContact O-N 3.29Å; L306-M309 PolarHBondContact O-N 3.48Å; M309-R311 PolarHBondContact O-N 3.48Å; M309-V312 PolarHBondContact O-N 3.1Å; M309-L313 CarbonylContact O-C 3.48Å; M309-L313 WeakPolarHBondContact O-CA 3.48Å; M309-L313 PolarHBondContact O-N 3.49Å |
| 310 | N | 85.6 | Confident | 73.8 | Confident | 105 Ų | 105 | 106.8 Ų | 106.8 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -21.5 | 176.7 | -73.2 | -20.5 | 0 | 0 | 0 | 113.9 | L306 L308 | L306-N310 WeakPolarHBondContact O-CB 3.25Å; L306-N310 PolarHBondContact O-N 2.73Å; L306-N310 PolarHBondContact O-ND2 2.81Å; L308-N310 VanDerWaalsContact C-N 3.33Å; L308-N310 PolarHBondContact O-N 3.19Å |
| 311 | R | 83.7 | Confident | 72.2 | Confident | 194 Ų | 194 | 106 Ų | 106 | 73% | 0.732 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -82.2 | -41.7 | 174 | -77.1 | -179.1 | 178.7 | -174.7 | -1.7 | 112.1 | R307 L308 M309 | R307-R311 WeakPolarHBondContact O-CG 3.22Å; R307-R311 PolarHBondContact O-N 2.75Å; L308-R311 WeakPolarHBondContact O-CB 3.46Å; L308-R311 PolarHBondContact O-N 3.18Å; M309-R311 PolarHBondContact O-N 3.48Å |
| 312 | V | 81.7 | Confident | 70.5 | Confident | 106 Ų | 106 | 110.7 Ų | 110.7 | 64% | 0.642 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -77.8 | -43.1 | -177.5 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | L308 M309 P314 | L308-V312 HydrophobicContact CD1-CG2 4.46Å; L308-V312 PolarHBondContact O-N 3.26Å; M309-V312 PolarHBondContact O-N 3.1Å; V312-P314 VanDerWaalsContact C-CD 3.45Å; V312-P314 WeakPolarHBondContact O-CD 3.27Å |
| 313 | L | 79.5 | Confident | 68.6 | Low | 108 Ų | 108 | 107.6 Ų | 107.6 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -111.2 | 84.4 | 172.9 | -72.5 | 150.4 | 0 | 0 | 0 | 106.3 | M309 W315 | M309-L313 CarbonylContact O-C 3.48Å; M309-L313 WeakPolarHBondContact O-CA 3.48Å; M309-L313 PolarHBondContact O-N 3.49Å; L313-W315 PolarHBondContact O-N 3.49Å |
| 314 | P | 62.2 | Low | 66.7 | Low | 100 Ų | 100 | 105 Ų | 105 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | trans | -63.5 | 87.7 | 166.4 | 27 | -31.4 | 0 | 0 | 0 | 106.6 | V312 R316 | V312-P314 VanDerWaalsContact C-CD 3.45Å; V312-P314 WeakPolarHBondContact O-CD 3.27Å; P314-R316 PolarHBondContact O-N 2.97Å | ||
| 315 | W | 55 | Low | 64.7 | Low | 226 Ų | 226 | 114.5 Ų | 114.5 | 86% | 0.856 | 57% | 0.573 | S | S | * | * | trans | -56 | 110.8 | 172.3 | -123.4 | 59.3 | 0 | 0 | 0 | 105.3 | L313 K317 | L313-W315 PolarHBondContact O-N 3.49Å; W315-K317 VanDerWaalsContact C-N 3.31Å; W315-K317 PolarHBondContact O-N 2.9Å | ||
| 316 | R | 51.1 | Low | 62.9 | Low | 204 Ų | 204 | 117.1 Ų | 117.1 | 77% | 0.77 | 59% | 0.594 | S | S | * | * | trans | -53.5 | 91.9 | -169 | -161.7 | -175.6 | -168.8 | -154.5 | 5.1 | 108.6 | P314 N318 | P314-R316 PolarHBondContact O-N 2.97Å; R316-N318 HydrophobicContact CG-CB 4.17Å; R316-N318 PolarHBondContact O-N 3.01Å | ||
| 317 | K | 52.6 | Low | 61.1 | Low | 187 Ų | 187 | 118 Ų | 118 | 81% | 0.813 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 23.5 | 174.1 | -90.9 | -170.2 | 176.8 | -175.1 | 0 | 112.6 | W315 | W315-K317 VanDerWaalsContact C-N 3.31Å; W315-K317 PolarHBondContact O-N 2.9Å |
| 318 | N | 49.1 | Very low | 59.2 | Low | 107 Ų | 107 | 117.6 Ų | 117.6 | 57% | 0.572 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -88.9 | -4.3 | -179.1 | -73.9 | 4.1 | 0 | 0 | 0 | 114.4 | R316 | R316-N318 HydrophobicContact CG-CB 4.17Å; R316-N318 PolarHBondContact O-N 3.01Å |
| 319 | S | 49.8 | Very low | 57.4 | Low | 98 Ų | 98 | 120.5 Ų | 120.5 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -90.4 | -8.3 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 320 | A | 49.7 | Very low | 55.7 | Low | 70 Ų | 70 | 120.5 Ų | 120.5 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -106 | -26.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T324 | A320-T324 PolarHBondContact O-OG1 3.18Å |
| 321 | A | 48.9 | Very low | 54 | Low | 65 Ų | 65 | 120.1 Ų | 120.1 | 54% | 0.537 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -80.4 | -30.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R325 | A321-R325 PolarHBondContact O-N 3.32Å |
| 322 | T | 47 | Very low | 52.1 | Low | 99 Ų | 99 | 112.5 Ų | 112.5 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.5 | -38 | -178.1 | -46.8 | 0 | 0 | 0 | 0 | 112.3 | T324 R325 S326 | T322-T324 VanDerWaalsContact C-N 3.35Å; T322-T324 PolarHBondContact O-N 3.46Å; T322-R325 PolarHBondContact O-N 3.36Å; T322-S326 PolarHBondContact O-N 3.34Å; T322-S326 VanDerWaalsContact O-N 3.13Å |
| 323 | T | 46.9 | Very low | 50.4 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 52% | 0.521 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.3 | -37.7 | 177.4 | -47 | 0 | 0 | 0 | 0 | 111.6 | R325 S326 I327 | T323-R325 PolarHBondContact O-N 2.88Å; T323-S326 PolarHBondContact O-N 2.95Å; T323-I327 HydrophobicContact CG2-CD1 3.94Å; T323-I327 WeakPolarHBondContact O-CG1 3.1Å; T323-I327 PolarHBondContact O-N 3.2Å; T323-I327 VanDerWaalsContact O-N 3.11Å |
| 324 | T | 45.1 | Very low | 48.7 | Very low | 82 Ų | 82 | 114.7 Ų | 114.7 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.7 | -33.9 | 178.8 | -41.8 | 0 | 0 | 0 | 0 | 111.9 | A320 T322 M328 | A320-T324 PolarHBondContact O-OG1 3.18Å; T322-T324 VanDerWaalsContact C-N 3.35Å; T322-T324 PolarHBondContact O-N 3.46Å; T324-M328 WeakPolarHBondContact O-CB 3.41Å; T324-M328 PolarHBondContact O-N 3.06Å |
| 325 | R | 42.5 | Very low | 47.8 | Very low | 201 Ų | 201 | 114.2 Ų | 114.2 | 76% | 0.758 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.5 | -35.4 | 177.3 | -128.4 | 178.3 | -165.4 | 172.9 | 3.2 | 112.9 | A321 T322 T323 T329 | A321-R325 PolarHBondContact O-N 3.32Å; T322-R325 PolarHBondContact O-N 3.36Å; T323-R325 PolarHBondContact O-N 2.88Å; R325-T329 PolarHBondContact O-N 3.03Å; R325-T329 PolarHBondContact O-OG1 2.04Å; R325-T329 VanDerWaalsContact O-OG1 3.12Å |
| 326 | S | 46.7 | Very low | 46.8 | Very low | 80 Ų | 80 | 110.5 Ų | 110.5 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.9 | -36.7 | 174.3 | 163.2 | 0 | 0 | 0 | 0 | 112.5 | T322 T323 T329 S330 | T322-S326 PolarHBondContact O-N 3.34Å; T322-S326 VanDerWaalsContact O-N 3.13Å; T323-S326 PolarHBondContact O-N 2.95Å; S326-T329 PolarHBondContact O-OG1 3.18Å; S326-S330 PolarHBondContact O-N 2.81Å |
| 327 | I | 49.6 | Very low | 46.1 | Very low | 93 Ų | 93 | 107.7 Ų | 107.7 | 48% | 0.477 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.6 | -39 | 178.8 | -64.5 | 171.2 | 0 | 0 | 0 | 110.7 | T323 T329 S330 I331 | T323-I327 HydrophobicContact CG2-CD1 3.94Å; T323-I327 WeakPolarHBondContact O-CG1 3.1Å; T323-I327 PolarHBondContact O-N 3.2Å; T323-I327 VanDerWaalsContact O-N 3.11Å; I327-T329 PolarHBondContact O-N 2.84Å; I327-S330 PolarHBondContact O-N 3.22Å; I327-I331 HydrophobicContact CG2-CD1 3.68Å; I327-I331 HydrophobicContact CG2-CG1 4.45Å; I327-I331 WeakPolarHBondContact O-CG1 3.37Å; I327-I331 PolarHBondContact O-N 3Å; I327-I331 VanDerWaalsContact O-N 3.11Å |
| 328 | M | 45.1 | Very low | 45.2 | Very low | 138 Ų | 138 | 103 Ų | 103 | 68% | 0.68 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.7 | -30.7 | 178.5 | -89.4 | -178 | 158.2 | 0 | 0 | 114.1 | T324 S330 I331 G332 | T324-M328 WeakPolarHBondContact O-CB 3.41Å; T324-M328 PolarHBondContact O-N 3.06Å; M328-S330 VanDerWaalsContact C-N 3.35Å; M328-I331 PolarHBondContact O-N 3.19Å; M328-G332 PolarHBondContact O-N 3.16Å |
| 329 | T | 49.6 | Very low | 44.5 | Very low | 97 Ų | 97 | 105.5 Ų | 105.5 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.6 | -25.9 | 173 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | R325 S326 I327 | R325-T329 PolarHBondContact O-N 3.03Å; R325-T329 PolarHBondContact O-OG1 2.04Å; R325-T329 VanDerWaalsContact O-OG1 3.12Å; S326-T329 PolarHBondContact O-OG1 3.18Å; I327-T329 PolarHBondContact O-N 2.84Å |
| 330 | S | 48.1 | Very low | 43.8 | Very low | 86 Ų | 86 | 108.3 Ų | 108.3 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.8 | -32.3 | 172.9 | -174 | 0 | 0 | 0 | 0 | 112.6 | S326 I327 M328 T334 | S326-S330 PolarHBondContact O-N 2.81Å; I327-S330 PolarHBondContact O-N 3.22Å; M328-S330 VanDerWaalsContact C-N 3.35Å; S330-T334 PolarHBondContact O-OG1 3.15Å |
| 331 | I | 50 | Low | 42.8 | Very low | 96 Ų | 96 | 108.3 Ų | 108.3 | 49% | 0.492 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -89.4 | -33.7 | -177.6 | -62.1 | 173.4 | 0 | 0 | 0 | 111.5 | I327 M328 N333 T334 V335 | I327-I331 HydrophobicContact CG2-CD1 3.68Å; I327-I331 HydrophobicContact CG2-CG1 4.45Å; I327-I331 WeakPolarHBondContact O-CG1 3.37Å; I327-I331 PolarHBondContact O-N 3Å; I327-I331 VanDerWaalsContact O-N 3.11Å; M328-I331 PolarHBondContact O-N 3.19Å; I331-N333 VanDerWaalsContact C-N 3.26Å; I331-N333 PolarHBondContact O-N 3.01Å; I331-T334 PolarHBondContact O-N 3.04Å; I331-T334 VanDerWaalsContact O-N 3.11Å; I331-T334 PolarHBondContact O-OG1 3.01Å; I331-T334 VanDerWaalsContact O-OG1 3.12Å; I331-V335 HydrophobicContact CG2-CG2 4.48Å |
| 332 | G | 44.7 | Very low | 41.9 | Very low | 35 Ų | 35 | 108.7 Ų | 108.7 | 36% | 0.361 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -61.6 | -30.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | M328 T334 | M328-G332 PolarHBondContact O-N 3.16Å; G332-T334 VanDerWaalsContact C-N 3.3Å; G332-T334 PolarHBondContact O-N 2.66Å |
| 333 | N | 44.7 | Very low | 41.1 | Very low | 152 Ų | 152 | 111.6 Ų | 111.6 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -81.1 | -4.7 | 178.6 | -77.1 | -0.1 | 0 | 0 | 0 | 114.3 | I331 | I331-N333 VanDerWaalsContact C-N 3.26Å; I331-N333 PolarHBondContact O-N 3.01Å |
| 334 | T | 44.7 | Very low | 40.5 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 66% | 0.663 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -110.2 | -3.2 | -178.4 | 36.4 | 0 | 0 | 0 | 0 | 114.9 | S330 I331 G332 | S330-T334 PolarHBondContact O-OG1 3.15Å; I331-T334 PolarHBondContact O-N 3.04Å; I331-T334 VanDerWaalsContact O-N 3.11Å; I331-T334 PolarHBondContact O-OG1 3.01Å; I331-T334 VanDerWaalsContact O-OG1 3.12Å; G332-T334 VanDerWaalsContact C-N 3.3Å; G332-T334 PolarHBondContact O-N 2.66Å |
| 335 | V | 43.3 | Very low | 40 | Very low | 89 Ų | 89 | 121 Ų | 121 | 54% | 0.539 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -119.7 | -10.4 | -173.2 | -175 | 0 | 0 | 0 | 0 | 115 | I331 T337 | I331-V335 HydrophobicContact CG2-CG2 4.48Å; V335-T337 PolarHBondContact O-N 2.8Å |
| 336 | D | 33.8 | Very low | 39.6 | Very low | 148 Ų | 148 | 117.9 Ų | 117.9 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 29.1 | -172.5 | -78.7 | -14.4 | 0 | 0 | 0 | 116.6 | ||
| 337 | T | 35.2 | Very low | 39 | Very low | 145 Ų | 145 | 119.7 Ų | 119.7 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 11.9 | 170.5 | 47.2 | 0 | 0 | 0 | 0 | 116 | V335 | V335-T337 PolarHBondContact O-N 2.8Š|
| 338 | S | 33.8 | Very low | 38.3 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -139.3 | 131.1 | 171.3 | 61.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 339 | I | 35.8 | Very low | 37.8 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 82% | 0.821 | 74% | 0.742 | S | S | * | * | trans | 96.4 | 62.7 | 172.3 | -45 | 158.6 | 0 | 0 | 0 | 113.9 | ||||
| 340 | V | 34.1 | Very low | 37.1 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 95% | 0.945 | 75% | 0.754 | S | S | * | * | trans | -94.7 | 108.6 | 153.3 | 174.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 341 | G | 29.4 | Very low | 36.5 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 160.5 | 105.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 342 | G | 30 | Very low | 35.8 | Very low | 72 Ų | 72 | 141.5 Ų | 141.5 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | 157.4 | 84.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V344 | G342-V344 PolarHBondContact O-N 3.31Š| ||
| 343 | N | 29.7 | Very low | 35.4 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -43.1 | 124.2 | 169.9 | -98.6 | -32.9 | 0 | 0 | 0 | 114.2 | ||||
| 344 | V | 35.4 | Very low | 34.9 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -109.1 | 101.6 | 162 | 177.1 | 0 | 0 | 0 | 0 | 108 | G342 | G342-V344 PolarHBondContact O-N 3.31Š| ||
| 345 | R | 34.6 | Very low | 34.5 | Very low | 222 Ų | 222 | 154.6 Ų | 154.6 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -80.9 | 127.1 | 170.9 | -94.8 | -178.4 | 175.1 | 176.9 | -2 | 110.2 | ||||
| 346 | T | 33.7 | Very low | 34 | Very low | 135 Ų | 135 | 158 Ų | 158 | 83% | 0.828 | 85% | 0.853 | S | S | * | * | trans | -34.6 | 129.5 | 161.9 | 33.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 347 | S | 34.4 | Very low | 34 | Very low | 118 Ų | 118 | 158.6 Ų | 158.6 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | trans | -141.8 | 72.2 | 161.3 | -62.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 348 | Q | 34.7 | Very low | 33.9 | Very low | 199 Ų | 199 | 159.4 Ų | 159.4 | 93% | 0.93 | 85% | 0.854 | S | S | * | * | trans | -99.6 | 84.8 | 163.7 | -91.9 | -167.8 | -25.7 | 0 | 0 | 107.1 | E350 | Q348-E350 PolarHBondContact O-N 3.47Š| ||
| 349 | Q | 33.7 | Very low | 33.9 | Very low | 176 Ų | 176 | 163.8 Ų | 163.8 | 82% | 0.822 | 87% | 0.869 | S | S | * | * | trans | -85.5 | 112.6 | 177.4 | -153.7 | 168.3 | -4.1 | 0 | 0 | 108.8 | L351 | Q349-L351 PolarHBondContact O-N 3.02Š| ||
| 350 | E | 35.1 | Very low | 33.8 | Very low | 180 Ų | 180 | 164 Ų | 164 | 84% | 0.841 | 87% | 0.872 | S | S | * | * | trans | -11.9 | 108.8 | 157.8 | -68.8 | 164.6 | 127.5 | 0 | 0 | 115.9 | Q348 | Q348-E350 PolarHBondContact O-N 3.47Š| ||
| 351 | L | 36.1 | Very low | 33.8 | Very low | 176 Ų | 176 | 164.6 Ų | 164.6 | 92% | 0.921 | 87% | 0.867 | S | S | * | * | trans | -131.7 | 74 | 152.6 | -109.8 | 115.7 | 0 | 0 | 0 | 107.8 | Q349 | Q349-L351 PolarHBondContact O-N 3.02Š| ||
| 352 | R | 35.3 | Very low | 34.1 | Very low | 236 Ų | 236 | 171.8 Ų | 171.8 | 89% | 0.891 | 88% | 0.877 | S | S | * | * | trans | -126.9 | 91.7 | 164.8 | -89.2 | -171.3 | -177.7 | -178.8 | 2.6 | 109 | ||||
| 353 | T | 35.1 | Very low | 34.5 | Very low | 128 Ų | 128 | 180.1 Ų | 180.1 | 79% | 0.785 | 89% | 0.888 | S | S | * | * | trans | 16.6 | 125.5 | 136.8 | 50.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 354 | K | 36.1 | Very low | 34.9 | Very low | 287 Ų | 287 | 181.8 Ų | 181.8 | 100% | 1.248 | 89% | 0.891 | S | S | * | * | trans | 83.1 | 0 | 157.2 | -73 | -173.3 | 174.8 | -175.7 | 0 | 118 |
Retrieved 354 of 354 residues in 168.6 ms
(Link to these results)