| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.2 | Very low | 55 | Low | 232 Ų | 232 | 151.5 Ų | 151.5 | 100% | 1.143 | 75% | 0.747 | S | S | * | * | 0 | 105 | 0 | -67.2 | -177.5 | 101.6 | 0 | 0 | 107.8 | |||||
| 2 | V | 47.2 | Very low | 55.9 | Low | 120 Ų | 120 | 149.8 Ų | 149.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -84.6 | 123.6 | -175.2 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | L4 | V2-L4 HydrophobicContact CG1-CD2 4.02Å; V2-L4 HydrophobicContact CG1-CG 4.2Å; V2-L4 PolarHBondContact O-N 3.22Å | ||
| 3 | F | 45.4 | Very low | 56.7 | Low | 175 Ų | 175 | 155.1 Ų | 155.1 | 77% | 0.768 | 75% | 0.749 | S | S | * | * | trans | -71.2 | 105.7 | 173.9 | -73.2 | -91.8 | 0 | 0 | 0 | 108.8 | C8 | F3-C8 HydrophobicContact CD1-CB 4.37Š| ||
| 4 | L | 56.9 | Low | 57.9 | Low | 158 Ų | 158 | 146.9 Ų | 146.9 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -97.8 | 3.2 | -171.3 | -72.8 | 164.4 | 0 | 0 | 0 | 114.6 | V2 | V2-L4 HydrophobicContact CG1-CD2 4.02Å; V2-L4 HydrophobicContact CG1-CG 4.2Å; V2-L4 PolarHBondContact O-N 3.22Å | ||
| 5 | T | 58.8 | Low | 59.5 | Low | 84 Ų | 84 | 142.8 Ų | 142.8 | 52% | 0.515 | 71% | 0.714 | S | S | . | * | trans | -110.3 | 124.7 | -179 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | S7 C8 | T5-S7 PolarHBondContact O-N 3.09Å; T5-S7 PolarHBondContact OG1-OG 3.29Å; T5-C8 PolarHBondContact O-N 3.33Å | ||
| 6 | L | 58 | Low | 61.2 | Low | 153 Ų | 153 | 140.3 Ų | 140.3 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -50 | -26.5 | 176.5 | -106.2 | 138.7 | 0 | 0 | 0 | 114.2 | C8 W9 | L6-C8 VanDerWaalsContact C-N 3.3Å; L6-C8 PolarHBondContact O-N 2.92Å; L6-W9 WeakPolarHBondContact O-CB 3.36Å; L6-W9 PolarHBondContact O-N 3.21Å; L6-W9 VanDerWaalsContact O-N 3.17Å |
| 7 | S | 57.3 | Low | 62.9 | Low | 74 Ų | 74 | 142 Ų | 142 | 52% | 0.517 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -63.1 | -29 | 177 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | T5 | T5-S7 PolarHBondContact O-N 3.09Å; T5-S7 PolarHBondContact OG1-OG 3.29Å |
| 8 | C | 54 | Low | 64.4 | Low | 79 Ų | 79 | 140.8 Ų | 140.8 | 53% | 0.534 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -84.9 | -9.9 | 177 | -68.8 | 0 | 0 | 0 | 0 | 113.3 | F3 T5 L6 | F3-C8 HydrophobicContact CD1-CB 4.37Å; T5-C8 PolarHBondContact O-N 3.33Å; L6-C8 VanDerWaalsContact C-N 3.3Å; L6-C8 PolarHBondContact O-N 2.92Å |
| 9 | W | 55.6 | Low | 66 | Low | 236 Ų | 236 | 141.8 Ų | 141.8 | 89% | 0.894 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -12.7 | 173.7 | -122.3 | 56.4 | 0 | 0 | 0 | 112.7 | L6 R11 | L6-W9 WeakPolarHBondContact O-CB 3.36Å; L6-W9 PolarHBondContact O-N 3.21Å; L6-W9 VanDerWaalsContact O-N 3.17Å; W9-R11 PolarHBondContact O-N 3.46Å |
| 10 | I | 64.1 | Low | 67.3 | Low | 105 Ų | 105 | 141.7 Ų | 141.7 | 54% | 0.538 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -76.7 | 114.1 | 171.2 | -59.6 | 170.5 | 0 | 0 | 0 | 107.3 | N12 | I10-N12 PolarHBondContact O-N 3.07Š|
| 11 | R | 63.7 | Low | 68.6 | Low | 251 Ų | 251 | 136.6 Ų | 136.6 | 95% | 0.947 | 66% | 0.66 | S | S | * | * | trans | -59.6 | 83.7 | 169.5 | -105 | -177.1 | 176.7 | 165.4 | 0.8 | 109.7 | W9 | W9-R11 PolarHBondContact O-N 3.46Š| ||
| 12 | N | 65.8 | Low | 71.1 | Confident | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | trans | -84.7 | 130.5 | 174.8 | -89.9 | -17.2 | 0 | 0 | 0 | 109.9 | I10 G14 | I10-N12 PolarHBondContact O-N 3.07Å; N12-G14 PolarHBondContact O-N 3.47Å; N12-G14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | R | 66.2 | Low | 73.4 | Confident | 218 Ų | 218 | 129.4 Ų | 129.4 | 82% | 0.823 | 62% | 0.615 | S | S | * | * | trans | -69.3 | 110.5 | 173.5 | -72.5 | -172.9 | -78.3 | -163.5 | -2.3 | 108.5 | ||||
| 14 | G | 73.4 | Confident | 75.9 | Confident | 41 Ų | 41 | 122.6 Ų | 122.6 | 42% | 0.423 | 59% | 0.587 | S | S | . | * | trans | -71.7 | -178.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N12 D16 | N12-G14 PolarHBondContact O-N 3.47Å; N12-G14 VanDerWaalsContact O-N 3.16Å; G14-D16 PolarHBondContact O-N 3.45Å; G14-D16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | P | 82.4 | Confident | 77.8 | Confident | 85 Ų | 85 | 116.3 Ų | 116.3 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 2.1 | -177.6 | 31.4 | -35.9 | 0 | 0 | 0 | 114.2 | R17 F18 W19 | P15-R17 PolarHBondContact O-N 3.47Å; P15-F18 WeakPolarHBondContact O-CB 3.49Å; P15-F18 PolarHBondContact O-N 3.35Å; P15-W19 PolarHBondContact O-N 2.92Å |
| 16 | D | 86.4 | Confident | 79.6 | Confident | 103 Ų | 103 | 119.2 Ų | 119.2 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -53 | -33.4 | -175.9 | -55.4 | -23.7 | 0 | 0 | 0 | 113.6 | G14 F18 K20 | G14-D16 PolarHBondContact O-N 3.45Å; G14-D16 VanDerWaalsContact O-N 3.1Å; D16-F18 VanDerWaalsContact C-N 3.35Å; D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.39Å; D16-K20 PolarHBondContact O-N 2.88Å; D16-K20 VanDerWaalsContact O-N 3.15Å |
| 17 | R | 89.2 | Confident | 81.5 | Confident | 169 Ų | 169 | 116.1 Ų | 116.1 | 64% | 0.638 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 176.6 | -175.8 | -175.7 | -68.1 | 175.9 | -2.3 | 111.5 | P15 K20 V21 | P15-R17 PolarHBondContact O-N 3.47Å; R17-K20 PolarHBondContact O-N 2.91Å; R17-V21 HydrophobicContact CG-CG2 4.5Å; R17-V21 VanDerWaalsContact O-CG2 3.29Å; R17-V21 WeakPolarHBondContact O-CG2 3.41Å; R17-V21 PolarHBondContact O-N 3.23Å |
| 18 | F | 91.1 | Very high | 83.4 | Confident | 121 Ų | 121 | 112.6 Ų | 112.6 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | -179.3 | 172.6 | -96.2 | 0 | 0 | 0 | 110.6 | P15 D16 K20 V21 Q22 | P15-F18 WeakPolarHBondContact O-CB 3.49Å; P15-F18 PolarHBondContact O-N 3.35Å; D16-F18 VanDerWaalsContact C-N 3.35Å; F18-K20 PolarHBondContact O-N 3.27Å; F18-V21 PolarHBondContact O-N 3.46Å; F18-Q22 WeakPolarHBondContact O-CB 3.5Å; F18-Q22 PolarHBondContact O-N 3.36Å |
| 19 | W | 93.6 | Very high | 85.4 | Confident | 159 Ų | 159 | 116.7 Ų | 116.7 | 60% | 0.602 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 179.2 | -63.5 | 116 | 0 | 0 | 0 | 112.7 | P15 V21 Q22 E23 | P15-W19 PolarHBondContact O-N 2.92Å; W19-V21 PolarHBondContact O-N 3.24Å; W19-Q22 PolarHBondContact O-N 2.9Å; W19-E23 WeakPolarHBondContact O-CB 3.5Å; W19-E23 PolarHBondContact O-N 3.25Å |
| 20 | K | 92.8 | Very high | 87.4 | Confident | 139 Ų | 139 | 112.6 Ų | 112.6 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.2 | -41.4 | 174.2 | -72 | 174.9 | -177.8 | 180 | 0 | 112.7 | D16 R17 F18 L24 | D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.39Å; D16-K20 PolarHBondContact O-N 2.88Å; D16-K20 VanDerWaalsContact O-N 3.15Å; R17-K20 PolarHBondContact O-N 2.91Å; F18-K20 PolarHBondContact O-N 3.27Å; K20-L24 PolarHBondContact O-N 2.92Å |
| 21 | V | 95.4 | Very high | 89 | Confident | 36 Ų | 36 | 109.5 Ų | 109.5 | 22% | 0.218 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | R17 F18 W19 L24 L25 Y39 | R17-V21 HydrophobicContact CG-CG2 4.5Å; R17-V21 VanDerWaalsContact O-CG2 3.29Å; R17-V21 WeakPolarHBondContact O-CG2 3.41Å; R17-V21 PolarHBondContact O-N 3.23Å; F18-V21 PolarHBondContact O-N 3.46Å; W19-V21 PolarHBondContact O-N 3.24Å; V21-L24 PolarHBondContact O-N 3.37Å; V21-L25 HydrophobicContact CG1-CD1 3.74Å; V21-L25 HydrophobicContact CG1-CG 4.2Å; V21-L25 WeakPolarHBondContact O-CB 3.37Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 3.41Å; V21-Y39 HydrophobicContact CB-CD2 4.07Å; V21-Y39 HydrophobicContact CB-CE2 4.35Å; V21-Y39 HydrophobicContact CG1-CD2 3.83Å; V21-Y39 HydrophobicContact CG1-CG 4.28Å; V21-Y39 HydrophobicContact CG2-CD2 3.73Å; V21-Y39 HydrophobicContact CG2-CE2 3.87Å; V21-Y39 HydrophobicContact CG2-CG 4.06Å |
| 22 | Q | 95.8 | Very high | 90.6 | Very high | 71 Ų | 71 | 108.9 Ų | 108.9 | 33% | 0.332 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | -178 | -172.9 | 66.9 | -13.7 | 0 | 0 | 112.5 | F18 W19 L25 K26 | F18-Q22 WeakPolarHBondContact O-CB 3.5Å; F18-Q22 PolarHBondContact O-N 3.36Å; W19-Q22 PolarHBondContact O-N 2.9Å; Q22-L25 PolarHBondContact O-N 3.38Å; Q22-K26 PolarHBondContact O-N 3.19Å |
| 23 | E | 96.6 | Very high | 92.1 | Very high | 129 Ų | 129 | 104.6 Ų | 104.6 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.1 | -48 | 172.9 | -174.9 | -176.3 | -176.9 | 0 | 0 | 110.9 | W19 K26 H27 | W19-E23 WeakPolarHBondContact O-CB 3.5Å; W19-E23 PolarHBondContact O-N 3.25Å; E23-K26 VanDerWaalsContact O-CB 3.27Å; E23-K26 WeakPolarHBondContact O-CB 3.45Å; E23-K26 PolarHBondContact O-N 2.67Å; E23-H27 PolarHBondContact O-CD2 2.88Å |
| 24 | L | 96.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 102.7 Ų | 102.7 | 17% | 0.173 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 178.3 | -171 | 142.3 | 0 | 0 | 0 | 112.2 | K20 V21 K26 H27 A28 Y39 A42 V43 V46 | K20-L24 PolarHBondContact O-N 2.92Å; V21-L24 PolarHBondContact O-N 3.37Å; L24-K26 PolarHBondContact O-N 3.26Å; L24-H27 PolarHBondContact O-N 3.02Å; L24-A28 PolarHBondContact O-N 2.87Å; L24-Y39 HydrophobicContact CB-CE2 4.15Å; L24-Y39 HydrophobicContact CD1-CE2 3.99Å; L24-Y39 HydrophobicContact CD2-CD2 4.12Å; L24-Y39 HydrophobicContact CD2-CE2 4.18Å; L24-Y39 HydrophobicContact CG-CE2 4.34Å; L24-A42 HydrophobicContact CD2-CB 3.54Å; L24-V43 HydrophobicContact CD1-CB 4.27Å; L24-V43 HydrophobicContact CD1-CG2 3.51Å; L24-V43 HydrophobicContact CD2-CG2 3.99Å; L24-V43 HydrophobicContact CG-CG2 4.42Å; L24-V46 HydrophobicContact CD2-CG2 4.36Å |
| 25 | L | 96.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 106 Ų | 106 | 13% | 0.131 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65.7 | -27.8 | 178.1 | -72.2 | 178.2 | 0 | 0 | 0 | 112.2 | V21 Q22 H27 A28 R29 A42 | V21-L25 HydrophobicContact CG1-CD1 3.74Å; V21-L25 HydrophobicContact CG1-CG 4.2Å; V21-L25 WeakPolarHBondContact O-CB 3.37Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 3.41Å; Q22-L25 PolarHBondContact O-N 3.38Å; L25-H27 PolarHBondContact O-N 2.73Å; L25-A28 CarbonylContact O-C 3.42Å; L25-A28 PolarHBondContact O-N 3.29Å; L25-R29 VanDerWaalsContact O-CG 3.29Å; L25-R29 WeakPolarHBondContact O-CG 3.42Å; L25-R29 PolarHBondContact O-N 3.18Å; L25-A42 HydrophobicContact CD2-CB 3.8Å |
| 26 | K | 97.3 | Very high | 95.3 | Very high | 145 Ų | 145 | 104.1 Ų | 104.1 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -55.1 | -41.1 | 172.1 | -170.8 | 178.4 | 177.3 | 178.9 | 0 | 111.5 | Q22 E23 L24 | Q22-K26 PolarHBondContact O-N 3.19Å; E23-K26 VanDerWaalsContact O-CB 3.27Å; E23-K26 WeakPolarHBondContact O-CB 3.45Å; E23-K26 PolarHBondContact O-N 2.67Å; L24-K26 PolarHBondContact O-N 3.26Å |
| 27 | H | 97 | Very high | 95.7 | Very high | 89 Ų | 89 | 107.5 Ų | 107.5 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.1 | -27.5 | 175.7 | -64.1 | -63.1 | 0 | 0 | 0 | 113.4 | E23 L24 L25 H30 V46 F50 | E23-H27 PolarHBondContact O-CD2 2.88Å; L24-H27 PolarHBondContact O-N 3.02Å; L25-H27 PolarHBondContact O-N 2.73Å; H27-H30 PolarHBondContact O-CE1 2.87Å; H27-H30 PolarHBondContact O-ND1 2.99Å; H27-V46 HydrophobicContact CB-CG1 4.22Å; H27-V46 HydrophobicContact CB-CG2 4.16Å; H27-F50 HydrophobicContact CB-CZ 4.39Å; H27-F50 AromaticContact CG-CZ 4Å |
| 28 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 102.1 Ų | 102.1 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -91.3 | -4.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | L24 L25 H30 F31 N36 A42 V46 | L24-A28 PolarHBondContact O-N 2.87Å; L25-A28 CarbonylContact O-C 3.42Å; L25-A28 PolarHBondContact O-N 3.29Å; A28-H30 VanDerWaalsContact C-N 3.27Å; A28-H30 PolarHBondContact O-N 3.24Å; A28-H30 VanDerWaalsContact O-N 3.12Å; A28-F31 HydrophobicContact CB-CD2 3.67Å; A28-F31 HydrophobicContact CB-CE2 3.97Å; A28-F31 VanDerWaalsContact O-CB 3.3Å; A28-F31 WeakPolarHBondContact O-CB 3.44Å; A28-F31 PolarHBondContact O-N 2.9Å; A28-N36 WeakPolarHBondContact O-CA 3.4Å; A28-N36 VanDerWaalsContact O-CB 3.24Å; A28-N36 WeakPolarHBondContact O-CB 3.5Å; A28-A42 HydrophobicContact CB-CB 3.95Å; A28-V46 HydrophobicContact CB-CG2 3.9Å |
| 29 | R | 96.5 | Very high | 96.3 | Very high | 165 Ų | 165 | 101.4 Ų | 101.4 | 62% | 0.623 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -41.4 | -171.4 | -72.6 | -172.5 | 173.2 | -168.2 | -3.4 | 114.4 | L25 F31 | L25-R29 VanDerWaalsContact O-CG 3.29Å; L25-R29 WeakPolarHBondContact O-CG 3.42Å; L25-R29 PolarHBondContact O-N 3.18Å; R29-F31 VanDerWaalsContact C-N 3.29Å; R29-F31 PolarHBondContact O-N 3.19Å |
| 30 | H | 97.1 | Very high | 96.5 | Very high | 150 Ų | 150 | 102.2 Ų | 102.2 | 69% | 0.694 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.2 | -177.1 | 64 | -82.4 | 0 | 0 | 0 | 113.6 | H27 A28 | H27-H30 PolarHBondContact O-CE1 2.87Å; H27-H30 PolarHBondContact O-ND1 2.99Å; A28-H30 VanDerWaalsContact C-N 3.27Å; A28-H30 PolarHBondContact O-N 3.24Å; A28-H30 VanDerWaalsContact O-N 3.12Å |
| 31 | F | 97.7 | Very high | 96.7 | Very high | 40 Ų | 40 | 99 Ų | 99 | 18% | 0.175 | 44% | 0.442 | C | S | . | . | trans | -72.9 | 147.7 | 177.2 | -66.8 | -22 | 0 | 0 | 0 | 111.9 | A28 R29 K35 N36 A45 V46 A49 | A28-F31 HydrophobicContact CB-CD2 3.67Å; A28-F31 HydrophobicContact CB-CE2 3.97Å; A28-F31 VanDerWaalsContact O-CB 3.3Å; A28-F31 WeakPolarHBondContact O-CB 3.44Å; A28-F31 PolarHBondContact O-N 2.9Å; R29-F31 VanDerWaalsContact C-N 3.29Å; R29-F31 PolarHBondContact O-N 3.19Å; F31-K35 HydrophobicContact CB-CB 3.99Å; F31-K35 HydrophobicContact CD2-CB 4.29Å; F31-N36 HydrophobicContact CB-CB 4.31Å; F31-N36 VanDerWaalsContact O-CB 3.3Å; F31-N36 WeakPolarHBondContact O-CB 3.46Å; F31-N36 PolarHBondContact O-ND2 3.07Å; F31-A45 HydrophobicContact CD2-CB 3.82Å; F31-A45 HydrophobicContact CE2-CB 3.56Å; F31-A45 HydrophobicContact CZ-CB 4.41Å; F31-V46 HydrophobicContact CE2-CG2 3.77Å; F31-V46 HydrophobicContact CZ-CG2 4.41Å; F31-A49 HydrophobicContact CZ-CB 4.03Å | ||
| 32 | R | 97.4 | Very high | 96.8 | Very high | 237 Ų | 237 | 97.3 Ų | 97.3 | 89% | 0.894 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -79.8 | 145.3 | 178.3 | -168.9 | 175.6 | 173.6 | -167.5 | -2.2 | 111.9 | ||
| 33 | G | 96.8 | Very high | 96.9 | Very high | 41 Ų | 41 | 96.2 Ų | 96.2 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -130.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N36 R37 | G33-N36 PolarHBondContact O-OD1 3.44Å; G33-R37 PolarHBondContact O-NH2 3.13Å; G33-R37 VanDerWaalsContact O-NH2 3.1Å |
| 34 | R | 97.4 | Very high | 97 | Very high | 179 Ų | 179 | 94.7 Ų | 94.7 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11.4 | 178.4 | -69.8 | -167.8 | -78.8 | -179.4 | -5 | 113.7 | N36 R37 C38 L41 | R34-N36 PolarHBondContact O-N 3.26Å; R34-R37 PolarHBondContact O-N 3.31Å; R34-C38 WeakPolarHBondContact O-CB 3.48Å; R34-C38 PolarHBondContact O-N 3.45Å; R34-L41 HydrophobicContact CB-CD1 3.76Å |
| 35 | K | 97.1 | Very high | 97 | Very high | 110 Ų | 110 | 93.9 Ų | 93.9 | 48% | 0.478 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -18.2 | -176.4 | -65.4 | 173.9 | -177.4 | 174.2 | 0 | 113.6 | F31 L41 A42 A45 | F31-K35 HydrophobicContact CB-CB 3.99Å; F31-K35 HydrophobicContact CD2-CB 4.29Å; K35-L41 HydrophobicContact CG-CB 4.34Å; K35-A42 WeakPolarHBondContact O-CA 3.36Å; K35-A42 VanDerWaalsContact O-CB 3.25Å; K35-A42 WeakPolarHBondContact O-CB 3.45Å; K35-A45 HydrophobicContact CB-CB 4.35Å; K35-A45 HydrophobicContact CD-CB 4.17Å; K35-A45 HydrophobicContact CG-CB 4.44Å |
| 36 | N | 96 | Very high | 97.1 | Very high | 45 Ų | 45 | 93 Ų | 93 | 24% | 0.241 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10.5 | 176 | 63.4 | -3.1 | 0 | 0 | 0 | 114.2 | A28 F31 G33 R34 | A28-N36 WeakPolarHBondContact O-CA 3.4Å; A28-N36 VanDerWaalsContact O-CB 3.24Å; A28-N36 WeakPolarHBondContact O-CB 3.5Å; F31-N36 HydrophobicContact CB-CB 4.31Å; F31-N36 VanDerWaalsContact O-CB 3.3Å; F31-N36 WeakPolarHBondContact O-CB 3.46Å; F31-N36 PolarHBondContact O-ND2 3.07Å; G33-N36 PolarHBondContact O-OD1 3.44Å; R34-N36 PolarHBondContact O-N 3.26Å |
| 37 | R | 94.6 | Very high | 97.1 | Very high | 175 Ų | 175 | 95.1 Ų | 95.1 | 66% | 0.66 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -45.9 | -173.4 | -75.7 | 173.9 | -73.1 | -179.3 | 0.1 | 112.5 | G33 R34 Y39 | G33-R37 PolarHBondContact O-NH2 3.13Å; G33-R37 VanDerWaalsContact O-NH2 3.1Å; R34-R37 PolarHBondContact O-N 3.31Å; R37-Y39 PolarHBondContact O-N 3.27Å |
| 38 | C | 96.9 | Very high | 97.1 | Very high | 55 Ų | 55 | 98.9 Ų | 98.9 | 37% | 0.372 | 43% | 0.434 | S | S | . | . | trans | -83.8 | 114.3 | -176.6 | -59 | 0 | 0 | 0 | 0 | 111.1 | R34 K40 L41 A42 | R34-C38 WeakPolarHBondContact O-CB 3.48Å; R34-C38 PolarHBondContact O-N 3.45Å; C38-K40 PolarHBondContact O-N 3.24Å; C38-L41 HydrophobicContact CB-CB 4.33Å; C38-L41 HydrophobicContact CB-CD1 4.16Å; C38-L41 HydrophobicContact CB-CG 4.27Å; C38-L41 PolarHBondContact O-N 3.34Å; C38-L41 VanDerWaalsContact O-N 3.08Å; C38-A42 WeakPolarHBondContact O-CB 3.39Å; C38-A42 PolarHBondContact O-N 3.44Å | ||
| 39 | Y | 96.1 | Very high | 97.1 | Very high | 106 Ų | 106 | 100.6 Ų | 100.6 | 42% | 0.416 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -50.4 | -48.7 | -177.3 | 178.4 | -106.9 | 0 | 0 | 0 | 113.9 | V21 L24 R37 L41 A42 V43 | V21-Y39 HydrophobicContact CB-CD2 4.07Å; V21-Y39 HydrophobicContact CB-CE2 4.35Å; V21-Y39 HydrophobicContact CG1-CD2 3.83Å; V21-Y39 HydrophobicContact CG1-CG 4.28Å; V21-Y39 HydrophobicContact CG2-CD2 3.73Å; V21-Y39 HydrophobicContact CG2-CE2 3.87Å; V21-Y39 HydrophobicContact CG2-CG 4.06Å; L24-Y39 HydrophobicContact CB-CE2 4.15Å; L24-Y39 HydrophobicContact CD1-CE2 3.99Å; L24-Y39 HydrophobicContact CD2-CD2 4.12Å; L24-Y39 HydrophobicContact CD2-CE2 4.18Å; L24-Y39 HydrophobicContact CG-CE2 4.34Å; R37-Y39 PolarHBondContact O-N 3.27Å; Y39-L41 VanDerWaalsContact C-N 3.28Å; Y39-L41 PolarHBondContact O-N 2.98Å; Y39-A42 WeakPolarHBondContact O-CB 3.4Å; Y39-A42 PolarHBondContact O-N 2.95Å; Y39-A42 VanDerWaalsContact O-N 3.14Å; Y39-V43 HydrophobicContact CD1-CG2 4.21Å; Y39-V43 HydrophobicContact CD2-CG2 4.09Å; Y39-V43 HydrophobicContact CE1-CG2 3.85Å; Y39-V43 HydrophobicContact CE2-CG2 3.74Å; Y39-V43 HydrophobicContact CG-CG2 4.32Å; Y39-V43 VanDerWaalsContact O-CG2 3.25Å; Y39-V43 WeakPolarHBondContact O-CG2 3.49Å; Y39-V43 PolarHBondContact O-N 3Å |
| 40 | K | 96.8 | Very high | 97.2 | Very high | 177 Ų | 177 | 97.9 Ų | 97.9 | 77% | 0.77 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.9 | -39.2 | -179.2 | -169.6 | 175.2 | -176.7 | 177.4 | 0 | 112.8 | C38 | C38-K40 PolarHBondContact O-N 3.24Å |
| 41 | L | 97.4 | Very high | 97.3 | Very high | 71 Ų | 71 | 94 Ų | 94 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -78.4 | -37.4 | 177.9 | -62 | -179.9 | 0 | 0 | 0 | 111.7 | R34 K35 C38 Y39 L44 A45 | R34-L41 HydrophobicContact CB-CD1 3.76Å; K35-L41 HydrophobicContact CG-CB 4.34Å; C38-L41 HydrophobicContact CB-CB 4.33Å; C38-L41 HydrophobicContact CB-CD1 4.16Å; C38-L41 HydrophobicContact CB-CG 4.27Å; C38-L41 PolarHBondContact O-N 3.34Å; C38-L41 VanDerWaalsContact O-N 3.08Å; Y39-L41 VanDerWaalsContact C-N 3.28Å; Y39-L41 PolarHBondContact O-N 2.98Å; L41-L44 PolarHBondContact O-N 2.65Å; L41-A45 PolarHBondContact O-N 3Å; L41-A45 VanDerWaalsContact O-N 3.11Å |
| 42 | A | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 99.2 Ų | 99.2 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L24 L25 A28 K35 C38 Y39 L44 A45 V46 | L24-A42 HydrophobicContact CD2-CB 3.54Å; L25-A42 HydrophobicContact CD2-CB 3.8Å; A28-A42 HydrophobicContact CB-CB 3.95Å; K35-A42 WeakPolarHBondContact O-CA 3.36Å; K35-A42 VanDerWaalsContact O-CB 3.25Å; K35-A42 WeakPolarHBondContact O-CB 3.45Å; C38-A42 WeakPolarHBondContact O-CB 3.39Å; C38-A42 PolarHBondContact O-N 3.44Å; Y39-A42 WeakPolarHBondContact O-CB 3.4Å; Y39-A42 PolarHBondContact O-N 2.95Å; Y39-A42 VanDerWaalsContact O-N 3.14Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.4Å; A42-A45 PolarHBondContact O-N 3.22Å; A42-A45 VanDerWaalsContact O-N 3.13Å; A42-V46 WeakPolarHBondContact O-CB 3.47Å; A42-V46 VanDerWaalsContact O-CG2 3.28Å; A42-V46 WeakPolarHBondContact O-CG2 3.4Å; A42-V46 PolarHBondContact O-N 3.05Å |
| 43 | V | 97.8 | Very high | 97.3 | Very high | 48 Ų | 48 | 90 Ų | 90 | 29% | 0.291 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -54.7 | -48.7 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | L24 Y39 A45 R47 | L24-V43 HydrophobicContact CD1-CB 4.27Å; L24-V43 HydrophobicContact CD1-CG2 3.51Å; L24-V43 HydrophobicContact CD2-CG2 3.99Å; L24-V43 HydrophobicContact CG-CG2 4.42Å; Y39-V43 HydrophobicContact CD1-CG2 4.21Å; Y39-V43 HydrophobicContact CD2-CG2 4.09Å; Y39-V43 HydrophobicContact CE1-CG2 3.85Å; Y39-V43 HydrophobicContact CE2-CG2 3.74Å; Y39-V43 HydrophobicContact CG-CG2 4.32Å; Y39-V43 VanDerWaalsContact O-CG2 3.25Å; Y39-V43 WeakPolarHBondContact O-CG2 3.49Å; Y39-V43 PolarHBondContact O-N 3Å; V43-A45 PolarHBondContact O-N 3.5Å; V43-R47 VanDerWaalsContact O-CB 3.29Å; V43-R47 WeakPolarHBondContact O-CB 3.31Å; V43-R47 PolarHBondContact O-N 2.95Å |
| 44 | L | 97.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 91.9 Ų | 91.9 | 51% | 0.508 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 179.5 | -63.5 | 174.6 | 0 | 0 | 0 | 111.8 | L41 A42 R48 | L41-L44 PolarHBondContact O-N 2.65Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.4Å; L44-R48 VanDerWaalsContact O-CG 3.31Å; L44-R48 WeakPolarHBondContact O-CG 3.44Å; L44-R48 PolarHBondContact O-N 3.03Å |
| 45 | A | 97.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 89.4 Ų | 89.4 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.8 | -47.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F31 K35 L41 A42 V43 R48 A49 | F31-A45 HydrophobicContact CD2-CB 3.82Å; F31-A45 HydrophobicContact CE2-CB 3.56Å; F31-A45 HydrophobicContact CZ-CB 4.41Å; K35-A45 HydrophobicContact CB-CB 4.35Å; K35-A45 HydrophobicContact CD-CB 4.17Å; K35-A45 HydrophobicContact CG-CB 4.44Å; L41-A45 PolarHBondContact O-N 3Å; L41-A45 VanDerWaalsContact O-N 3.11Å; A42-A45 PolarHBondContact O-N 3.22Å; A42-A45 VanDerWaalsContact O-N 3.13Å; V43-A45 PolarHBondContact O-N 3.5Å; A45-R48 PolarHBondContact O-N 3.03Å; A45-A49 WeakPolarHBondContact O-CB 3.27Å; A45-A49 PolarHBondContact O-N 3.18Å |
| 46 | V | 98 | Very high | 97.4 | Very high | 6 Ų | 6 | 86.9 Ų | 86.9 | 4% | 0.036 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | L24 H27 A28 F31 A42 R48 A49 F50 | L24-V46 HydrophobicContact CD2-CG2 4.36Å; H27-V46 HydrophobicContact CB-CG1 4.22Å; H27-V46 HydrophobicContact CB-CG2 4.16Å; A28-V46 HydrophobicContact CB-CG2 3.9Å; F31-V46 HydrophobicContact CE2-CG2 3.77Å; F31-V46 HydrophobicContact CZ-CG2 4.41Å; A42-V46 WeakPolarHBondContact O-CB 3.47Å; A42-V46 VanDerWaalsContact O-CG2 3.28Å; A42-V46 WeakPolarHBondContact O-CG2 3.4Å; A42-V46 PolarHBondContact O-N 3.05Å; V46-R48 VanDerWaalsContact C-N 3.34Å; V46-R48 PolarHBondContact O-N 3.33Å; V46-A49 WeakPolarHBondContact O-CB 3.42Å; V46-A49 PolarHBondContact O-N 3.49Å; V46-A49 VanDerWaalsContact O-N 3.15Å; V46-F50 HydrophobicContact CG1-CD2 3.86Å; V46-F50 HydrophobicContact CG1-CE1 4.13Å; V46-F50 HydrophobicContact CG1-CE2 3.35Å; V46-F50 HydrophobicContact CG1-CG 4.44Å; V46-F50 HydrophobicContact CG1-CZ 3.51Å; V46-F50 WeakPolarHBondContact O-CG 3.31Å; V46-F50 PolarHBondContact O-N 3.3Å |
| 47 | R | 97.6 | Very high | 97.5 | Very high | 190 Ų | 190 | 92.4 Ų | 92.4 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.2 | -45.5 | 176.8 | -173.7 | 176.6 | -178.4 | -179.9 | 1 | 111.8 | V43 F50 V51 | V43-R47 VanDerWaalsContact O-CB 3.29Å; V43-R47 WeakPolarHBondContact O-CB 3.31Å; V43-R47 PolarHBondContact O-N 2.95Å; R47-F50 PolarHBondContact O-N 3.39Å; R47-V51 WeakPolarHBondContact O-CG2 3.38Å; R47-V51 PolarHBondContact O-N 3.4Å; R47-V51 VanDerWaalsContact O-N 3.16Å |
| 48 | R | 97.9 | Very high | 97.6 | Very high | 168 Ų | 168 | 91.5 Ų | 91.5 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.9 | -44.2 | 175.8 | -72.7 | 175.6 | -177.8 | -172.5 | 1.4 | 111.5 | L44 A45 V46 F50 V51 Y52 | L44-R48 VanDerWaalsContact O-CG 3.31Å; L44-R48 WeakPolarHBondContact O-CG 3.44Å; L44-R48 PolarHBondContact O-N 3.03Å; A45-R48 PolarHBondContact O-N 3.03Å; V46-R48 VanDerWaalsContact C-N 3.34Å; V46-R48 PolarHBondContact O-N 3.33Å; R48-F50 VanDerWaalsContact C-N 3.34Å; R48-F50 PolarHBondContact O-N 3.2Å; R48-V51 PolarHBondContact O-N 3.32Å; R48-Y52 HydrophobicContact CB-CE2 4.37Å; R48-Y52 WeakPolarHBondContact O-CD2 3.3Å; R48-Y52 PolarHBondContact O-N 3.27Å |
| 49 | A | 97.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 92.7 Ų | 92.7 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F31 A45 V46 Y52 A53 | F31-A49 HydrophobicContact CZ-CB 4.03Å; A45-A49 WeakPolarHBondContact O-CB 3.27Å; A45-A49 PolarHBondContact O-N 3.18Å; V46-A49 WeakPolarHBondContact O-CB 3.42Å; V46-A49 PolarHBondContact O-N 3.49Å; V46-A49 VanDerWaalsContact O-N 3.15Å; A49-Y52 PolarHBondContact O-N 3.05Å; A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 3.02Å |
| 50 | F | 98 | Very high | 97.7 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 47% | 0.469 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 177.4 | -68.1 | -19.2 | 0 | 0 | 0 | 113.5 | H27 V46 R47 R48 A53 T54 | H27-F50 HydrophobicContact CB-CZ 4.39Å; H27-F50 AromaticContact CG-CZ 4Å; V46-F50 HydrophobicContact CG1-CD2 3.86Å; V46-F50 HydrophobicContact CG1-CE1 4.13Å; V46-F50 HydrophobicContact CG1-CE2 3.35Å; V46-F50 HydrophobicContact CG1-CG 4.44Å; V46-F50 HydrophobicContact CG1-CZ 3.51Å; V46-F50 WeakPolarHBondContact O-CG 3.31Å; V46-F50 PolarHBondContact O-N 3.3Å; R47-F50 PolarHBondContact O-N 3.39Å; R48-F50 VanDerWaalsContact C-N 3.34Å; R48-F50 PolarHBondContact O-N 3.2Å; F50-A53 PolarHBondContact O-N 3.01Å; F50-T54 PolarHBondContact O-N 3.29Å; F50-T54 VanDerWaalsContact O-N 3.09Å; F50-T54 PolarHBondContact O-OG1 3.21Å; F50-T54 VanDerWaalsContact O-OG1 3.14Å |
| 51 | V | 98.3 | Very high | 97.7 | Very high | 69 Ų | 69 | 94 Ų | 94 | 42% | 0.418 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 172.7 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | R47 R48 T54 K55 | R47-V51 WeakPolarHBondContact O-CG2 3.38Å; R47-V51 PolarHBondContact O-N 3.4Å; R47-V51 VanDerWaalsContact O-N 3.16Å; R48-V51 PolarHBondContact O-N 3.32Å; V51-T54 PolarHBondContact O-N 3.49Å; V51-K55 HydrophobicContact CG1-CD 4.05Å; V51-K55 WeakPolarHBondContact O-CG 3.49Å; V51-K55 PolarHBondContact O-N 2.96Å |
| 52 | Y | 98.2 | Very high | 97.7 | Very high | 150 Ų | 150 | 98.7 Ų | 98.7 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 176.5 | -71.8 | -49.2 | 0 | 0 | 0 | 112.2 | R48 A49 T54 K55 S56 | R48-Y52 HydrophobicContact CB-CE2 4.37Å; R48-Y52 WeakPolarHBondContact O-CD2 3.3Å; R48-Y52 PolarHBondContact O-N 3.27Å; A49-Y52 PolarHBondContact O-N 3.05Å; Y52-T54 VanDerWaalsContact C-N 3.27Å; Y52-T54 PolarHBondContact O-N 3.03Å; Y52-K55 PolarHBondContact O-N 3Å; Y52-S56 WeakPolarHBondContact O-CB 3.36Å; Y52-S56 PolarHBondContact O-N 3.17Å; Y52-S56 PolarHBondContact O-OG 3.5Å |
| 53 | A | 97.8 | Very high | 97.7 | Very high | 44 Ų | 44 | 103.8 Ų | 103.8 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.3 | -45.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A49 F50 S56 R57 | A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 3.02Å; F50-A53 PolarHBondContact O-N 3.01Å; A53-S56 PolarHBondContact O-N 2.84Å; A53-R57 WeakPolarHBondContact O-CG 3.48Å; A53-R57 PolarHBondContact O-N 3.4Å |
| 54 | T | 97.6 | Very high | 97.8 | Very high | 80 Ų | 80 | 104.7 Ų | 104.7 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | F50 V51 Y52 R57 | F50-T54 PolarHBondContact O-N 3.29Å; F50-T54 VanDerWaalsContact O-N 3.09Å; F50-T54 PolarHBondContact O-OG1 3.21Å; F50-T54 VanDerWaalsContact O-OG1 3.14Å; V51-T54 PolarHBondContact O-N 3.49Å; Y52-T54 VanDerWaalsContact C-N 3.27Å; Y52-T54 PolarHBondContact O-N 3.03Å; T54-R57 PolarHBondContact OG1-NH1 2.96Å |
| 55 | K | 98.1 | Very high | 97.8 | Very high | 127 Ų | 127 | 106.4 Ų | 106.4 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 175.5 | -71.5 | 179.3 | 178.3 | -176.5 | 0 | 111.8 | V51 Y52 R57 K58 L59 | V51-K55 HydrophobicContact CG1-CD 4.05Å; V51-K55 WeakPolarHBondContact O-CG 3.49Å; V51-K55 PolarHBondContact O-N 2.96Å; Y52-K55 PolarHBondContact O-N 3Å; K55-R57 VanDerWaalsContact C-N 3.29Å; K55-R57 PolarHBondContact O-N 3.42Å; K55-K58 PolarHBondContact O-N 3.22Å; K55-K58 VanDerWaalsContact O-N 3.1Å; K55-L59 PolarHBondContact O-N 3.39Å |
| 56 | S | 98.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 109.5 Ų | 109.5 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -26.5 | -177.5 | -67.7 | 0 | 0 | 0 | 0 | 113.4 | Y52 A53 K58 L59 K60 | Y52-S56 WeakPolarHBondContact O-CB 3.36Å; Y52-S56 PolarHBondContact O-N 3.17Å; Y52-S56 PolarHBondContact O-OG 3.5Å; A53-S56 PolarHBondContact O-N 2.84Å; S56-K58 VanDerWaalsContact C-N 3.28Å; S56-K58 PolarHBondContact O-N 3.15Å; S56-L59 PolarHBondContact O-N 2.97Å; S56-K60 WeakPolarHBondContact O-CB 3.4Å; S56-K60 PolarHBondContact O-N 3.14Å |
| 57 | R | 97.1 | Very high | 97.8 | Very high | 160 Ų | 160 | 112.5 Ų | 112.5 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.5 | -40.1 | 171.7 | -68.1 | -179.5 | -164.5 | 116.7 | 2 | 112.1 | A53 T54 K55 | A53-R57 WeakPolarHBondContact O-CG 3.48Å; A53-R57 PolarHBondContact O-N 3.4Å; T54-R57 PolarHBondContact OG1-NH1 2.96Å; K55-R57 VanDerWaalsContact C-N 3.29Å; K55-R57 PolarHBondContact O-N 3.42Å |
| 58 | K | 96.6 | Very high | 97.8 | Very high | 157 Ų | 157 | 106.2 Ų | 106.2 | 68% | 0.683 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.1 | -41.8 | 176.5 | -66.1 | -177.2 | 178.7 | -178.1 | 0 | 111.2 | K55 S56 K61 R62 | K55-K58 PolarHBondContact O-N 3.22Å; K55-K58 VanDerWaalsContact O-N 3.1Å; S56-K58 VanDerWaalsContact C-N 3.28Å; S56-K58 PolarHBondContact O-N 3.15Å; K58-K61 PolarHBondContact O-N 2.91Å; K58-R62 PolarHBondContact O-N 2.99Å |
| 59 | L | 98 | Very high | 97.8 | Very high | 79 Ų | 79 | 100.5 Ų | 100.5 | 41% | 0.414 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 178.1 | -65.2 | 173.4 | 0 | 0 | 0 | 112.5 | K55 S56 K61 R62 N63 | K55-L59 PolarHBondContact O-N 3.39Å; S56-L59 PolarHBondContact O-N 2.97Å; L59-K61 VanDerWaalsContact C-N 3.26Å; L59-K61 PolarHBondContact O-N 3.41Å; L59-R62 WeakPolarHBondContact O-CA 3.42Å; L59-R62 WeakPolarHBondContact O-CB 3.32Å; L59-R62 PolarHBondContact O-N 3.07Å; L59-N63 PolarHBondContact O-N 3.1Å; L59-N63 PolarHBondContact O-OD1 3.34Å |
| 60 | K | 98 | Very high | 97.9 | Very high | 146 Ų | 146 | 102.9 Ų | 102.9 | 64% | 0.635 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -53.9 | -43.7 | 176.7 | -175.9 | 177.4 | -179.7 | 178.9 | 0 | 111.3 | S56 R62 N63 M64 | S56-K60 WeakPolarHBondContact O-CB 3.4Å; S56-K60 PolarHBondContact O-N 3.14Å; K60-R62 VanDerWaalsContact C-N 3.33Å; K60-R62 PolarHBondContact O-N 3.27Å; K60-N63 PolarHBondContact O-N 3.19Å; K60-M64 HydrophobicContact CG-CG 4.34Å; K60-M64 WeakPolarHBondContact O-CB 3.4Å; K60-M64 WeakPolarHBondContact O-CG 3.34Å; K60-M64 PolarHBondContact O-N 3.03Å |
| 61 | K | 96.7 | Very high | 97.9 | Very high | 166 Ų | 166 | 103 Ų | 103 | 72% | 0.722 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -40 | 177.5 | -62.7 | -177.1 | -178 | -172.7 | 0 | 112.1 | K58 L59 R65 | K58-K61 PolarHBondContact O-N 2.91Å; L59-K61 VanDerWaalsContact C-N 3.26Å; L59-K61 PolarHBondContact O-N 3.41Å; K61-R65 PolarHBondContact O-N 2.99Å |
| 62 | R | 97.8 | Very high | 97.9 | Very high | 168 Ų | 168 | 99.7 Ų | 99.7 | 63% | 0.634 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68.2 | -48.9 | 176.6 | -63.7 | -179.9 | -178.1 | 168.5 | -2.5 | 111.4 | K58 L59 K60 M64 R65 T66 | K58-R62 PolarHBondContact O-N 2.99Å; L59-R62 WeakPolarHBondContact O-CA 3.42Å; L59-R62 WeakPolarHBondContact O-CB 3.32Å; L59-R62 PolarHBondContact O-N 3.07Å; K60-R62 VanDerWaalsContact C-N 3.33Å; K60-R62 PolarHBondContact O-N 3.27Å; R62-M64 VanDerWaalsContact C-N 3.34Å; R62-M64 PolarHBondContact O-N 3.47Å; R62-R65 WeakPolarHBondContact O-CB 3.47Å; R62-R65 PolarHBondContact O-N 3.49Å; R62-R65 VanDerWaalsContact O-N 3.12Å; R62-T66 PolarHBondContact O-N 3.24Å; R62-T66 PolarHBondContact O-OG1 3.17Å |
| 63 | N | 98.3 | Very high | 97.8 | Very high | 107 Ų | 107 | 93.3 Ų | 93.3 | 57% | 0.572 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61 | -42 | -179.6 | -66.2 | 0.5 | 0 | 0 | 0 | 111.7 | L59 K60 R65 T66 L67 | L59-N63 PolarHBondContact O-N 3.1Å; L59-N63 PolarHBondContact O-OD1 3.34Å; K60-N63 PolarHBondContact O-N 3.19Å; N63-R65 PolarHBondContact O-N 3.12Å; N63-T66 PolarHBondContact O-N 3.38Å; N63-L67 WeakPolarHBondContact O-CB 3.22Å; N63-L67 PolarHBondContact O-N 3.19Å |
| 64 | M | 98.4 | Very high | 97.8 | Very high | 67 Ų | 67 | 93.3 Ų | 93.3 | 33% | 0.33 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.1 | -70.5 | -57.8 | -61.2 | 0 | 0 | 111.9 | K60 R62 L67 W68 | K60-M64 HydrophobicContact CG-CG 4.34Å; K60-M64 WeakPolarHBondContact O-CB 3.4Å; K60-M64 WeakPolarHBondContact O-CG 3.34Å; K60-M64 PolarHBondContact O-N 3.03Å; R62-M64 VanDerWaalsContact C-N 3.34Å; R62-M64 PolarHBondContact O-N 3.47Å; M64-L67 PolarHBondContact O-N 2.96Å; M64-W68 HydrophobicContact CB-CH2 4.18Å; M64-W68 HydrophobicContact CB-CZ2 4.04Å; M64-W68 HydrophobicContact CE-CZ2 3.84Å; M64-W68 VanDerWaalsContact O-CG 3.22Å; M64-W68 PolarHBondContact O-N 3.49Å |
| 65 | R | 97.6 | Very high | 97.8 | Very high | 133 Ų | 133 | 89.9 Ų | 89.9 | 50% | 0.502 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.4 | -178 | 176.6 | 177.5 | 166.2 | -2.1 | 111.4 | K61 R62 N63 W68 I69 | K61-R65 PolarHBondContact O-N 2.99Å; R62-R65 WeakPolarHBondContact O-CB 3.47Å; R62-R65 PolarHBondContact O-N 3.49Å; R62-R65 VanDerWaalsContact O-N 3.12Å; N63-R65 PolarHBondContact O-N 3.12Å; R65-W68 PolarHBondContact O-N 3.38Å; R65-I69 HydrophobicContact CG-CD1 4.03Å; R65-I69 VanDerWaalsContact O-CG1 3.26Å; R65-I69 WeakPolarHBondContact O-CG1 3.47Å; R65-I69 PolarHBondContact O-N 3.22Å |
| 66 | T | 98.2 | Very high | 97.8 | Very high | 83 Ų | 83 | 83.9 Ų | 83.9 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 111 | R62 N63 W68 I69 T70 | R62-T66 PolarHBondContact O-N 3.24Å; R62-T66 PolarHBondContact O-OG1 3.17Å; N63-T66 PolarHBondContact O-N 3.38Å; T66-W68 PolarHBondContact O-N 3.4Å; T66-I69 PolarHBondContact O-N 3.07Å; T66-I69 VanDerWaalsContact O-N 3.17Å; T66-T70 PolarHBondContact O-N 3.45Å; T66-T70 PolarHBondContact O-OG1 3.08Å; T66-T70 VanDerWaalsContact O-OG1 3.09Å |
| 67 | L | 98.2 | Very high | 97.7 | Very high | 68 Ų | 68 | 89.1 Ų | 89.1 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 177.3 | 177.5 | 63.2 | 0 | 0 | 0 | 112.2 | N63 M64 I69 T70 R71 | N63-L67 WeakPolarHBondContact O-CB 3.22Å; N63-L67 PolarHBondContact O-N 3.19Å; M64-L67 PolarHBondContact O-N 2.96Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 2.95Å; L67-T70 PolarHBondContact O-N 3.41Å; L67-R71 HydrophobicContact CD1-CG 4.39Å; L67-R71 WeakPolarHBondContact O-CG 3.37Å; L67-R71 PolarHBondContact O-N 2.96Å |
| 68 | W | 98.3 | Very high | 97.6 | Very high | 59 Ų | 59 | 88.6 Ų | 88.6 | 22% | 0.223 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.9 | -60.1 | -34.3 | 0 | 0 | 0 | 111.8 | M64 R65 T66 T70 R71 I72 R99 R100 | M64-W68 HydrophobicContact CB-CH2 4.18Å; M64-W68 HydrophobicContact CB-CZ2 4.04Å; M64-W68 HydrophobicContact CE-CZ2 3.84Å; M64-W68 VanDerWaalsContact O-CG 3.22Å; M64-W68 PolarHBondContact O-N 3.49Å; R65-W68 PolarHBondContact O-N 3.38Å; T66-W68 PolarHBondContact O-N 3.4Å; W68-T70 PolarHBondContact O-N 2.98Å; W68-R71 PolarHBondContact O-N 3.36Å; W68-I72 WeakPolarHBondContact O-CD1 3.17Å; W68-I72 WeakPolarHBondContact O-CG1 3.46Å; W68-I72 PolarHBondContact O-N 3.46Å; W68-R99 HydrophobicContact CB-CB 4.21Å; W68-R99 HydrophobicContact CE3-CB 4.34Å; W68-R100 HydrophobicContact CD2-CB 4.02Å; W68-R100 HydrophobicContact CE3-CB 4.07Å; W68-R100 HydrophobicContact CH2-CB 3.78Å; W68-R100 HydrophobicContact CH2-CG 4.13Å; W68-R100 HydrophobicContact CZ2-CB 3.7Å; W68-R100 HydrophobicContact CZ2-CG 3.65Å; W68-R100 HydrophobicContact CZ3-CB 3.96Å |
| 69 | I | 98 | Very high | 97.6 | Very high | 47 Ų | 47 | 83.1 Ų | 83.1 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.9 | -68.1 | 168.8 | 0 | 0 | 0 | 110.6 | R65 T66 L67 R71 I72 A73 Y83 | R65-I69 HydrophobicContact CG-CD1 4.03Å; R65-I69 VanDerWaalsContact O-CG1 3.26Å; R65-I69 WeakPolarHBondContact O-CG1 3.47Å; R65-I69 PolarHBondContact O-N 3.22Å; T66-I69 PolarHBondContact O-N 3.07Å; T66-I69 VanDerWaalsContact O-N 3.17Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 2.95Å; I69-R71 PolarHBondContact O-N 3.47Å; I69-I72 PolarHBondContact O-N 3.28Å; I69-A73 VanDerWaalsContact O-CB 3.24Å; I69-A73 WeakPolarHBondContact O-CB 3.33Å; I69-A73 PolarHBondContact O-N 2.91Å; I69-Y83 HydrophobicContact CG1-CE2 4.26Å; I69-Y83 HydrophobicContact CG2-CD1 4.14Å; I69-Y83 HydrophobicContact CG2-CD2 4.45Å; I69-Y83 HydrophobicContact CG2-CE1 3.9Å; I69-Y83 HydrophobicContact CG2-CE2 4.22Å; I69-Y83 HydrophobicContact CG2-CG 4.41Å |
| 70 | T | 98.2 | Very high | 97.4 | Very high | 86 Ų | 86 | 86.2 Ų | 86.2 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 179.2 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | T66 L67 W68 A73 A74 | T66-T70 PolarHBondContact O-N 3.45Å; T66-T70 PolarHBondContact O-OG1 3.08Å; T66-T70 VanDerWaalsContact O-OG1 3.09Å; L67-T70 PolarHBondContact O-N 3.41Å; W68-T70 PolarHBondContact O-N 2.98Å; T70-A73 PolarHBondContact O-N 3.49Å; T70-A74 PolarHBondContact O-N 3.47Å |
| 71 | R | 98 | Very high | 97.3 | Very high | 110 Ų | 110 | 79.9 Ų | 79.9 | 42% | 0.415 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -48.8 | 176.3 | -73.3 | 173.9 | 174.4 | -174.1 | -2.5 | 112.2 | L67 W68 I69 A73 A74 A75 S103 | L67-R71 HydrophobicContact CD1-CG 4.39Å; L67-R71 WeakPolarHBondContact O-CG 3.37Å; L67-R71 PolarHBondContact O-N 2.96Å; W68-R71 PolarHBondContact O-N 3.36Å; I69-R71 PolarHBondContact O-N 3.47Å; R71-A73 VanDerWaalsContact C-N 3.29Å; R71-A73 PolarHBondContact O-N 3.09Å; R71-A74 WeakPolarHBondContact O-CB 3.46Å; R71-A74 PolarHBondContact O-N 2.95Å; R71-A75 PolarHBondContact O-N 3.26Å; R71-S103 WeakPolarHBondContact CB-OG 3.3Å; R71-S103 WeakPolarHBondContact CD-OG 3.24Å |
| 72 | I | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.1 | -61.3 | 164.8 | 0 | 0 | 0 | 110.1 | W68 I69 A74 A75 T76 Y83 L86 R99 I102 F113 | W68-I72 WeakPolarHBondContact O-CD1 3.17Å; W68-I72 WeakPolarHBondContact O-CG1 3.46Å; W68-I72 PolarHBondContact O-N 3.46Å; I69-I72 PolarHBondContact O-N 3.28Å; I72-A74 VanDerWaalsContact C-N 3.3Å; I72-A74 PolarHBondContact O-N 3.29Å; I72-A75 PolarHBondContact O-N 3.16Å; I72-T76 HydrophobicContact CG2-CG2 4.16Å; I72-T76 WeakPolarHBondContact O-CG2 3.22Å; I72-T76 PolarHBondContact O-N 3.38Å; I72-T76 PolarHBondContact O-OG1 2.84Å; I72-Y83 HydrophobicContact CB-CD2 4.01Å; I72-Y83 HydrophobicContact CB-CE2 4.37Å; I72-Y83 HydrophobicContact CD1-CE2 4.35Å; I72-Y83 HydrophobicContact CG2-CD2 3.67Å; I72-Y83 HydrophobicContact CG2-CE2 4.2Å; I72-L86 HydrophobicContact CG2-CD2 3.69Å; I72-R99 HydrophobicContact CD1-CB 4.12Å; I72-R99 HydrophobicContact CD1-CG 4.36Å; I72-I102 HydrophobicContact CD1-CB 3.9Å; I72-I102 HydrophobicContact CD1-CG2 3.82Å; I72-I102 HydrophobicContact CG1-CB 4.35Å; I72-I102 HydrophobicContact CG1-CG2 3.88Å; I72-I102 HydrophobicContact CG2-CG2 4.13Å; I72-F113 HydrophobicContact CG2-CZ 4.47Å |
| 73 | A | 97.9 | Very high | 97.2 | Very high | 15 Ų | 15 | 73 Ų | 73 | 12% | 0.124 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | I69 T70 R71 T76 R77 | I69-A73 VanDerWaalsContact O-CB 3.24Å; I69-A73 WeakPolarHBondContact O-CB 3.33Å; I69-A73 PolarHBondContact O-N 2.91Å; T70-A73 PolarHBondContact O-N 3.49Å; R71-A73 VanDerWaalsContact C-N 3.29Å; R71-A73 PolarHBondContact O-N 3.09Å; A73-T76 WeakPolarHBondContact CA-OG1 3.4Å; A73-T76 PolarHBondContact O-OG1 3.09Å; A73-R77 VanDerWaalsContact O-CG 3.31Å; A73-R77 WeakPolarHBondContact O-CG 3.49Å; A73-R77 PolarHBondContact O-N 3.25Å; A73-R77 PolarHBondContact O-NH1 3.22Å |
| 74 | A | 97.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 72.1 Ų | 72.1 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -52.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | T70 R71 I72 T76 R77 E78 | T70-A74 PolarHBondContact O-N 3.47Å; R71-A74 WeakPolarHBondContact O-CB 3.46Å; R71-A74 PolarHBondContact O-N 2.95Å; I72-A74 VanDerWaalsContact C-N 3.3Å; I72-A74 PolarHBondContact O-N 3.29Å; A74-T76 VanDerWaalsContact C-N 3.32Å; A74-T76 PolarHBondContact O-N 3.08Å; A74-R77 WeakPolarHBondContact O-CB 3.24Å; A74-R77 PolarHBondContact O-N 3Å; A74-E78 PolarHBondContact O-N 3.2Å |
| 75 | A | 97.4 | Very high | 97 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R71 I72 R77 E78 A106 F113 | R71-A75 PolarHBondContact O-N 3.26Å; I72-A75 PolarHBondContact O-N 3.16Å; A75-R77 VanDerWaalsContact C-N 3.28Å; A75-R77 PolarHBondContact O-N 3.21Å; A75-E78 PolarHBondContact O-N 3.27Å; A75-A106 HydrophobicContact CB-CB 3.84Å; A75-F113 HydrophobicContact CB-CD1 4.13Å; A75-F113 HydrophobicContact CB-CE1 3.44Å; A75-F113 VanDerWaalsContact CB-CE1 3.44Å; A75-F113 HydrophobicContact CB-CE2 4.4Å; A75-F113 HydrophobicContact CB-CZ 3.6Å |
| 76 | T | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66 | -30.4 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 113 | I72 A73 A74 H79 N80 M81 Y83 L86 F113 | I72-T76 HydrophobicContact CG2-CG2 4.16Å; I72-T76 WeakPolarHBondContact O-CG2 3.22Å; I72-T76 PolarHBondContact O-N 3.38Å; I72-T76 PolarHBondContact O-OG1 2.84Å; A73-T76 WeakPolarHBondContact CA-OG1 3.4Å; A73-T76 PolarHBondContact O-OG1 3.09Å; A74-T76 VanDerWaalsContact C-N 3.32Å; A74-T76 PolarHBondContact O-N 3.08Å; T76-H79 CarbonylContact O-C 3.55Å; T76-H79 PolarHBondContact O-N 3.06Å; T76-N80 PolarHBondContact O-N 3.16Å; T76-M81 CarbonylContact C-O 3.14Å; T76-M81 VanDerWaalsContact CB-O 3.27Å; T76-M81 WeakPolarHBondContact CB-O 3.41Å; T76-M81 HydrophobicContact CG2-CE 4.46Å; T76-M81 PolarHBondContact O-N 3.02Å; T76-M81 PolarHBondContact OG1-O 3.1Å; T76-Y83 PolarHBondContact OG1-N 3.09Å; T76-L86 HydrophobicContact CG2-CB 3.97Å; T76-L86 HydrophobicContact CG2-CD2 3.52Å; T76-L86 HydrophobicContact CG2-CG 4.24Å; T76-F113 HydrophobicContact CG2-CZ 3.97Å |
| 77 | R | 96.2 | Very high | 96.9 | Very high | 166 Ų | 166 | 62.7 Ų | 62.7 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.2 | -37.5 | 178.7 | -74.7 | 176 | -168 | 113.9 | -7 | 111.5 | A73 A74 A75 H79 N80 | A73-R77 VanDerWaalsContact O-CG 3.31Å; A73-R77 WeakPolarHBondContact O-CG 3.49Å; A73-R77 PolarHBondContact O-N 3.25Å; A73-R77 PolarHBondContact O-NH1 3.22Å; A74-R77 WeakPolarHBondContact O-CB 3.24Å; A74-R77 PolarHBondContact O-N 3Å; A75-R77 VanDerWaalsContact C-N 3.28Å; A75-R77 PolarHBondContact O-N 3.21Å; R77-H79 PolarHBondContact O-N 2.97Å; R77-N80 PolarHBondContact O-N 2.96Å |
| 78 | E | 95.9 | Very high | 96.8 | Very high | 149 Ų | 149 | 64.3 Ų | 64.3 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.2 | -28.9 | 173.4 | -63.4 | 174.1 | -168.1 | 0 | 0 | 112 | A74 A75 | A74-E78 PolarHBondContact O-N 3.2Å; A75-E78 PolarHBondContact O-N 3.27Å |
| 79 | H | 95.1 | Very high | 96.6 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 20% | 0.199 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 17.2 | 175.2 | -58.4 | -38.7 | 0 | 0 | 0 | 113.9 | T76 R77 M81 F113 A117 R121 | T76-H79 CarbonylContact O-C 3.55Å; T76-H79 PolarHBondContact O-N 3.06Å; R77-H79 PolarHBondContact O-N 2.97Å; H79-M81 VanDerWaalsContact C-N 3.34Å; H79-M81 PolarHBondContact O-N 3.47Å; H79-F113 AromaticContact CD2-CD1 3.56Å; H79-F113 AromaticContact CD2-CE1 3.59Å; H79-F113 AromaticContact NE2-CD1 3.48Å; H79-F113 WeakPolarHBondContact NE2-CD1 3.23Å; H79-F113 AromaticContact NE2-CE1 3.97Å; H79-A117 HydrophobicContact CB-CB 4.28Å; H79-R121 PolarHBondContact O-NH2 3.15Å |
| 80 | N | 95 | Very high | 96.5 | Very high | 144 Ų | 144 | 59.7 Ų | 59.7 | 77% | 0.77 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 43.6 | -180 | -63.2 | -51.8 | 0 | 0 | 0 | 113.6 | T76 R77 R121 | T76-N80 PolarHBondContact O-N 3.16Å; R77-N80 PolarHBondContact O-N 2.96Å; N80-R121 PolarHBondContact O-NH2 3.38Å |
| 81 | M | 94.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.059 | 30% | 0.3 | C | S | . | . | trans | -136.7 | 153.8 | 176.7 | -175.5 | 167.6 | 50.7 | 0 | 0 | 111 | T76 H79 I85 L86 A117 A120 | T76-M81 CarbonylContact C-O 3.14Å; T76-M81 VanDerWaalsContact CB-O 3.27Å; T76-M81 WeakPolarHBondContact CB-O 3.41Å; T76-M81 HydrophobicContact CG2-CE 4.46Å; T76-M81 PolarHBondContact O-N 3.02Å; T76-M81 PolarHBondContact OG1-O 3.1Å; H79-M81 VanDerWaalsContact C-N 3.34Å; H79-M81 PolarHBondContact O-N 3.47Å; M81-I85 HydrophobicContact CG-CB 4.18Å; M81-I85 HydrophobicContact CG-CG2 4.15Å; M81-I85 HydrophobicContact SD-CG2 4.04Å; M81-L86 HydrophobicContact CE-CB 3.86Å; M81-L86 HydrophobicContact CE-CD1 3.46Å; M81-L86 VanDerWaalsContact CE-CD1 3.46Å; M81-L86 HydrophobicContact CE-CG 4.21Å; M81-L86 HydrophobicContact SD-CB 4.3Å; M81-A117 HydrophobicContact CE-CB 3.8Å; M81-A120 HydrophobicContact CE-CB 4.24Å; M81-A120 HydrophobicContact SD-CB 4.25Å | ||
| 82 | K | 96.4 | Very high | 96 | Very high | 153 Ų | 153 | 60 Ų | 60 | 67% | 0.665 | 30% | 0.298 | S | S | * | . | trans | -94.8 | 144 | 174.6 | -59.8 | -178 | -179.6 | 177.4 | 0 | 110.6 | P84 I85 L86 | K82-P84 VanDerWaalsContact C-CD 3.49Å; K82-I85 HydrophobicContact CB-CD1 4.07Å; K82-I85 HydrophobicContact CB-CG1 4.35Å; K82-I85 HydrophobicContact CG-CD1 4.5Å; K82-I85 WeakPolarHBondContact O-CB 3.49Å; K82-I85 PolarHBondContact O-N 3.42Å; K82-I85 VanDerWaalsContact O-N 3.08Å; K82-L86 PolarHBondContact O-N 3.19Å | ||
| 83 | Y | 96.8 | Very high | 95.7 | Very high | 37 Ų | 37 | 61.3 Ų | 61.3 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -49.2 | -46.1 | 177.9 | 163 | -93.5 | 0 | 0 | 0 | 115.4 | I69 I72 T76 I85 L86 M87 R99 | I69-Y83 HydrophobicContact CG1-CE2 4.26Å; I69-Y83 HydrophobicContact CG2-CD1 4.14Å; I69-Y83 HydrophobicContact CG2-CD2 4.45Å; I69-Y83 HydrophobicContact CG2-CE1 3.9Å; I69-Y83 HydrophobicContact CG2-CE2 4.22Å; I69-Y83 HydrophobicContact CG2-CG 4.41Å; I72-Y83 HydrophobicContact CB-CD2 4.01Å; I72-Y83 HydrophobicContact CB-CE2 4.37Å; I72-Y83 HydrophobicContact CD1-CE2 4.35Å; I72-Y83 HydrophobicContact CG2-CD2 3.67Å; I72-Y83 HydrophobicContact CG2-CE2 4.2Å; T76-Y83 PolarHBondContact OG1-N 3.09Å; Y83-I85 PolarHBondContact O-N 3.38Å; Y83-L86 PolarHBondContact O-N 3.08Å; Y83-M87 HydrophobicContact CD2-CG 3.94Å; Y83-M87 HydrophobicContact CE1-CG 4.23Å; Y83-M87 HydrophobicContact CE2-CG 3.37Å; Y83-M87 HydrophobicContact CE2-SD 3.96Å; Y83-M87 PolarHBondContact O-N 3.02Å; Y83-M87 VanDerWaalsContact O-N 3.09Å; Y83-R99 PolarHBondContact OH-NE 3.26Å; Y83-R99 PolarHBondContact OH-NH2 3.5Å |
| 84 | P | 96.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61 | -35.8 | -179.7 | -23.3 | 34.4 | 0 | 0 | 0 | 112.6 | K82 H88 | K82-P84 VanDerWaalsContact C-CD 3.49Å; P84-H88 VanDerWaalsContact O-CB 3.23Å; P84-H88 WeakPolarHBondContact O-CB 3.47Å; P84-H88 PolarHBondContact O-N 2.98Å |
| 85 | I | 96.2 | Very high | 95.1 | Very high | 52 Ų | 52 | 64.1 Ų | 64.1 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.5 | -46 | 179.5 | -59.8 | 173.6 | 0 | 0 | 0 | 109.8 | M81 K82 Y83 M87 H88 N89 Q124 | M81-I85 HydrophobicContact CG-CB 4.18Å; M81-I85 HydrophobicContact CG-CG2 4.15Å; M81-I85 HydrophobicContact SD-CG2 4.04Å; K82-I85 HydrophobicContact CB-CD1 4.07Å; K82-I85 HydrophobicContact CB-CG1 4.35Å; K82-I85 HydrophobicContact CG-CD1 4.5Å; K82-I85 WeakPolarHBondContact O-CB 3.49Å; K82-I85 PolarHBondContact O-N 3.42Å; K82-I85 VanDerWaalsContact O-N 3.08Å; Y83-I85 PolarHBondContact O-N 3.38Å; I85-M87 PolarHBondContact O-N 3.48Å; I85-H88 PolarHBondContact O-N 3.32Å; I85-N89 VanDerWaalsContact CG2-ND2 3.3Å; I85-N89 WeakPolarHBondContact CG2-ND2 3.47Å; I85-N89 WeakPolarHBondContact O-CB 3.41Å; I85-N89 PolarHBondContact O-N 3.4Å; I85-N89 VanDerWaalsContact O-N 3.08Å; I85-N89 PolarHBondContact O-ND2 2.86Å; I85-Q124 HydrophobicContact CG2-CG 4.32Å |
| 86 | L | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.6 | -55.1 | 175.5 | 178.8 | 74.3 | 0 | 0 | 0 | 110.9 | I72 T76 M81 K82 Y83 H88 N89 L90 F113 A120 | I72-L86 HydrophobicContact CG2-CD2 3.69Å; T76-L86 HydrophobicContact CG2-CB 3.97Å; T76-L86 HydrophobicContact CG2-CD2 3.52Å; T76-L86 HydrophobicContact CG2-CG 4.24Å; M81-L86 HydrophobicContact CE-CB 3.86Å; M81-L86 HydrophobicContact CE-CD1 3.46Å; M81-L86 VanDerWaalsContact CE-CD1 3.46Å; M81-L86 HydrophobicContact CE-CG 4.21Å; M81-L86 HydrophobicContact SD-CB 4.3Å; K82-L86 PolarHBondContact O-N 3.19Å; Y83-L86 PolarHBondContact O-N 3.08Å; L86-H88 VanDerWaalsContact C-N 3.34Å; L86-H88 PolarHBondContact O-N 3.37Å; L86-N89 PolarHBondContact O-N 2.91Å; L86-L90 HydrophobicContact CD1-CD1 3.95Å; L86-L90 HydrophobicContact CD1-CG 4.23Å; L86-L90 HydrophobicContact CD2-CD1 4.44Å; L86-L90 HydrophobicContact CG-CD1 3.89Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.45Å; L86-L90 WeakPolarHBondContact O-CG 3.34Å; L86-L90 PolarHBondContact O-N 3.17Å; L86-F113 HydrophobicContact CD2-CE2 4.26Å; L86-F113 HydrophobicContact CD2-CZ 4.19Å; L86-A120 HydrophobicContact CD1-CB 3.78Å |
| 87 | M | 96.7 | Very high | 94.8 | Very high | 33 Ų | 33 | 74.7 Ų | 74.7 | 16% | 0.163 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | -174.7 | -68.8 | -59.1 | -55.8 | 0 | 0 | 112.7 | Y83 I85 N91 R99 I102 | Y83-M87 HydrophobicContact CD2-CG 3.94Å; Y83-M87 HydrophobicContact CE1-CG 4.23Å; Y83-M87 HydrophobicContact CE2-CG 3.37Å; Y83-M87 HydrophobicContact CE2-SD 3.96Å; Y83-M87 PolarHBondContact O-N 3.02Å; Y83-M87 VanDerWaalsContact O-N 3.09Å; I85-M87 PolarHBondContact O-N 3.48Å; M87-N91 WeakPolarHBondContact O-CB 3.26Å; M87-N91 PolarHBondContact O-N 3.43Å; M87-R99 HydrophobicContact CE-CG 4.16Å; M87-I102 HydrophobicContact CE-CD1 4.25Å; M87-I102 HydrophobicContact SD-CD1 3.88Å |
| 88 | H | 95.3 | Very high | 94.7 | Very high | 101 Ų | 101 | 72.5 Ų | 72.5 | 47% | 0.468 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 177.5 | -177.8 | 62.7 | 0 | 0 | 0 | 111.7 | P84 I85 L86 N91 K92 | P84-H88 VanDerWaalsContact O-CB 3.23Å; P84-H88 WeakPolarHBondContact O-CB 3.47Å; P84-H88 PolarHBondContact O-N 2.98Å; I85-H88 PolarHBondContact O-N 3.32Å; L86-H88 VanDerWaalsContact C-N 3.34Å; L86-H88 PolarHBondContact O-N 3.37Å; H88-N91 PolarHBondContact O-N 3.12Å; H88-K92 VanDerWaalsContact CE1-CE 3.49Å; H88-K92 WeakPolarHBondContact CE1-CE 3.49Å; H88-K92 WeakPolarHBondContact NE2-CE 3.22Å; H88-K92 PolarHBondContact NE2-NZ 3.39Å; H88-K92 WeakPolarHBondContact O-CG 3.2Å; H88-K92 PolarHBondContact O-N 3.4Å; H88-K92 VanDerWaalsContact O-N 3.08Å |
| 89 | N | 95.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.032 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.7 | -35.9 | -176.6 | -68.2 | -42.3 | 0 | 0 | 0 | 112.5 | I85 L86 N91 K92 C93 A120 R123 Q124 | I85-N89 VanDerWaalsContact CG2-ND2 3.3Å; I85-N89 WeakPolarHBondContact CG2-ND2 3.47Å; I85-N89 WeakPolarHBondContact O-CB 3.41Å; I85-N89 PolarHBondContact O-N 3.4Å; I85-N89 VanDerWaalsContact O-N 3.08Å; I85-N89 PolarHBondContact O-ND2 2.86Å; L86-N89 PolarHBondContact O-N 2.91Å; N89-N91 VanDerWaalsContact C-N 3.31Å; N89-N91 PolarHBondContact O-N 2.93Å; N89-K92 PolarHBondContact O-N 3.2Å; N89-C93 PolarHBondContact O-N 3.14Å; N89-C93 PolarHBondContact O-SG 2.79Å; N89-A120 HydrophobicContact CB-CB 3.91Å; N89-A120 WeakPolarHBondContact CB-O 3.46Å; N89-A120 PolarHBondContact ND2-O 3.14Å; N89-R123 HydrophobicContact CB-CB 4.28Å; N89-R123 HydrophobicContact CB-CG 4.33Å; N89-Q124 WeakPolarHBondContact ND2-CB 3.4Å |
| 90 | L | 95 | Very high | 94.9 | Very high | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 172.8 | -71.4 | 178.6 | 0 | 0 | 0 | 111.8 | L86 K92 C93 S94 V95 I102 L116 L119 | L86-L90 HydrophobicContact CD1-CD1 3.95Å; L86-L90 HydrophobicContact CD1-CG 4.23Å; L86-L90 HydrophobicContact CD2-CD1 4.44Å; L86-L90 HydrophobicContact CG-CD1 3.89Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.45Å; L86-L90 WeakPolarHBondContact O-CG 3.34Å; L86-L90 PolarHBondContact O-N 3.17Å; L90-K92 VanDerWaalsContact C-N 3.34Å; L90-K92 PolarHBondContact O-N 3.5Å; L90-C93 PolarHBondContact O-N 3.31Å; L90-S94 PolarHBondContact O-N 3.37Å; L90-V95 HydrophobicContact CB-CB 4.44Å; L90-V95 HydrophobicContact CD2-CB 4.38Å; L90-V95 HydrophobicContact CD2-CG1 4.4Å; L90-V95 PolarHBondContact O-N 3.25Å; L90-I102 HydrophobicContact CD1-CD1 4.32Å; L90-L116 HydrophobicContact CD2-CD2 4.15Å; L90-L119 HydrophobicContact CD2-CD2 4.47Å |
| 91 | N | 93.8 | Very high | 95 | Very high | 119 Ų | 119 | 71.3 Ų | 71.3 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.6 | -38.9 | 175.4 | -167.4 | 41.8 | 0 | 0 | 0 | 112 | M87 H88 N89 C93 S94 | M87-N91 WeakPolarHBondContact O-CB 3.26Å; M87-N91 PolarHBondContact O-N 3.43Å; H88-N91 PolarHBondContact O-N 3.12Å; N89-N91 VanDerWaalsContact C-N 3.31Å; N89-N91 PolarHBondContact O-N 2.93Å; N91-C93 VanDerWaalsContact C-N 3.26Å; N91-C93 PolarHBondContact O-N 2.92Å; N91-S94 PolarHBondContact O-N 3.27Å; N91-S94 VanDerWaalsContact O-N 3.1Å |
| 92 | K | 92.1 | Very high | 95.2 | Very high | 83 Ų | 83 | 70.9 Ų | 70.9 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -25.6 | 175.1 | -75.7 | -176.9 | 169.4 | -176.5 | 0 | 114 | H88 N89 L90 S94 R123 | H88-K92 VanDerWaalsContact CE1-CE 3.49Å; H88-K92 WeakPolarHBondContact CE1-CE 3.49Å; H88-K92 WeakPolarHBondContact NE2-CE 3.22Å; H88-K92 PolarHBondContact NE2-NZ 3.39Å; H88-K92 WeakPolarHBondContact O-CG 3.2Å; H88-K92 PolarHBondContact O-N 3.4Å; H88-K92 VanDerWaalsContact O-N 3.08Å; N89-K92 PolarHBondContact O-N 3.2Å; L90-K92 VanDerWaalsContact C-N 3.34Å; L90-K92 PolarHBondContact O-N 3.5Å; K92-S94 VanDerWaalsContact C-N 3.27Å; K92-R123 HydrophobicContact CB-CG 4.24Å |
| 93 | C | 92.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 63.7 Ų | 63.7 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 11.6 | 174.2 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | N89 L90 N91 V95 R123 | N89-C93 PolarHBondContact O-N 3.14Å; N89-C93 PolarHBondContact O-SG 2.79Å; L90-C93 PolarHBondContact O-N 3.31Å; N91-C93 VanDerWaalsContact C-N 3.26Å; N91-C93 PolarHBondContact O-N 2.92Å; C93-V95 HydrophobicContact CB-CG2 4.07Å; C93-V95 PolarHBondContact O-N 2.85Å; C93-V95 VanDerWaalsContact O-N 3.12Å; C93-R123 VanDerWaalsContact SG-CG 3.55Å |
| 94 | S | 90.5 | Very high | 95.3 | Very high | 76 Ų | 76 | 66.4 Ų | 66.4 | 53% | 0.531 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 22.9 | -176.2 | -56.5 | 0 | 0 | 0 | 0 | 114.4 | L90 N91 K92 Q96 | L90-S94 PolarHBondContact O-N 3.37Å; N91-S94 PolarHBondContact O-N 3.27Å; N91-S94 VanDerWaalsContact O-N 3.1Å; K92-S94 VanDerWaalsContact C-N 3.27Å; S94-Q96 PolarHBondContact O-N 3.39Å |
| 95 | V | 92.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 26% | 0.255 | 32% | 0.317 | S | S | . | . | trans | -84.6 | 93.4 | 176.8 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | L90 C93 L97 L119 | L90-V95 HydrophobicContact CB-CB 4.44Å; L90-V95 HydrophobicContact CD2-CB 4.38Å; L90-V95 HydrophobicContact CD2-CG1 4.4Å; L90-V95 PolarHBondContact O-N 3.25Å; C93-V95 HydrophobicContact CB-CG2 4.07Å; C93-V95 PolarHBondContact O-N 2.85Å; C93-V95 VanDerWaalsContact O-N 3.12Å; V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 HydrophobicContact CG1-CB 4.39Å; V95-L97 HydrophobicContact CG1-CD1 3.69Å; V95-L97 HydrophobicContact CG1-CG 3.71Å; V95-L97 PolarHBondContact O-N 2.99Å; V95-L119 HydrophobicContact CG2-CD2 4.3Å | ||
| 96 | Q | 92.1 | Very high | 95.4 | Very high | 172 Ų | 172 | 62 Ų | 62 | 80% | 0.804 | 31% | 0.314 | S | S | * | . | trans | -82.1 | 60.6 | -176.2 | -62.6 | -173.4 | -4.7 | 0 | 0 | 112.9 | S94 | S94-Q96 PolarHBondContact O-N 3.39Š| ||
| 97 | L | 94.6 | Very high | 95.4 | Very high | 60 Ų | 60 | 67 Ų | 67 | 31% | 0.314 | 34% | 0.339 | S | S | . | . | trans | -92.1 | 132.8 | 177.4 | -70.2 | 176 | 0 | 0 | 0 | 112.7 | V95 V101 I102 L116 | V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 HydrophobicContact CG1-CB 4.39Å; V95-L97 HydrophobicContact CG1-CD1 3.69Å; V95-L97 HydrophobicContact CG1-CG 3.71Å; V95-L97 PolarHBondContact O-N 2.99Å; L97-V101 HydrophobicContact CD2-CG1 4.33Å; L97-I102 HydrophobicContact CB-CD1 3.91Å; L97-I102 HydrophobicContact CB-CG1 3.76Å; L97-I102 HydrophobicContact CD1-CG1 4.45Å; L97-L116 HydrophobicContact CD1-CD1 4.12Å; L97-L116 HydrophobicContact CD1-CD2 4.33Å | ||
| 98 | N | 95.8 | Very high | 95.5 | Very high | 120 Ų | 120 | 69.5 Ų | 69.5 | 64% | 0.642 | 36% | 0.357 | S | S | * | . | trans | -73.9 | 146.7 | 174.4 | -77.7 | -38.4 | 0 | 0 | 0 | 111.7 | R100 V101 I102 | N98-R100 PolarHBondContact O-N 3.49Å; N98-R100 VanDerWaalsContact O-N 3.16Å; N98-V101 HydrophobicContact CB-CG2 4.46Å; N98-V101 PolarHBondContact O-N 3.17Å; N98-I102 WeakPolarHBondContact O-CG1 3.49Å; N98-I102 PolarHBondContact O-N 3.45Å | ||
| 99 | R | 96.9 | Very high | 95.6 | Very high | 76 Ų | 76 | 69.3 Ų | 69.3 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.2 | -31.7 | 178.2 | -67.6 | 169.2 | 178.4 | 84 | 4.9 | 113.7 | W68 I72 Y83 M87 S103 | W68-R99 HydrophobicContact CB-CB 4.21Å; W68-R99 HydrophobicContact CE3-CB 4.34Å; I72-R99 HydrophobicContact CD1-CB 4.12Å; I72-R99 HydrophobicContact CD1-CG 4.36Å; Y83-R99 PolarHBondContact OH-NE 3.26Å; Y83-R99 PolarHBondContact OH-NH2 3.5Å; M87-R99 HydrophobicContact CE-CG 4.16Å; R99-S103 VanDerWaalsContact O-CB 3.22Å; R99-S103 WeakPolarHBondContact O-CB 3.29Å; R99-S103 PolarHBondContact O-N 2.93Å |
| 100 | R | 97.7 | Very high | 95.6 | Very high | 171 Ų | 171 | 73 Ų | 73 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.1 | -49.2 | 173.1 | -179.9 | -175.6 | 169.1 | -161.3 | -3.8 | 110.9 | W68 N98 S103 D104 | W68-R100 HydrophobicContact CD2-CB 4.02Å; W68-R100 HydrophobicContact CE3-CB 4.07Å; W68-R100 HydrophobicContact CH2-CB 3.78Å; W68-R100 HydrophobicContact CH2-CG 4.13Å; W68-R100 HydrophobicContact CZ2-CB 3.7Å; W68-R100 HydrophobicContact CZ2-CG 3.65Å; W68-R100 HydrophobicContact CZ3-CB 3.96Å; N98-R100 PolarHBondContact O-N 3.49Å; N98-R100 VanDerWaalsContact O-N 3.16Å; R100-S103 PolarHBondContact O-N 3.49Å; R100-D104 PolarHBondContact O-N 3.18Å; R100-D104 VanDerWaalsContact O-N 3.1Å |
| 101 | V | 97.9 | Very high | 95.7 | Very high | 64 Ų | 64 | 83.1 Ų | 83.1 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.2 | -45.5 | -177.3 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | L97 N98 S103 D104 I105 | L97-V101 HydrophobicContact CD2-CG1 4.33Å; N98-V101 HydrophobicContact CB-CG2 4.46Å; N98-V101 PolarHBondContact O-N 3.17Å; V101-S103 VanDerWaalsContact C-N 3.29Å; V101-S103 PolarHBondContact O-N 3.12Å; V101-D104 WeakPolarHBondContact O-CB 3.38Å; V101-D104 PolarHBondContact O-N 3.43Å; V101-I105 HydrophobicContact CG1-CD1 3.73Å; V101-I105 HydrophobicContact CG1-CG1 4.27Å; V101-I105 WeakPolarHBondContact O-CG1 3.3Å; V101-I105 PolarHBondContact O-N 3.3Å |
| 102 | I | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 176.8 | -59.4 | 168.1 | 0 | 0 | 0 | 110.9 | I72 M87 L90 L97 N98 D104 A106 F113 | I72-I102 HydrophobicContact CD1-CB 3.9Å; I72-I102 HydrophobicContact CD1-CG2 3.82Å; I72-I102 HydrophobicContact CG1-CB 4.35Å; I72-I102 HydrophobicContact CG1-CG2 3.88Å; I72-I102 HydrophobicContact CG2-CG2 4.13Å; M87-I102 HydrophobicContact CE-CD1 4.25Å; M87-I102 HydrophobicContact SD-CD1 3.88Å; L90-I102 HydrophobicContact CD1-CD1 4.32Å; L97-I102 HydrophobicContact CB-CD1 3.91Å; L97-I102 HydrophobicContact CB-CG1 3.76Å; L97-I102 HydrophobicContact CD1-CG1 4.45Å; N98-I102 WeakPolarHBondContact O-CG1 3.49Å; N98-I102 PolarHBondContact O-N 3.45Å; I102-D104 VanDerWaalsContact C-N 3.26Å; I102-D104 PolarHBondContact O-N 3.22Å; I102-A106 WeakPolarHBondContact O-CB 3.45Å; I102-A106 PolarHBondContact O-N 3.1Å; I102-F113 HydrophobicContact CG2-CD2 4.37Å; I102-F113 HydrophobicContact CG2-CE2 3.83Å |
| 103 | S | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.014 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.8 | -28 | 175.6 | 176.4 | 0 | 0 | 0 | 0 | 113.2 | R71 R99 R100 V101 I107 | R71-S103 WeakPolarHBondContact CB-OG 3.3Å; R71-S103 WeakPolarHBondContact CD-OG 3.24Å; R99-S103 VanDerWaalsContact O-CB 3.22Å; R99-S103 WeakPolarHBondContact O-CB 3.29Å; R99-S103 PolarHBondContact O-N 2.93Å; R100-S103 PolarHBondContact O-N 3.49Å; V101-S103 VanDerWaalsContact C-N 3.29Å; V101-S103 PolarHBondContact O-N 3.12Å; S103-I107 WeakPolarHBondContact O-CD1 3.43Å; S103-I107 WeakPolarHBondContact O-CG1 3.49Å |
| 104 | D | 98.1 | Very high | 96.4 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -77.9 | -49.2 | 179.4 | -161.2 | 46.5 | 0 | 0 | 0 | 110 | R100 V101 I102 A106 I107 T108 | R100-D104 PolarHBondContact O-N 3.18Å; R100-D104 VanDerWaalsContact O-N 3.1Å; V101-D104 WeakPolarHBondContact O-CB 3.38Å; V101-D104 PolarHBondContact O-N 3.43Å; I102-D104 VanDerWaalsContact C-N 3.26Å; I102-D104 PolarHBondContact O-N 3.22Å; D104-A106 PolarHBondContact O-N 3.1Å; D104-I107 WeakPolarHBondContact O-CA 3.46Å; D104-I107 WeakPolarHBondContact O-CB 3.37Å; D104-I107 PolarHBondContact O-N 2.84Å; D104-T108 PolarHBondContact O-N 3.33Å; D104-T108 PolarHBondContact O-OG1 2.79Å |
| 105 | I | 97.7 | Very high | 96.7 | Very high | 25 Ų | 25 | 77.9 Ų | 77.9 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -54.5 | -41 | 173.2 | -64.2 | 169.2 | 0 | 0 | 0 | 110.8 | V101 I107 E109 T112 F113 | V101-I105 HydrophobicContact CG1-CD1 3.73Å; V101-I105 HydrophobicContact CG1-CG1 4.27Å; V101-I105 WeakPolarHBondContact O-CG1 3.3Å; V101-I105 PolarHBondContact O-N 3.3Å; I105-I107 PolarHBondContact O-N 3.32Å; I105-E109 HydrophobicContact CG2-CB 4.17Å; I105-E109 CarbonylContact O-C 3.15Å; I105-E109 WeakPolarHBondContact O-CA 3.19Å; I105-E109 PolarHBondContact O-N 2.93Å; I105-E109 VanDerWaalsContact O-O 3.05Å; I105-T112 HydrophobicContact CG2-CG2 3.82Å; I105-F113 HydrophobicContact CG2-CB 4.14Å |
| 106 | A | 96.9 | Very high | 96.8 | Very high | 24 Ų | 24 | 77 Ų | 77 | 20% | 0.198 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.4 | -25.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A75 I102 D104 F113 | A75-A106 HydrophobicContact CB-CB 3.84Å; I102-A106 WeakPolarHBondContact O-CB 3.45Å; I102-A106 PolarHBondContact O-N 3.1Å; D104-A106 PolarHBondContact O-N 3.1Å; A106-F113 HydrophobicContact CB-CD2 3.79Å; A106-F113 HydrophobicContact CB-CE2 3.94Å; A106-F113 HydrophobicContact CB-CG 4.17Å; A106-F113 HydrophobicContact CB-CZ 4.44Å |
| 107 | I | 97 | Very high | 97.1 | Very high | 105 Ų | 105 | 68.9 Ų | 68.9 | 54% | 0.538 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -94.9 | -47.2 | 179.9 | -63.4 | 166.9 | 0 | 0 | 0 | 110.7 | S103 D104 I105 | S103-I107 WeakPolarHBondContact O-CD1 3.43Å; S103-I107 WeakPolarHBondContact O-CG1 3.49Å; D104-I107 WeakPolarHBondContact O-CA 3.46Å; D104-I107 WeakPolarHBondContact O-CB 3.37Å; D104-I107 PolarHBondContact O-N 2.84Å; I105-I107 PolarHBondContact O-N 3.32Å |
| 108 | T | 97.9 | Very high | 97.1 | Very high | 86 Ų | 86 | 72 Ų | 72 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -87.7 | -34.9 | -171.1 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | D104 | D104-T108 PolarHBondContact O-N 3.33Å; D104-T108 PolarHBondContact O-OG1 2.79Å |
| 109 | E | 97.4 | Very high | 97.1 | Very high | 97 Ų | 97 | 68.9 Ų | 68.9 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | trans | -132.1 | 77.7 | -170.1 | -68.5 | -172.5 | -171.6 | 0 | 0 | 112.4 | I105 R111 T112 F113 | I105-E109 HydrophobicContact CG2-CB 4.17Å; I105-E109 CarbonylContact O-C 3.15Å; I105-E109 WeakPolarHBondContact O-CA 3.19Å; I105-E109 PolarHBondContact O-N 2.93Å; I105-E109 VanDerWaalsContact O-O 3.05Å; E109-R111 PolarHBondContact O-N 3.31Å; E109-T112 PolarHBondContact O-N 3.31Å; E109-T112 WeakPolarHBondContact OE2-CB 3.18Å; E109-T112 PolarHBondContact OE2-OG1 3.21Å; E109-F113 PolarHBondContact O-N 2.75Å; E109-F113 VanDerWaalsContact O-N 3.09Å | ||
| 110 | P | 95.8 | Very high | 97.1 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63 | -30.8 | -177 | 24.3 | -34.1 | 0 | 0 | 0 | 112.9 | F113 L114 | P110-F113 PolarHBondContact O-N 3.03Å; P110-L114 WeakPolarHBondContact O-CB 3.28Å; P110-L114 PolarHBondContact O-N 3.04Å |
| 111 | R | 97.2 | Very high | 97 | Very high | 215 Ų | 215 | 61.3 Ų | 61.3 | 81% | 0.811 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.4 | -44.9 | 177.9 | -66.1 | -180 | 179.9 | -109.6 | 0.7 | 111.8 | E109 F113 L114 S115 | E109-R111 PolarHBondContact O-N 3.31Å; R111-F113 VanDerWaalsContact C-N 3.35Å; R111-L114 WeakPolarHBondContact O-CB 3.39Å; R111-L114 PolarHBondContact O-N 3.44Å; R111-S115 PolarHBondContact O-N 3.18Å; R111-S115 VanDerWaalsContact O-N 3.07Å; R111-S115 PolarHBondContact O-OG 3.41Å |
| 112 | T | 97.3 | Very high | 96.9 | Very high | 55 Ų | 55 | 60 Ų | 60 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.7 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | I105 E109 L114 S115 L116 | I105-T112 HydrophobicContact CG2-CG2 3.82Å; E109-T112 PolarHBondContact O-N 3.31Å; E109-T112 WeakPolarHBondContact OE2-CB 3.18Å; E109-T112 PolarHBondContact OE2-OG1 3.21Å; T112-L114 PolarHBondContact O-N 3.44Å; T112-S115 WeakPolarHBondContact O-CB 3.44Å; T112-S115 PolarHBondContact O-N 3.44Å; T112-L116 PolarHBondContact O-N 2.91Å |
| 113 | F | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 176 | -169.3 | -100.9 | 0 | 0 | 0 | 112.6 | I72 A75 T76 H79 L86 I102 I105 A106 E109 P110 R111 S115 L116 A117 | I72-F113 HydrophobicContact CG2-CZ 4.47Å; A75-F113 HydrophobicContact CB-CD1 4.13Å; A75-F113 HydrophobicContact CB-CE1 3.44Å; A75-F113 VanDerWaalsContact CB-CE1 3.44Å; A75-F113 HydrophobicContact CB-CE2 4.4Å; A75-F113 HydrophobicContact CB-CZ 3.6Å; T76-F113 HydrophobicContact CG2-CZ 3.97Å; H79-F113 AromaticContact CD2-CD1 3.56Å; H79-F113 AromaticContact CD2-CE1 3.59Å; H79-F113 AromaticContact NE2-CD1 3.48Å; H79-F113 WeakPolarHBondContact NE2-CD1 3.23Å; H79-F113 AromaticContact NE2-CE1 3.97Å; L86-F113 HydrophobicContact CD2-CE2 4.26Å; L86-F113 HydrophobicContact CD2-CZ 4.19Å; I102-F113 HydrophobicContact CG2-CD2 4.37Å; I102-F113 HydrophobicContact CG2-CE2 3.83Å; I105-F113 HydrophobicContact CG2-CB 4.14Å; A106-F113 HydrophobicContact CB-CD2 3.79Å; A106-F113 HydrophobicContact CB-CE2 3.94Å; A106-F113 HydrophobicContact CB-CG 4.17Å; A106-F113 HydrophobicContact CB-CZ 4.44Å; E109-F113 PolarHBondContact O-N 2.75Å; E109-F113 VanDerWaalsContact O-N 3.09Å; P110-F113 PolarHBondContact O-N 3.03Å; R111-F113 VanDerWaalsContact C-N 3.35Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-S115 PolarHBondContact O-N 2.92Å; F113-L116 PolarHBondContact O-N 3.36Å; F113-A117 WeakPolarHBondContact O-CB 3.27Å; F113-A117 PolarHBondContact O-N 2.99Å |
| 114 | L | 97.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 174.4 | 177.2 | 64.4 | 0 | 0 | 0 | 111.8 | P110 R111 T112 A117 K118 | P110-L114 WeakPolarHBondContact O-CB 3.28Å; P110-L114 PolarHBondContact O-N 3.04Å; R111-L114 WeakPolarHBondContact O-CB 3.39Å; R111-L114 PolarHBondContact O-N 3.44Å; T112-L114 PolarHBondContact O-N 3.44Å; L114-A117 PolarHBondContact O-N 3.4Å; L114-K118 HydrophobicContact CD1-CG 4.4Å; L114-K118 HydrophobicContact CG-CD 4.32Å; L114-K118 WeakPolarHBondContact O-CG 3.44Å; L114-K118 PolarHBondContact O-N 3.42Å |
| 115 | S | 97.1 | Very high | 96.4 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 53% | 0.531 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 176.2 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | R111 T112 F113 A117 K118 L119 | R111-S115 PolarHBondContact O-N 3.18Å; R111-S115 VanDerWaalsContact O-N 3.07Å; R111-S115 PolarHBondContact O-OG 3.41Å; T112-S115 WeakPolarHBondContact O-CB 3.44Å; T112-S115 PolarHBondContact O-N 3.44Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-S115 PolarHBondContact O-N 2.92Å; S115-A117 VanDerWaalsContact C-N 3.34Å; S115-A117 PolarHBondContact O-N 3.28Å; S115-K118 PolarHBondContact O-N 3.14Å; S115-L119 WeakPolarHBondContact O-CB 3.25Å; S115-L119 PolarHBondContact O-N 3.09Å |
| 116 | L | 96.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 174.1 | -69 | 173.4 | 0 | 0 | 0 | 112 | L90 L97 T112 F113 L119 A120 | L90-L116 HydrophobicContact CD2-CD2 4.15Å; L97-L116 HydrophobicContact CD1-CD1 4.12Å; L97-L116 HydrophobicContact CD1-CD2 4.33Å; T112-L116 PolarHBondContact O-N 2.91Å; F113-L116 PolarHBondContact O-N 3.36Å; L116-L119 PolarHBondContact O-N 2.8Å; L116-A120 WeakPolarHBondContact O-CB 3.49Å; L116-A120 PolarHBondContact O-N 3.29Å |
| 117 | A | 96.6 | Very high | 96 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H79 M81 F113 L114 S115 A120 R121 | H79-A117 HydrophobicContact CB-CB 4.28Å; M81-A117 HydrophobicContact CE-CB 3.8Å; F113-A117 WeakPolarHBondContact O-CB 3.27Å; F113-A117 PolarHBondContact O-N 2.99Å; L114-A117 PolarHBondContact O-N 3.4Å; S115-A117 VanDerWaalsContact C-N 3.34Å; S115-A117 PolarHBondContact O-N 3.28Å; A117-A120 PolarHBondContact O-N 3.42Å; A117-R121 WeakPolarHBondContact O-CB 3.31Å; A117-R121 PolarHBondContact O-N 2.9Å |
| 118 | K | 96.4 | Very high | 95.8 | Very high | 125 Ų | 125 | 64.7 Ų | 64.7 | 54% | 0.543 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 174.3 | -75.2 | 176.6 | 177.3 | -179.6 | 0 | 111.5 | L114 S115 A120 R121 A122 | L114-K118 HydrophobicContact CD1-CG 4.4Å; L114-K118 HydrophobicContact CG-CD 4.32Å; L114-K118 WeakPolarHBondContact O-CG 3.44Å; L114-K118 PolarHBondContact O-N 3.42Å; S115-K118 PolarHBondContact O-N 3.14Å; K118-A120 VanDerWaalsContact C-N 3.35Å; K118-A120 PolarHBondContact O-N 3.25Å; K118-R121 PolarHBondContact O-N 3.33Å; K118-A122 PolarHBondContact O-N 2.89Å |
| 119 | L | 95.5 | Very high | 95.5 | Very high | 55 Ų | 55 | 68.3 Ų | 68.3 | 29% | 0.288 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57 | -48.4 | 175.7 | 179.5 | 70.8 | 0 | 0 | 0 | 111.2 | L90 V95 S115 L116 R121 A122 R123 L142 | L90-L119 HydrophobicContact CD2-CD2 4.47Å; V95-L119 HydrophobicContact CG2-CD2 4.3Å; S115-L119 WeakPolarHBondContact O-CB 3.25Å; S115-L119 PolarHBondContact O-N 3.09Å; L116-L119 PolarHBondContact O-N 2.8Å; L119-R121 VanDerWaalsContact C-N 3.33Å; L119-R121 PolarHBondContact O-N 3.43Å; L119-A122 PolarHBondContact O-N 3.29Å; L119-R123 PolarHBondContact O-N 3.13Å; L119-L142 HydrophobicContact CD1-CD1 3.93Å; L119-L142 HydrophobicContact CD1-CD2 3.8Å; L119-L142 HydrophobicContact CD1-CG 4.49Å |
| 120 | A | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M81 L86 N89 L116 A117 K118 Q124 | M81-A120 HydrophobicContact CE-CB 4.24Å; M81-A120 HydrophobicContact SD-CB 4.25Å; L86-A120 HydrophobicContact CD1-CB 3.78Å; N89-A120 HydrophobicContact CB-CB 3.91Å; N89-A120 WeakPolarHBondContact CB-O 3.46Å; N89-A120 PolarHBondContact ND2-O 3.14Å; L116-A120 WeakPolarHBondContact O-CB 3.49Å; L116-A120 PolarHBondContact O-N 3.29Å; A117-A120 PolarHBondContact O-N 3.42Å; K118-A120 VanDerWaalsContact C-N 3.35Å; K118-A120 PolarHBondContact O-N 3.25Å; A120-Q124 WeakPolarHBondContact O-CB 3.36Å; A120-Q124 PolarHBondContact O-N 2.9Å |
| 121 | R | 95.6 | Very high | 95 | Very high | 88 Ų | 88 | 67.1 Ų | 67.1 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.4 | 180 | 176.9 | -73.8 | 143.8 | 0.2 | 112.1 | H79 N80 A117 K118 L119 R123 Q124 Q125 | H79-R121 PolarHBondContact O-NH2 3.15Å; N80-R121 PolarHBondContact O-NH2 3.38Å; A117-R121 WeakPolarHBondContact O-CB 3.31Å; A117-R121 PolarHBondContact O-N 2.9Å; K118-R121 PolarHBondContact O-N 3.33Å; L119-R121 VanDerWaalsContact C-N 3.33Å; L119-R121 PolarHBondContact O-N 3.43Å; R121-R123 PolarHBondContact O-N 3.16Å; R121-Q124 VanDerWaalsContact O-CB 3.31Å; R121-Q124 WeakPolarHBondContact O-CB 3.39Å; R121-Q124 PolarHBondContact O-N 3.11Å; R121-Q125 WeakPolarHBondContact O-CG 3.46Å; R121-Q125 PolarHBondContact O-N 3.02Å |
| 122 | A | 95.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | K118 L119 Q124 Q125 E126 L142 | K118-A122 PolarHBondContact O-N 2.89Å; L119-A122 PolarHBondContact O-N 3.29Å; A122-Q124 VanDerWaalsContact C-N 3.28Å; A122-Q124 PolarHBondContact O-N 3.49Å; A122-Q125 PolarHBondContact O-N 3.19Å; A122-E126 PolarHBondContact O-N 3.29Å; A122-L142 HydrophobicContact CB-CD1 3.62Å |
| 123 | R | 95.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 62.8 Ų | 62.8 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 175.9 | -177.7 | 63.4 | -174.1 | 94.6 | -10.4 | 113.1 | N89 K92 C93 L119 R121 G127 | N89-R123 HydrophobicContact CB-CB 4.28Å; N89-R123 HydrophobicContact CB-CG 4.33Å; K92-R123 HydrophobicContact CB-CG 4.24Å; C93-R123 VanDerWaalsContact SG-CG 3.55Å; L119-R123 PolarHBondContact O-N 3.13Å; R121-R123 PolarHBondContact O-N 3.16Å; R123-G127 PolarHBondContact O-N 2.94Å |
| 124 | Q | 94.6 | Very high | 93.9 | Very high | 45 Ų | 45 | 69.5 Ų | 69.5 | 21% | 0.21 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 175 | -167.4 | -169.3 | -16.5 | 0 | 0 | 111.3 | I85 N89 A120 R121 A122 G127 F128 | I85-Q124 HydrophobicContact CG2-CG 4.32Å; N89-Q124 WeakPolarHBondContact ND2-CB 3.4Å; A120-Q124 WeakPolarHBondContact O-CB 3.36Å; A120-Q124 PolarHBondContact O-N 2.9Å; R121-Q124 VanDerWaalsContact O-CB 3.31Å; R121-Q124 WeakPolarHBondContact O-CB 3.39Å; R121-Q124 PolarHBondContact O-N 3.11Å; A122-Q124 VanDerWaalsContact C-N 3.28Å; A122-Q124 PolarHBondContact O-N 3.49Å; Q124-G127 PolarHBondContact O-N 3.25Å; Q124-G127 VanDerWaalsContact O-N 3.15Å; Q124-F128 HydrophobicContact CG-CD2 4.14Å; Q124-F128 HydrophobicContact CG-CE2 3.55Å; Q124-F128 HydrophobicContact CG-CZ 3.84Å; Q124-F128 WeakPolarHBondContact O-CD2 3.33Å; Q124-F128 WeakPolarHBondContact O-CG 3.38Å; Q124-F128 PolarHBondContact O-N 2.86Å |
| 125 | Q | 94 | Very high | 93.1 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 179.4 | -70.7 | 173.9 | -12.5 | 0 | 0 | 111.7 | R121 A122 G127 F128 R129 | R121-Q125 WeakPolarHBondContact O-CG 3.46Å; R121-Q125 PolarHBondContact O-N 3.02Å; A122-Q125 PolarHBondContact O-N 3.19Å; Q125-G127 VanDerWaalsContact C-N 3.27Å; Q125-G127 PolarHBondContact O-N 2.9Å; Q125-F128 PolarHBondContact O-N 3.46Å; Q125-R129 WeakPolarHBondContact O-CG 3.29Å; Q125-R129 PolarHBondContact O-N 3.38Å |
| 126 | E | 93.3 | Very high | 92.5 | Very high | 34 Ų | 34 | 75 Ų | 75 | 16% | 0.159 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58 | -41.1 | 171.8 | -70.7 | -176.4 | 174.2 | 0 | 0 | 111.7 | A122 R129 A130 V141 L142 S143 | A122-E126 PolarHBondContact O-N 3.29Å; E126-R129 PolarHBondContact O-N 3.08Å; E126-A130 WeakPolarHBondContact O-CB 3.45Å; E126-A130 PolarHBondContact O-N 3.04Å; E126-V141 PolarHBondContact OE1-N 3.16Å; E126-L142 PolarHBondContact OE1-N 3.5Å; E126-L142 VanDerWaalsContact OE1-N 3.13Å; E126-L142 WeakPolarHBondContact OE2-CB 3.46Å; E126-L142 PolarHBondContact OE2-N 3.22Å; E126-S143 PolarHBondContact OE2-N 3.37Å |
| 127 | G | 91.9 | Very high | 92 | Very high | 22 Ų | 22 | 80.3 Ų | 80.3 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R123 Q124 Q125 A131 | R123-G127 PolarHBondContact O-N 2.94Å; Q124-G127 PolarHBondContact O-N 3.25Å; Q124-G127 VanDerWaalsContact O-N 3.15Å; Q125-G127 VanDerWaalsContact C-N 3.27Å; Q125-G127 PolarHBondContact O-N 2.9Å; G127-A131 WeakPolarHBondContact O-CB 3.25Å; G127-A131 PolarHBondContact O-N 3.3Å; G127-A131 VanDerWaalsContact O-N 3.16Å |
| 128 | F | 93.1 | Very high | 91.5 | Very high | 122 Ų | 122 | 85.7 Ų | 85.7 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.6 | -43 | 175.3 | -66.4 | -40.8 | 0 | 0 | 0 | 112.5 | Q124 Q125 A130 A131 L132 | Q124-F128 HydrophobicContact CG-CD2 4.14Å; Q124-F128 HydrophobicContact CG-CE2 3.55Å; Q124-F128 HydrophobicContact CG-CZ 3.84Å; Q124-F128 WeakPolarHBondContact O-CD2 3.33Å; Q124-F128 WeakPolarHBondContact O-CG 3.38Å; Q124-F128 PolarHBondContact O-N 2.86Å; Q125-F128 PolarHBondContact O-N 3.46Å; F128-A130 PolarHBondContact O-N 3.43Å; F128-A131 PolarHBondContact O-N 2.89Å; F128-L132 WeakPolarHBondContact O-CG 3.33Å; F128-L132 PolarHBondContact O-N 3.32Å |
| 129 | R | 91.4 | Very high | 90.9 | Very high | 163 Ų | 163 | 83.1 Ų | 83.1 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59 | -48.6 | 175.9 | -72.7 | 178.8 | 179.5 | 149.1 | -1 | 111.3 | Q125 E126 A131 L132 G133 | Q125-R129 WeakPolarHBondContact O-CG 3.29Å; Q125-R129 PolarHBondContact O-N 3.38Å; E126-R129 PolarHBondContact O-N 3.08Å; R129-A131 PolarHBondContact O-N 3.26Å; R129-L132 PolarHBondContact O-N 3.26Å; R129-L132 VanDerWaalsContact O-N 3.14Å; R129-G133 PolarHBondContact O-N 2.91Å; R129-G133 VanDerWaalsContact O-N 3.07Å |
| 130 | A | 90.7 | Very high | 90.4 | Very high | 72 Ų | 72 | 81.8 Ų | 81.8 | 60% | 0.595 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.5 | -31.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E126 F128 | E126-A130 WeakPolarHBondContact O-CB 3.45Å; E126-A130 PolarHBondContact O-N 3.04Å; F128-A130 PolarHBondContact O-N 3.43Å |
| 131 | A | 91.9 | Very high | 90 | Very high | 83 Ų | 83 | 86.8 Ų | 86.8 | 69% | 0.686 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -78.5 | -25.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G127 F128 R129 | G127-A131 WeakPolarHBondContact O-CB 3.25Å; G127-A131 PolarHBondContact O-N 3.3Å; G127-A131 VanDerWaalsContact O-N 3.16Å; F128-A131 PolarHBondContact O-N 2.89Å; R129-A131 PolarHBondContact O-N 3.26Å |
| 132 | L | 92.6 | Very high | 89.5 | Confident | 153 Ų | 153 | 85.3 Ų | 85.3 | 80% | 0.801 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -83.9 | -24.9 | 176.2 | -71.3 | 172.5 | 0 | 0 | 0 | 112.6 | F128 R129 | F128-L132 WeakPolarHBondContact O-CG 3.33Å; F128-L132 PolarHBondContact O-N 3.32Å; R129-L132 PolarHBondContact O-N 3.26Å; R129-L132 VanDerWaalsContact O-N 3.14Å |
| 133 | G | 87.1 | Confident | 88.9 | Confident | 27 Ų | 27 | 84.9 Ų | 84.9 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -82.9 | 162.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | R129 G135 | R129-G133 PolarHBondContact O-N 2.91Å; R129-G133 VanDerWaalsContact O-N 3.07Å; G133-G135 PolarHBondContact O-N 2.88Å; G133-G135 VanDerWaalsContact O-N 3.09Å |
| 134 | D | 88.6 | Confident | 88.4 | Confident | 144 Ų | 144 | 91.2 Ų | 91.2 | 77% | 0.77 | 51% | 0.511 | S | S | * | . | trans | -77.9 | 13.7 | -178.2 | -58 | -32.8 | 0 | 0 | 0 | 114.2 | K136 | D134-K136 PolarHBondContact O-N 3.21Š| ||
| 135 | G | 81.2 | Confident | 87.6 | Confident | 69 Ų | 69 | 93.7 Ų | 93.7 | 71% | 0.711 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 73.8 | -0.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | G133 | G133-G135 PolarHBondContact O-N 2.88Å; G133-G135 VanDerWaalsContact O-N 3.09Å |
| 136 | K | 85.8 | Confident | 86.5 | Confident | 186 Ų | 186 | 97.2 Ų | 97.2 | 81% | 0.809 | 55% | 0.547 | S | S | * | . | trans | -76.5 | -25.6 | 174 | -64.6 | 177.7 | -177.3 | 170.3 | 0 | 113 | D134 | D134-K136 PolarHBondContact O-N 3.21Š| ||
| 137 | E | 84.6 | Confident | 85.3 | Confident | 134 Ų | 134 | 103.7 Ų | 103.7 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -71.3 | 143.2 | -180 | -64.2 | -173.2 | 174.8 | 0 | 0 | 111.3 | ||
| 138 | P | 85.4 | Confident | 83.6 | Confident | 115 Ų | 115 | 114.5 Ų | 114.5 | 75% | 0.747 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 154.7 | 178.3 | 28.5 | -35.2 | 0 | 0 | 0 | 111.7 | G140 | P138-G140 PolarHBondContact O-N 3.04Š|
| 139 | S | 84.5 | Confident | 83.1 | Confident | 71 Ų | 71 | 114.1 Ų | 114.1 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 136.7 | 176 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 140 | G | 85.2 | Confident | 82.7 | Confident | 26 Ų | 26 | 111.5 Ų | 111.5 | 27% | 0.268 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 154.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P138 L142 S143 R144 | P138-G140 PolarHBondContact O-N 3.04Å; G140-L142 VanDerWaalsContact C-N 3.34Å; G140-L142 PolarHBondContact O-N 3.02Å; G140-S143 WeakPolarHBondContact CA-OG 3.29Å; G140-S143 PolarHBondContact N-OG 3.45Å; G140-S143 WeakPolarHBondContact O-CB 3.31Å; G140-S143 PolarHBondContact O-N 3.46Å; G140-S143 PolarHBondContact O-OG 3.15Å; G140-R144 PolarHBondContact O-N 3.1Å |
| 141 | V | 87.1 | Confident | 82.2 | Confident | 105 Ų | 105 | 113.7 Ų | 113.7 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -59.1 | -43.4 | -171 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | E126 S143 | E126-V141 PolarHBondContact OE1-N 3.16Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 2.72Å |
| 142 | L | 85.9 | Confident | 81.7 | Confident | 58 Ų | 58 | 115.5 Ų | 115.5 | 30% | 0.304 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -80 | -10.4 | 179.4 | -57.1 | 173.2 | 0 | 0 | 0 | 113.3 | L119 A122 E126 G140 | L119-L142 HydrophobicContact CD1-CD1 3.93Å; L119-L142 HydrophobicContact CD1-CD2 3.8Å; L119-L142 HydrophobicContact CD1-CG 4.49Å; A122-L142 HydrophobicContact CB-CD1 3.62Å; E126-L142 PolarHBondContact OE1-N 3.5Å; E126-L142 VanDerWaalsContact OE1-N 3.13Å; E126-L142 WeakPolarHBondContact OE2-CB 3.46Å; E126-L142 PolarHBondContact OE2-N 3.22Å; G140-L142 VanDerWaalsContact C-N 3.34Å; G140-L142 PolarHBondContact O-N 3.02Å |
| 143 | S | 83.9 | Confident | 81 | Confident | 26 Ų | 26 | 113.2 Ų | 113.2 | 18% | 0.182 | 62% | 0.62 | C | S | . | * | G | 310 helix | trans | -89.1 | -11.7 | 178.1 | 77 | 0 | 0 | 0 | 0 | 113.6 | E126 G140 V141 V145 | E126-S143 PolarHBondContact OE2-N 3.37Å; G140-S143 WeakPolarHBondContact CA-OG 3.29Å; G140-S143 PolarHBondContact N-OG 3.45Å; G140-S143 WeakPolarHBondContact O-CB 3.31Å; G140-S143 PolarHBondContact O-N 3.46Å; G140-S143 PolarHBondContact O-OG 3.15Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 2.72Å; S143-V145 PolarHBondContact O-N 3.01Å; S143-V145 VanDerWaalsContact O-N 3.17Å |
| 144 | R | 84.6 | Confident | 80.6 | Confident | 164 Ų | 164 | 118.9 Ų | 118.9 | 62% | 0.619 | 64% | 0.643 | S | S | * | * | trans | -69.2 | 109.9 | 174.9 | -64.6 | 176.2 | -171.7 | -177.7 | 1 | 108.8 | G140 | G140-R144 PolarHBondContact O-N 3.1Š| ||
| 145 | V | 76.7 | Confident | 80 | Confident | 98 Ų | 98 | 117.1 Ų | 117.1 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | trans | -81.7 | 126.4 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | S143 L147 | S143-V145 PolarHBondContact O-N 3.01Å; S143-V145 VanDerWaalsContact O-N 3.17Å; V145-L147 PolarHBondContact O-N 3.35Å | ||
| 146 | M | 70.8 | Confident | 79.9 | Confident | 169 Ų | 169 | 120.8 Ų | 120.8 | 83% | 0.833 | 63% | 0.628 | S | S | * | * | trans | -68.5 | 116.2 | 166.8 | -139.2 | 175.3 | -165 | 0 | 0 | 106.8 | Q148 | M146-Q148 PolarHBondContact O-N 3.17Š| ||
| 147 | L | 67.9 | Low | 79.4 | Confident | 171 Ų | 171 | 115.4 Ų | 115.4 | 90% | 0.895 | 61% | 0.613 | S | S | * | * | trans | -64.9 | 109.4 | 170.8 | -67.6 | 171.6 | 0 | 0 | 0 | 106.8 | V145 | V145-L147 PolarHBondContact O-N 3.35Š| ||
| 148 | Q | 56.8 | Low | 79 | Confident | 248 Ų | 248 | 113.7 Ų | 113.7 | 100% | 1.159 | 61% | 0.612 | S | S | * | * | trans | -87.4 | 0 | 172 | -71.6 | -170.9 | -38.4 | 0 | 0 | 110 | M146 | M146-Q148 PolarHBondContact O-N 3.17Š|
Retrieved 148 of 148 residues in 224.2 ms
(Link to these results)