| 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 | 37.2 | Very low | 50.1 | Low | 240 Ų | 240 | 122.7 Ų | 122.7 | 100% | 1.182 | 70% | 0.703 | S | S | * | * | 0 | 104 | 0 | -72.1 | 169.9 | 80.3 | 0 | 0 | 106.5 | E3 | M1-E3 PolarHBondContact O-N 3.3Š| |||
| 2 | A | 34 | Very low | 52.2 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | trans | -78.5 | 117.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | M4 | A2-M4 PolarHBondContact O-N 3.45Å; A2-M4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | E | 37.4 | Very low | 54.5 | Low | 179 Ų | 179 | 119.7 Ų | 119.7 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | trans | -62.8 | 111.6 | 168.9 | -73.3 | 177.7 | 155.9 | 0 | 0 | 108.6 | M1 R5 | M1-E3 PolarHBondContact O-N 3.3Å; E3-R5 VanDerWaalsContact C-N 3.31Å; E3-R5 PolarHBondContact O-N 3.3Å | ||
| 4 | M | 34 | Very low | 56.5 | Low | 187 Ų | 187 | 112.2 Ų | 112.2 | 92% | 0.921 | 64% | 0.638 | S | S | * | * | trans | -63 | 95.7 | 164 | -101.1 | 163.3 | 59.3 | 0 | 0 | 107.7 | A2 S6 | A2-M4 PolarHBondContact O-N 3.45Å; A2-M4 VanDerWaalsContact O-N 3.16Å; M4-S6 PolarHBondContact O-N 3.29Å | ||
| 5 | R | 40.4 | Very low | 58.5 | Low | 230 Ų | 230 | 105.5 Ų | 105.5 | 87% | 0.868 | 60% | 0.6 | S | S | * | * | trans | -64.4 | 100.9 | 161.7 | -74.5 | -175.6 | 175.7 | -167.1 | -1.6 | 107.2 | E3 G7 | E3-R5 VanDerWaalsContact C-N 3.31Å; E3-R5 PolarHBondContact O-N 3.3Å; R5-G7 PolarHBondContact O-N 3.26Å | ||
| 6 | S | 46.2 | Very low | 60.2 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 76% | 0.755 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124.5 | 165.9 | 40.2 | 0 | 0 | 0 | 0 | 108 | M4 | M4-S6 PolarHBondContact O-N 3.29Š|
| 7 | G | 51.7 | Low | 61.8 | Low | 54 Ų | 54 | 99.9 Ų | 99.9 | 56% | 0.557 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 169.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R5 V9 | R5-G7 PolarHBondContact O-N 3.26Å; G7-V9 PolarHBondContact O-N 3.24Å; G7-V9 VanDerWaalsContact O-N 3.11Å |
| 8 | P | 58.6 | Low | 63.3 | Low | 134 Ų | 134 | 97.8 Ų | 97.8 | 87% | 0.87 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 122.6 | 177.8 | 22.1 | -31.3 | 0 | 0 | 0 | 109.9 | A10 | P8-A10 PolarHBondContact O-N 3.37Š|
| 9 | V | 63.6 | Low | 64.6 | Low | 46 Ų | 46 | 95.5 Ų | 95.5 | 28% | 0.279 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 125.5 | 179.2 | 178.8 | 0 | 0 | 0 | 0 | 108 | G7 Q13 L14 L23 | G7-V9 PolarHBondContact O-N 3.24Å; G7-V9 VanDerWaalsContact O-N 3.11Å; V9-Q13 HydrophobicContact CG1-CB 3.61Å; V9-L14 HydrophobicContact CB-CD2 4.07Å; V9-L14 HydrophobicContact CB-CG 4.41Å; V9-L14 HydrophobicContact CG1-CD2 3.72Å; V9-L14 HydrophobicContact CG1-CG 3.94Å; V9-L23 HydrophobicContact CG2-CD1 4.24Å; V9-L23 HydrophobicContact CG2-CD2 4.45Å |
| 10 | A | 75.3 | Confident | 65.8 | Low | 47 Ų | 47 | 98.4 Ų | 98.4 | 39% | 0.388 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 146.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P8 Q13 L14 | P8-A10 PolarHBondContact O-N 3.37Å; A10-Q13 HydrophobicContact CB-CG 4.38Å; A10-Q13 WeakPolarHBondContact O-CA 2.77Å; A10-Q13 VanDerWaalsContact O-CB 3.29Å; A10-Q13 WeakPolarHBondContact O-CB 3.28Å; A10-Q13 PolarHBondContact O-N 2.95Å; A10-L14 PolarHBondContact O-N 3.09Å |
| 11 | G | 73.1 | Confident | 67 | Low | 21 Ų | 21 | 94.3 Ų | 94.3 | 22% | 0.216 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -46.1 | -46.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q13 L14 N15 D60 | G11-Q13 VanDerWaalsContact C-N 3.26Å; G11-Q13 PolarHBondContact O-N 3.15Å; G11-L14 WeakPolarHBondContact O-CB 3.49Å; G11-L14 PolarHBondContact O-N 3.29Å; G11-L14 VanDerWaalsContact O-N 3.16Å; G11-N15 PolarHBondContact O-N 3.44Å; G11-D60 CarbonylContact C-O 3.36Å; G11-D60 VanDerWaalsContact C-O 3.25Å; G11-D60 WeakPolarHBondContact CA-O 3.39Å |
| 12 | P | 75.3 | Confident | 69.5 | Low | 89 Ų | 89 | 88 Ų | 88 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -28.5 | 175 | -26.6 | 36.1 | 0 | 0 | 0 | 114.8 | ||
| 13 | Q | 81.9 | Confident | 72.2 | Confident | 117 Ų | 117 | 87.3 Ų | 87.3 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.3 | -36.5 | 176.6 | -63.2 | 170.2 | -9.3 | 0 | 0 | 110.8 | V9 A10 G11 N15 A16 | V9-Q13 HydrophobicContact CG1-CB 3.61Å; A10-Q13 HydrophobicContact CB-CG 4.38Å; A10-Q13 WeakPolarHBondContact O-CA 2.77Å; A10-Q13 VanDerWaalsContact O-CB 3.29Å; A10-Q13 WeakPolarHBondContact O-CB 3.28Å; A10-Q13 PolarHBondContact O-N 2.95Å; G11-Q13 VanDerWaalsContact C-N 3.26Å; G11-Q13 PolarHBondContact O-N 3.15Å; Q13-N15 VanDerWaalsContact C-N 3.3Å; Q13-N15 PolarHBondContact O-N 2.7Å; Q13-A16 PolarHBondContact O-N 2.9Å |
| 14 | L | 82.3 | Confident | 74.7 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 8% | 0.079 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 174.9 | -65.9 | 175.1 | 0 | 0 | 0 | 112.1 | V9 A10 G11 A16 L17 L23 F61 | V9-L14 HydrophobicContact CB-CD2 4.07Å; V9-L14 HydrophobicContact CB-CG 4.41Å; V9-L14 HydrophobicContact CG1-CD2 3.72Å; V9-L14 HydrophobicContact CG1-CG 3.94Å; A10-L14 PolarHBondContact O-N 3.09Å; G11-L14 WeakPolarHBondContact O-CB 3.49Å; G11-L14 PolarHBondContact O-N 3.29Å; G11-L14 VanDerWaalsContact O-N 3.16Å; L14-A16 PolarHBondContact O-N 3.34Å; L14-L17 HydrophobicContact CD2-CD1 3.9Å; L14-L17 WeakPolarHBondContact O-CB 3.36Å; L14-L17 PolarHBondContact O-N 3.12Å; L14-L17 VanDerWaalsContact O-N 3.1Å; L14-L23 HydrophobicContact CD2-CB 3.92Å; L14-L23 WeakPolarHBondContact CD2-O 3.27Å; L14-F61 HydrophobicContact CB-CB 4Å; L14-F61 HydrophobicContact CB-CD1 4.1Å; L14-F61 HydrophobicContact CB-CD2 3.61Å; L14-F61 HydrophobicContact CB-CE2 4.1Å; L14-F61 HydrophobicContact CB-CG 3.62Å; L14-F61 HydrophobicContact CD1-CB 3.67Å; L14-F61 HydrophobicContact CD1-CD1 4.15Å; L14-F61 HydrophobicContact CD1-CG 3.96Å; L14-F61 HydrophobicContact CG-CB 4.48Å; L14-F61 HydrophobicContact CG-CG 4.45Å |
| 15 | N | 85.8 | Confident | 77.5 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.064 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.2 | -33.1 | 175.9 | -88.6 | -20.6 | 0 | 0 | 0 | 114.3 | G11 Q13 L17 R57 D60 F61 R151 K190 | G11-N15 PolarHBondContact O-N 3.44Å; Q13-N15 VanDerWaalsContact C-N 3.3Å; Q13-N15 PolarHBondContact O-N 2.7Å; N15-L17 VanDerWaalsContact C-N 3.3Å; N15-R57 VanDerWaalsContact OD1-CA 3.26Å; N15-R57 WeakPolarHBondContact OD1-CA 3.44Å; N15-R57 WeakPolarHBondContact OD1-CG 3.2Å; N15-D60 PolarHBondContact ND2-OD1 3.01Å; N15-F61 WeakPolarHBondContact OD1-CD2 3.46Å; N15-F61 WeakPolarHBondContact OD1-CE2 3.48Å; N15-R151 PolarHBondContact O-NE 3.29Å; N15-R151 PolarHBondContact O-NH2 3.01Å; N15-K190 PolarHBondContact ND2-NZ 2.92Å |
| 16 | A | 85.8 | Confident | 80 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 60% | 0.595 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -14.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q13 L14 R151 | Q13-A16 PolarHBondContact O-N 2.9Å; L14-A16 PolarHBondContact O-N 3.34Å; A16-R151 PolarHBondContact O-NH2 3.45Å; A16-R151 VanDerWaalsContact O-NH2 3.12Å |
| 17 | L | 88 | Confident | 82.2 | Confident | 43 Ų | 43 | 61 Ų | 61 | 23% | 0.225 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -78.1 | 154.3 | -176.5 | -59.7 | 177.7 | 0 | 0 | 0 | 112 | L14 N15 L23 V24 R151 | L14-L17 HydrophobicContact CD2-CD1 3.9Å; L14-L17 WeakPolarHBondContact O-CB 3.36Å; L14-L17 PolarHBondContact O-N 3.12Å; L14-L17 VanDerWaalsContact O-N 3.1Å; N15-L17 VanDerWaalsContact C-N 3.3Å; L17-L23 HydrophobicContact CD1-CB 3.76Å; L17-L23 HydrophobicContact CD1-CD1 3.8Å; L17-L23 HydrophobicContact CD1-CG 4.4Å; L17-V24 HydrophobicContact CB-CG2 3.99Å; L17-V24 HydrophobicContact CD1-CG2 4.41Å; L17-R151 PolarHBondContact O-NH2 3.35Å |
| 18 | P | 88.9 | Confident | 84.3 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 41% | 0.409 | 35% | 0.353 | S | S | . | . | trans | -61.8 | 151.3 | 168.3 | -20.2 | 32.3 | 0 | 0 | 0 | 112.3 | H20 S21 | P18-H20 VanDerWaalsContact CB-CE1 3.44Å; P18-H20 WeakPolarHBondContact CB-CE1 3.41Å; P18-H20 PolarHBondContact O-N 2.81Å; P18-S21 WeakPolarHBondContact O-CB 3.46Å; P18-S21 PolarHBondContact O-N 3.44Å | ||
| 19 | D | 88.5 | Confident | 86 | Confident | 54 Ų | 54 | 58 Ų | 58 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -36.5 | -177.7 | -58.2 | 40.3 | 0 | 0 | 0 | 112.3 | S21 Q25 L53 R57 | D19-S21 VanDerWaalsContact C-N 3.26Å; D19-S21 PolarHBondContact O-N 3.49Å; D19-Q25 PolarHBondContact O-NE2 3.33Å; D19-L53 HydrophobicContact CB-CD1 3.76Å; D19-L53 VanDerWaalsContact OD2-CD1 3.26Å; D19-L53 WeakPolarHBondContact OD2-CD1 3.48Å; D19-R57 IonicContact OD1-CZ 2.96Å; D19-R57 IonicContact OD1-NH2 3.13Å; D19-R57 PolarHBondContact OD1-NH2 3.5Å; D19-R57 IonicContact OD2-CZ 3.86Å; D19-R57 IonicContact OD2-NH1 2.9Å; D19-R57 PolarHBondContact OD2-NH1 3.28Å; D19-R57 IonicContact OD2-NH2 3.94Å; D19-R57 PolarHBondContact OD2-NH2 3.3Å |
| 20 | H | 87.1 | Confident | 87.5 | Confident | 152 Ų | 152 | 59.4 Ų | 59.4 | 70% | 0.704 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 4.9 | 178.7 | 60.9 | -91.4 | 0 | 0 | 0 | 113.6 | P18 | P18-H20 VanDerWaalsContact CB-CE1 3.44Å; P18-H20 WeakPolarHBondContact CB-CE1 3.41Å; P18-H20 PolarHBondContact O-N 2.81Å |
| 21 | S | 90.9 | Very high | 88.4 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | trans | -61.2 | 132.9 | 178.4 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | P18 D19 L23 V24 Q25 | P18-S21 WeakPolarHBondContact O-CB 3.46Å; P18-S21 PolarHBondContact O-N 3.44Å; D19-S21 VanDerWaalsContact C-N 3.26Å; D19-S21 PolarHBondContact O-N 3.49Å; S21-L23 PolarHBondContact O-N 2.97Å; S21-L23 PolarHBondContact OG-N 3.47Å; S21-V24 WeakPolarHBondContact O-CB 3.18Å; S21-V24 PolarHBondContact O-N 3.5Å; S21-Q25 WeakPolarHBondContact O-CG 3.5Å; S21-Q25 PolarHBondContact O-N 2.93Å | ||
| 22 | P | 90.3 | Very high | 89.4 | Confident | 108 Ų | 108 | 59 Ų | 59 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.7 | 177 | 26.6 | -35.2 | 0 | 0 | 0 | 112.8 | P26 | P22-P26 WeakPolarHBondContact O-CD 3.26Š|
| 23 | L | 90.3 | Very high | 90.2 | Very high | 89 Ų | 89 | 58.8 Ų | 58.8 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -21.9 | 175.3 | -61.1 | 172.4 | 0 | 0 | 0 | 113 | V9 L14 L17 S21 | V9-L23 HydrophobicContact CG2-CD1 4.24Å; V9-L23 HydrophobicContact CG2-CD2 4.45Å; L14-L23 HydrophobicContact CD2-CB 3.92Å; L14-L23 WeakPolarHBondContact CD2-O 3.27Å; L17-L23 HydrophobicContact CD1-CB 3.76Å; L17-L23 HydrophobicContact CD1-CD1 3.8Å; L17-L23 HydrophobicContact CD1-CG 4.4Å; S21-L23 PolarHBondContact O-N 2.97Å; S21-L23 PolarHBondContact OG-N 3.47Å |
| 24 | V | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -36.4 | 178.9 | 162.6 | 0 | 0 | 0 | 0 | 111.3 | L17 S21 P26 C27 L28 L53 F61 | L17-V24 HydrophobicContact CB-CG2 3.99Å; L17-V24 HydrophobicContact CD1-CG2 4.41Å; S21-V24 WeakPolarHBondContact O-CB 3.18Å; S21-V24 PolarHBondContact O-N 3.5Å; V24-P26 VanDerWaalsContact C-CD 3.47Å; V24-C27 PolarHBondContact O-N 3.29Å; V24-L28 PolarHBondContact O-N 3.45Å; V24-L53 HydrophobicContact CG1-CD2 3.68Å; V24-F61 HydrophobicContact CB-CE1 4.37Å; V24-F61 HydrophobicContact CG1-CE1 3.86Å; V24-F61 HydrophobicContact CG1-CZ 4.07Å; V24-F61 HydrophobicContact CG2-CE1 4.18Å; V24-F61 HydrophobicContact CG2-CZ 4.09Å |
| 25 | Q | 92 | Very high | 91.1 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.5 | -40.3 | -173.7 | -68.3 | -62.9 | -45.9 | 0 | 0 | 114.8 | D19 S21 C27 L28 Q29 | D19-Q25 PolarHBondContact O-NE2 3.33Å; S21-Q25 WeakPolarHBondContact O-CG 3.5Å; S21-Q25 PolarHBondContact O-N 2.93Å; Q25-C27 PolarHBondContact O-N 2.97Å; Q25-L28 WeakPolarHBondContact O-CB 3.41Å; Q25-L28 PolarHBondContact O-N 3.46Å; Q25-Q29 WeakPolarHBondContact O-CG 3.5Å; Q25-Q29 PolarHBondContact O-N 3.06Å |
| 26 | P | 93.6 | Very high | 91.3 | Very high | 74 Ų | 74 | 59.1 Ų | 59.1 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 179.1 | -25.9 | 35.5 | 0 | 0 | 0 | 113.2 | P22 V24 L28 Q29 E30 | P22-P26 WeakPolarHBondContact O-CD 3.26Å; V24-P26 VanDerWaalsContact C-CD 3.47Å; P26-L28 VanDerWaalsContact C-N 3.28Å; P26-L28 PolarHBondContact O-N 3.49Å; P26-Q29 PolarHBondContact O-N 3.34Å; P26-E30 VanDerWaalsContact O-CB 3.31Å; P26-E30 WeakPolarHBondContact O-CB 3.05Å; P26-E30 PolarHBondContact O-N 3.04Å |
| 27 | C | 93.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 62.5 Ų | 62.5 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -35 | 178 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | V24 Q25 L31 L56 F61 | V24-C27 PolarHBondContact O-N 3.29Å; Q25-C27 PolarHBondContact O-N 2.97Å; C27-L31 WeakPolarHBondContact O-CB 3.24Å; C27-L31 PolarHBondContact O-N 3.37Å; C27-L56 HydrophobicContact CB-CD1 4.31Å; C27-L56 HydrophobicContact CB-CD2 4.14Å; C27-F61 HydrophobicContact CB-CD1 3.9Å; C27-F61 HydrophobicContact CB-CE1 4.45Å |
| 28 | L | 94.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.8 | -46.7 | 178.2 | -179.3 | 58.8 | 0 | 0 | 0 | 112.1 | V24 Q25 P26 E30 L31 R32 D49 L52 L53 L56 | V24-L28 PolarHBondContact O-N 3.45Å; Q25-L28 WeakPolarHBondContact O-CB 3.41Å; Q25-L28 PolarHBondContact O-N 3.46Å; P26-L28 VanDerWaalsContact C-N 3.28Å; P26-L28 PolarHBondContact O-N 3.49Å; L28-E30 VanDerWaalsContact C-N 3.34Å; L28-L31 PolarHBondContact O-N 2.95Å; L28-R32 WeakPolarHBondContact O-CB 3.4Å; L28-R32 PolarHBondContact O-N 3.36Å; L28-D49 HydrophobicContact CD2-CB 3.84Å; L28-L52 HydrophobicContact CD1-CB 3.5Å; L28-L52 HydrophobicContact CD1-CD1 4.01Å; L28-L52 HydrophobicContact CD1-CG 4.4Å; L28-L53 HydrophobicContact CD1-CG 4.18Å; L28-L53 HydrophobicContact CD2-CD1 4.49Å; L28-L53 HydrophobicContact CD2-CG 4.38Å; L28-L56 HydrophobicContact CB-CD1 4.22Å; L28-L56 HydrophobicContact CD1-CD1 4.21Å |
| 29 | Q | 94.1 | Very high | 91.2 | Very high | 122 Ų | 122 | 63.2 Ų | 63.2 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 176.7 | -72 | 175.1 | -3.3 | 0 | 0 | 111.4 | Q25 P26 R32 H33 | Q25-Q29 WeakPolarHBondContact O-CG 3.5Å; Q25-Q29 PolarHBondContact O-N 3.06Å; P26-Q29 PolarHBondContact O-N 3.34Å; Q29-R32 WeakPolarHBondContact O-CB 3.28Å; Q29-R32 PolarHBondContact O-N 3.12Å; Q29-H33 WeakPolarHBondContact O-CB 3.47Å; Q29-H33 PolarHBondContact O-N 3.36Å |
| 30 | E | 95.3 | Very high | 90.5 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 178.5 | 174.8 | 58.5 | -156.5 | 0 | 0 | 112 | P26 L28 R32 H33 R34 L63 | P26-E30 VanDerWaalsContact O-CB 3.31Å; P26-E30 WeakPolarHBondContact O-CB 3.05Å; P26-E30 PolarHBondContact O-N 3.04Å; L28-E30 VanDerWaalsContact C-N 3.34Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.03Å; E30-H33 PolarHBondContact O-N 2.95Å; E30-R34 WeakPolarHBondContact O-CG 3.42Å; E30-R34 PolarHBondContact O-N 3.33Å; E30-R34 IonicContact OE1-CZ 3.69Å; E30-R34 IonicContact OE1-NE 3.62Å; E30-R34 PolarHBondContact OE1-NE 3.06Å; E30-R34 IonicContact OE1-NH2 3.44Å; E30-L63 HydrophobicContact CB-CD1 4.31Å; E30-L63 HydrophobicContact CB-CD2 4.2Å; E30-L63 HydrophobicContact CG-CD1 3.94Å; E30-L63 HydrophobicContact CG-CD2 3.18Å; E30-L63 HydrophobicContact CG-CG 4.12Å |
| 31 | L | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.4 | -178 | 59.5 | 0 | 0 | 0 | 110.8 | C27 L28 R34 V35 L52 F55 L56 L63 A66 W67 L70 | C27-L31 WeakPolarHBondContact O-CB 3.24Å; C27-L31 PolarHBondContact O-N 3.37Å; L28-L31 PolarHBondContact O-N 2.95Å; L31-R34 PolarHBondContact O-N 3.19Å; L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 3.35Å; L31-V35 VanDerWaalsContact O-N 3.12Å; L31-L52 HydrophobicContact CD2-CB 4.26Å; L31-L52 HydrophobicContact CD2-CD2 4.23Å; L31-L52 HydrophobicContact CG-CD2 4.31Å; L31-F55 HydrophobicContact CD2-CB 4.32Å; L31-L56 HydrophobicContact CB-CD2 4.42Å; L31-L56 HydrophobicContact CD2-CD1 4.28Å; L31-L56 HydrophobicContact CD2-CD2 4.01Å; L31-L56 HydrophobicContact CD2-CG 3.74Å; L31-L63 HydrophobicContact CB-CD1 3.81Å; L31-L63 HydrophobicContact CD1-CD1 4.45Å; L31-A66 HydrophobicContact CD2-CB 4.41Å; L31-W67 HydrophobicContact CD1-CB 4Å; L31-W67 HydrophobicContact CD1-CE3 4.07Å; L31-L70 HydrophobicContact CD1-CD2 4.47Å |
| 32 | R | 93.6 | Very high | 88.1 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | 175.4 | 176.4 | -179.6 | -61.7 | -69.4 | -3.7 | 111.5 | L28 Q29 E30 R34 V35 E36 L47 D49 L52 | L28-R32 WeakPolarHBondContact O-CB 3.4Å; L28-R32 PolarHBondContact O-N 3.36Å; Q29-R32 WeakPolarHBondContact O-CB 3.28Å; Q29-R32 PolarHBondContact O-N 3.12Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.03Å; R32-R34 VanDerWaalsContact C-N 3.32Å; R32-R34 PolarHBondContact O-N 2.93Å; R32-V35 WeakPolarHBondContact O-CB 3.43Å; R32-V35 PolarHBondContact O-N 2.9Å; R32-E36 VanDerWaalsContact CG-OE1 3.26Å; R32-E36 WeakPolarHBondContact CG-OE1 3.4Å; R32-E36 WeakPolarHBondContact O-CG 3.36Å; R32-E36 PolarHBondContact O-N 3.42Å; R32-L47 PolarHBondContact NH1-O 3.48Å; R32-L47 PolarHBondContact NH2-O 3.13Å; R32-D49 IonicContact CZ-OD1 3.09Å; R32-D49 IonicContact NH2-OD1 3.38Å; R32-D49 PolarHBondContact NH2-OD1 3.45Å; R32-L52 HydrophobicContact CB-CD1 3.75Å; R32-L52 HydrophobicContact CG-CD1 4.39Å |
| 33 | H | 93.3 | Very high | 86.6 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 39% | 0.389 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 177 | -179.7 | -96.8 | 0 | 0 | 0 | 111.7 | Q29 E30 V35 E36 E37 | Q29-H33 WeakPolarHBondContact O-CB 3.47Å; Q29-H33 PolarHBondContact O-N 3.36Å; E30-H33 PolarHBondContact O-N 2.95Å; H33-V35 VanDerWaalsContact C-N 3.27Å; H33-V35 PolarHBondContact O-N 3.28Å; H33-E36 PolarHBondContact O-N 2.89Å; H33-E36 VanDerWaalsContact O-N 3.15Å; H33-E37 IonicContact CE1-OE1 3.68Å; H33-E37 PolarHBondContact CE1-OE1 3.44Å; H33-E37 IonicContact CE1-OE2 3.32Å; H33-E37 PolarHBondContact CE1-OE2 3.35Å; H33-E37 IonicContact ND1-OE2 2.7Å; H33-E37 IonicContact NE2-OE1 2.7Å; H33-E37 PolarHBondContact O-N 2.97Å |
| 34 | R | 94 | Very high | 84.5 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.6 | -34.3 | 176.7 | -69.2 | 176.4 | 178.9 | -150.7 | -2.9 | 113.5 | E30 L31 R32 A38 D64 W67 | E30-R34 WeakPolarHBondContact O-CG 3.42Å; E30-R34 PolarHBondContact O-N 3.33Å; E30-R34 IonicContact OE1-CZ 3.69Å; E30-R34 IonicContact OE1-NE 3.62Å; E30-R34 PolarHBondContact OE1-NE 3.06Å; E30-R34 IonicContact OE1-NH2 3.44Å; L31-R34 PolarHBondContact O-N 3.19Å; R32-R34 VanDerWaalsContact C-N 3.32Å; R32-R34 PolarHBondContact O-N 2.93Å; R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.3Å; R34-A38 PolarHBondContact O-N 3.27Å; R34-D64 IonicContact CZ-OD1 2.68Å; R34-D64 IonicContact NH1-OD1 3.99Å; R34-D64 PolarHBondContact NH1-OD1 3.43Å; R34-D64 IonicContact NH2-OD1 2.72Å; R34-D64 PolarHBondContact NH2-OD1 2.99Å; R34-D64 VanDerWaalsContact NH2-OD1 3.12Å; R34-W67 HydrophobicContact CB-CD2 4.24Å; R34-W67 HydrophobicContact CB-CE3 4.38Å |
| 35 | V | 89.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 175.2 | -170.1 | 0 | 0 | 0 | 0 | 110.9 | L31 R32 H33 A38 G39 V40 L47 L52 W67 L70 | L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 3.35Å; L31-V35 VanDerWaalsContact O-N 3.12Å; R32-V35 WeakPolarHBondContact O-CB 3.43Å; R32-V35 PolarHBondContact O-N 2.9Å; H33-V35 VanDerWaalsContact C-N 3.27Å; H33-V35 PolarHBondContact O-N 3.28Å; V35-A38 PolarHBondContact O-N 2.9Å; V35-G39 PolarHBondContact O-N 3.12Å; V35-V40 HydrophobicContact CG1-CB 3.61Å; V35-V40 HydrophobicContact CG1-CG1 4.24Å; V35-V40 HydrophobicContact CG1-CG2 3.88Å; V35-L47 HydrophobicContact CB-CD1 4.21Å; V35-L47 HydrophobicContact CB-CD2 4.12Å; V35-L47 HydrophobicContact CG1-CD1 3.69Å; V35-L47 HydrophobicContact CG1-CD2 3.55Å; V35-L47 HydrophobicContact CG1-CG 4.24Å; V35-L47 HydrophobicContact CG2-CD2 4.02Å; V35-L52 HydrophobicContact CG2-CD2 4.09Å; V35-W67 HydrophobicContact CB-CZ3 4.38Å; V35-W67 HydrophobicContact CG2-CZ3 3.94Å; V35-L70 HydrophobicContact CG2-CD2 3.48Å; V35-L70 VanDerWaalsContact CG2-CD2 3.48Å |
| 36 | E | 88.4 | Confident | 81.3 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | -178.3 | -70.9 | 168.7 | -174.1 | 0 | 0 | 111 | R32 H33 A38 G39 | R32-E36 VanDerWaalsContact CG-OE1 3.26Å; R32-E36 WeakPolarHBondContact CG-OE1 3.4Å; R32-E36 WeakPolarHBondContact O-CG 3.36Å; R32-E36 PolarHBondContact O-N 3.42Å; H33-E36 PolarHBondContact O-N 2.89Å; H33-E36 VanDerWaalsContact O-N 3.15Å; E36-A38 VanDerWaalsContact C-N 3.3Å; E36-A38 PolarHBondContact O-N 3.49Å; E36-G39 PolarHBondContact O-N 3.47Å |
| 37 | E | 90.6 | Very high | 80.5 | Confident | 144 Ų | 144 | 63.8 Ų | 63.8 | 67% | 0.673 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.3 | -35.1 | 176.2 | -73.2 | -168.1 | 138.2 | 0 | 0 | 113.4 | H33 G39 | H33-E37 IonicContact CE1-OE1 3.68Å; H33-E37 PolarHBondContact CE1-OE1 3.44Å; H33-E37 IonicContact CE1-OE2 3.32Å; H33-E37 PolarHBondContact CE1-OE2 3.35Å; H33-E37 IonicContact ND1-OE2 2.7Å; H33-E37 IonicContact NE2-OE1 2.7Å; H33-E37 PolarHBondContact O-N 2.97Å; E37-G39 VanDerWaalsContact C-N 3.29Å; E37-G39 PolarHBondContact O-N 2.96Å |
| 38 | A | 87.6 | Confident | 80.3 | Confident | 59 Ų | 59 | 65.8 Ų | 65.8 | 49% | 0.488 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R34 V35 E36 V40 W67 | R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.3Å; R34-A38 PolarHBondContact O-N 3.27Å; V35-A38 PolarHBondContact O-N 2.9Å; E36-A38 VanDerWaalsContact C-N 3.3Å; E36-A38 PolarHBondContact O-N 3.49Å; A38-V40 HydrophobicContact CB-CG2 3.99Å; A38-V40 PolarHBondContact O-N 2.92Å; A38-W67 HydrophobicContact CB-CH2 3.52Å; A38-W67 HydrophobicContact CB-CZ2 3.58Å |
| 39 | G | 82.6 | Confident | 80.2 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 29.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V35 E36 E37 | V35-G39 PolarHBondContact O-N 3.12Å; E36-G39 PolarHBondContact O-N 3.47Å; E37-G39 VanDerWaalsContact C-N 3.29Å; E37-G39 PolarHBondContact O-N 2.96Å |
| 40 | V | 73.7 | Confident | 80.1 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | trans | -61.7 | 140.9 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | V35 A38 Q42 W67 Y74 | V35-V40 HydrophobicContact CG1-CB 3.61Å; V35-V40 HydrophobicContact CG1-CG1 4.24Å; V35-V40 HydrophobicContact CG1-CG2 3.88Å; A38-V40 HydrophobicContact CB-CG2 3.99Å; A38-V40 PolarHBondContact O-N 2.92Å; V40-Q42 PolarHBondContact O-N 2.99Å; V40-W67 HydrophobicContact CG2-CH2 3.79Å; V40-W67 HydrophobicContact CG2-CZ3 4.28Å; V40-Y74 HydrophobicContact CG1-CD1 4.49Å; V40-Y74 HydrophobicContact CG1-CD2 3.36Å; V40-Y74 HydrophobicContact CG1-CE1 4.42Å; V40-Y74 HydrophobicContact CG1-CE2 3.25Å; V40-Y74 HydrophobicContact CG1-CG 4Å | ||
| 41 | P | 67 | Low | 80 | Confident | 90 Ų | 90 | 62.8 Ų | 62.8 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | trans | -49.6 | 130.6 | -175.2 | -28.4 | 34.2 | 0 | 0 | 0 | 112.6 | L46 | P41-L46 WeakPolarHBondContact O-CD1 3.26Š| ||
| 42 | Q | 60.4 | Low | 80 | Confident | 141 Ų | 141 | 62.8 Ų | 62.8 | 66% | 0.659 | 36% | 0.36 | S | S | * | . | trans | -103.9 | 87.5 | 177.9 | -61 | -158.7 | 4 | 0 | 0 | 109.6 | V40 L47 | V40-Q42 PolarHBondContact O-N 2.99Å; Q42-L47 HydrophobicContact CG-CD1 4.29Å | ||
| 43 | G | 58.8 | Low | 80.1 | Confident | 24 Ų | 24 | 60 Ų | 60 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | trans | -85.9 | 164.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | H45 L46 | G43-H45 PolarHBondContact O-N 2.97Å; G43-L46 VanDerWaalsContact O-CB 3.32Å; G43-L46 WeakPolarHBondContact O-CB 3.02Å; G43-L46 PolarHBondContact O-N 2.92Å | ||
| 44 | P | 45.8 | Very low | 80.3 | Confident | 128 Ų | 128 | 57.1 Ų | 57.1 | 83% | 0.831 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15 | -169 | 22 | -32.6 | 0 | 0 | 0 | 115.6 | ||
| 45 | H | 54.9 | Low | 80.4 | Confident | 84 Ų | 84 | 54.7 Ų | 54.7 | 39% | 0.389 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -1.6 | 174.3 | -63.1 | -62.1 | 0 | 0 | 0 | 113.9 | G43 S272 | G43-H45 PolarHBondContact O-N 2.97Å; H45-S272 PolarHBondContact CD2-O 2.93Å; H45-S272 PolarHBondContact CD2-OG 2.84Å; H45-S272 VanDerWaalsContact CD2-OG 3.23Å; H45-S272 VanDerWaalsContact NE2-CB 3.29Å; H45-S272 WeakPolarHBondContact NE2-CB 3.42Å; H45-S272 PolarHBondContact NE2-OG 2.62Å |
| 46 | L | 62.6 | Low | 80.8 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 124.5 | -174.5 | -56.1 | -179.8 | 0 | 0 | 0 | 106.8 | P41 G43 F51 Y74 | P41-L46 WeakPolarHBondContact O-CD1 3.26Å; G43-L46 VanDerWaalsContact O-CB 3.32Å; G43-L46 WeakPolarHBondContact O-CB 3.02Å; G43-L46 PolarHBondContact O-N 2.92Å; L46-F51 HydrophobicContact CD2-CE2 4.44Å; L46-F51 HydrophobicContact CD2-CZ 4.3Å; L46-Y74 HydrophobicContact CD1-CE1 4.17Å; L46-Y74 HydrophobicContact CD2-CE1 4.15Å |
| 47 | L | 75 | Confident | 81.2 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 21.7 | 176.4 | -37.7 | -179.4 | 0 | 0 | 0 | 117.3 | R32 V35 Q42 F51 L52 | R32-L47 PolarHBondContact NH1-O 3.48Å; R32-L47 PolarHBondContact NH2-O 3.13Å; V35-L47 HydrophobicContact CB-CD1 4.21Å; V35-L47 HydrophobicContact CB-CD2 4.12Å; V35-L47 HydrophobicContact CG1-CD1 3.69Å; V35-L47 HydrophobicContact CG1-CD2 3.55Å; V35-L47 HydrophobicContact CG1-CG 4.24Å; V35-L47 HydrophobicContact CG2-CD2 4.02Å; Q42-L47 HydrophobicContact CG-CD1 4.29Å; L47-F51 HydrophobicContact CD2-CD1 4.48Å; L47-F51 HydrophobicContact CD2-CE1 4.37Å; L47-L52 HydrophobicContact CD2-CD2 3.86Å |
| 48 | T | 89.2 | Confident | 81.5 | Confident | 69 Ų | 69 | 43.4 Ų | 43.4 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | trans | -62.8 | 155.4 | 160.1 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | A50 F51 L52 | T48-A50 PolarHBondContact O-N 3.14Å; T48-F51 WeakPolarHBondContact O-CB 3.32Å; T48-F51 PolarHBondContact O-N 2.91Å; T48-F51 WeakPolarHBondContact OG1-CB 3.45Å; T48-F51 PolarHBondContact OG1-N 3.13Å; T48-F51 VanDerWaalsContact OG1-N 3.16Å; T48-L52 PolarHBondContact O-N 3.04Å | ||
| 49 | D | 92.8 | Very high | 81.9 | Confident | 72 Ų | 72 | 42.4 Ų | 42.4 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.8 | -44.4 | 174.4 | -74.5 | 0.9 | 0 | 0 | 0 | 111.1 | L28 R32 F51 L52 L53 | L28-D49 HydrophobicContact CD2-CB 3.84Å; R32-D49 IonicContact CZ-OD1 3.09Å; R32-D49 IonicContact NH2-OD1 3.38Å; R32-D49 PolarHBondContact NH2-OD1 3.45Å; D49-F51 VanDerWaalsContact C-N 3.27Å; D49-F51 PolarHBondContact O-N 3.06Å; D49-L52 PolarHBondContact O-N 2.86Å; D49-L53 VanDerWaalsContact O-CB 3.3Å; D49-L53 WeakPolarHBondContact O-CB 3.24Å; D49-L53 WeakPolarHBondContact O-CD1 3.5Å; D49-L53 WeakPolarHBondContact O-CG 3.33Å; D49-L53 PolarHBondContact O-N 3.39Å |
| 50 | A | 92.6 | Very high | 82.5 | Confident | 54 Ų | 54 | 42.4 Ų | 42.4 | 45% | 0.446 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.2 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T48 R54 | T48-A50 PolarHBondContact O-N 3.14Å; A50-R54 WeakPolarHBondContact O-CG 3.48Å; A50-R54 PolarHBondContact O-NE 2.87Å |
| 51 | F | 93.2 | Very high | 83.5 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.8 | -51.2 | 175.7 | 175.9 | -97.8 | 0 | 0 | 0 | 111.5 | L46 L47 T48 D49 L53 R54 F55 L70 Y73 | L46-F51 HydrophobicContact CD2-CE2 4.44Å; L46-F51 HydrophobicContact CD2-CZ 4.3Å; L47-F51 HydrophobicContact CD2-CD1 4.48Å; L47-F51 HydrophobicContact CD2-CE1 4.37Å; T48-F51 WeakPolarHBondContact O-CB 3.32Å; T48-F51 PolarHBondContact O-N 2.91Å; T48-F51 WeakPolarHBondContact OG1-CB 3.45Å; T48-F51 PolarHBondContact OG1-N 3.13Å; T48-F51 VanDerWaalsContact OG1-N 3.16Å; D49-F51 VanDerWaalsContact C-N 3.27Å; D49-F51 PolarHBondContact O-N 3.06Å; F51-L53 VanDerWaalsContact C-N 3.32Å; F51-L53 PolarHBondContact O-N 3.48Å; F51-R54 VanDerWaalsContact O-CB 3.29Å; F51-R54 WeakPolarHBondContact O-CB 3.48Å; F51-R54 WeakPolarHBondContact O-CG 3.4Å; F51-R54 PolarHBondContact O-N 3.14Å; F51-F55 HydrophobicContact CD1-CE2 4.16Å; F51-F55 HydrophobicContact CD2-CE2 4.35Å; F51-F55 HydrophobicContact CE1-CD2 4.45Å; F51-F55 AromaticContact CE1-CE2 3.69Å; F51-F55 HydrophobicContact CE1-CE2 3.69Å; F51-F55 HydrophobicContact CE1-CZ 4.38Å; F51-F55 AromaticContact CE2-CE2 3.89Å; F51-F55 HydrophobicContact CE2-CE2 3.89Å; F51-F55 HydrophobicContact CE2-CZ 4.33Å; F51-F55 HydrophobicContact CG-CE2 4.48Å; F51-F55 AromaticContact CZ-CE2 3.55Å; F51-F55 HydrophobicContact CZ-CE2 3.55Å; F51-F55 AromaticContact CZ-CZ 3.91Å; F51-F55 HydrophobicContact CZ-CZ 3.91Å; F51-F55 WeakPolarHBondContact O-CD2 3.49Å; F51-L70 HydrophobicContact CE1-CD1 3.82Å; F51-L70 HydrophobicContact CZ-CD1 4.1Å; F51-Y73 HydrophobicContact CE2-CE1 4.42Å; F51-Y73 HydrophobicContact CZ-CE1 4.26Å |
| 52 | L | 94.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | -178.4 | -67.7 | 179.5 | 0 | 0 | 0 | 112.5 | L28 L31 R32 V35 L47 T48 D49 R54 F55 L56 L70 | L28-L52 HydrophobicContact CD1-CB 3.5Å; L28-L52 HydrophobicContact CD1-CD1 4.01Å; L28-L52 HydrophobicContact CD1-CG 4.4Å; L31-L52 HydrophobicContact CD2-CB 4.26Å; L31-L52 HydrophobicContact CD2-CD2 4.23Å; L31-L52 HydrophobicContact CG-CD2 4.31Å; R32-L52 HydrophobicContact CB-CD1 3.75Å; R32-L52 HydrophobicContact CG-CD1 4.39Å; V35-L52 HydrophobicContact CG2-CD2 4.09Å; L47-L52 HydrophobicContact CD2-CD2 3.86Å; T48-L52 PolarHBondContact O-N 3.04Å; D49-L52 PolarHBondContact O-N 2.86Å; L52-R54 PolarHBondContact O-N 2.95Å; L52-F55 PolarHBondContact O-N 3.21Å; L52-F55 VanDerWaalsContact O-N 3.08Å; L52-L56 PolarHBondContact O-N 3.19Å; L52-L70 HydrophobicContact CD2-CD2 4.1Å |
| 53 | L | 96.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -26.2 | 176.6 | -77 | 168.7 | 0 | 0 | 0 | 113.2 | D19 V24 L28 D49 F51 F55 L56 R57 F61 | D19-L53 HydrophobicContact CB-CD1 3.76Å; D19-L53 VanDerWaalsContact OD2-CD1 3.26Å; D19-L53 WeakPolarHBondContact OD2-CD1 3.48Å; V24-L53 HydrophobicContact CG1-CD2 3.68Å; L28-L53 HydrophobicContact CD1-CG 4.18Å; L28-L53 HydrophobicContact CD2-CD1 4.49Å; L28-L53 HydrophobicContact CD2-CG 4.38Å; D49-L53 VanDerWaalsContact O-CB 3.3Å; D49-L53 WeakPolarHBondContact O-CB 3.24Å; D49-L53 WeakPolarHBondContact O-CD1 3.5Å; D49-L53 WeakPolarHBondContact O-CG 3.33Å; D49-L53 PolarHBondContact O-N 3.39Å; F51-L53 VanDerWaalsContact C-N 3.32Å; F51-L53 PolarHBondContact O-N 3.48Å; L53-F55 VanDerWaalsContact C-N 3.29Å; L53-F55 PolarHBondContact O-N 3.25Å; L53-L56 HydrophobicContact CD2-CD1 4.16Å; L53-R57 VanDerWaalsContact O-CB 3.3Å; L53-R57 WeakPolarHBondContact O-CB 3.38Å; L53-R57 VanDerWaalsContact O-CG 3.31Å; L53-R57 WeakPolarHBondContact O-CG 3.42Å; L53-R57 PolarHBondContact O-N 3.19Å; L53-F61 HydrophobicContact CD2-CE1 4.26Å; L53-F61 HydrophobicContact CD2-CZ 4.07Å |
| 54 | R | 96.7 | Very high | 88.3 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 173.8 | -58.4 | 166.3 | -170.8 | -165.1 | -2.6 | 110.7 | A50 F51 L52 A58 E141 V144 P188 | A50-R54 WeakPolarHBondContact O-CG 3.48Å; A50-R54 PolarHBondContact O-NE 2.87Å; F51-R54 VanDerWaalsContact O-CB 3.29Å; F51-R54 WeakPolarHBondContact O-CB 3.48Å; F51-R54 WeakPolarHBondContact O-CG 3.4Å; F51-R54 PolarHBondContact O-N 3.14Å; L52-R54 PolarHBondContact O-N 2.95Å; R54-A58 WeakPolarHBondContact O-CB 3.3Å; R54-A58 PolarHBondContact O-N 2.98Å; R54-E141 IonicContact NH1-OE2 2.62Å; R54-V144 HydrophobicContact CB-CG2 4.21Å; R54-V144 HydrophobicContact CG-CG2 4.08Å; R54-P188 HydrophobicContact CB-CB 3.94Å; R54-P188 HydrophobicContact CB-CG 4.14Å |
| 55 | F | 97 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.8 | -44.7 | -177.6 | -64 | -90.9 | 0 | 0 | 0 | 111.9 | L31 F51 L52 L53 A58 R59 A66 L69 L70 Y73 P188 | L31-F55 HydrophobicContact CD2-CB 4.32Å; F51-F55 HydrophobicContact CD1-CE2 4.16Å; F51-F55 HydrophobicContact CD2-CE2 4.35Å; F51-F55 HydrophobicContact CE1-CD2 4.45Å; F51-F55 AromaticContact CE1-CE2 3.69Å; F51-F55 HydrophobicContact CE1-CE2 3.69Å; F51-F55 HydrophobicContact CE1-CZ 4.38Å; F51-F55 AromaticContact CE2-CE2 3.89Å; F51-F55 HydrophobicContact CE2-CE2 3.89Å; F51-F55 HydrophobicContact CE2-CZ 4.33Å; F51-F55 HydrophobicContact CG-CE2 4.48Å; F51-F55 AromaticContact CZ-CE2 3.55Å; F51-F55 HydrophobicContact CZ-CE2 3.55Å; F51-F55 AromaticContact CZ-CZ 3.91Å; F51-F55 HydrophobicContact CZ-CZ 3.91Å; F51-F55 WeakPolarHBondContact O-CD2 3.49Å; L52-F55 PolarHBondContact O-N 3.21Å; L52-F55 VanDerWaalsContact O-N 3.08Å; L53-F55 VanDerWaalsContact C-N 3.29Å; L53-F55 PolarHBondContact O-N 3.25Å; F55-A58 PolarHBondContact O-N 3.04Å; F55-R59 PolarHBondContact O-N 2.97Å; F55-A66 HydrophobicContact CB-CB 4.42Å; F55-L69 HydrophobicContact CD1-CB 4.32Å; F55-L69 HydrophobicContact CD1-CD2 3.9Å; F55-L69 HydrophobicContact CD1-CG 3.76Å; F55-L69 HydrophobicContact CE1-CG 4.22Å; F55-L70 HydrophobicContact CD1-CB 3.75Å; F55-L70 HydrophobicContact CD1-CD1 3.89Å; F55-L70 HydrophobicContact CD1-CG 4.44Å; F55-L70 HydrophobicContact CD2-CD1 3.86Å; F55-L70 HydrophobicContact CE1-CB 4.06Å; F55-L70 HydrophobicContact CE1-CD1 3.57Å; F55-L70 HydrophobicContact CE1-CG 4.44Å; F55-L70 HydrophobicContact CE2-CD1 3.53Å; F55-L70 HydrophobicContact CG-CB 4.17Å; F55-L70 HydrophobicContact CG-CD1 4.05Å; F55-L70 HydrophobicContact CZ-CD1 3.37Å; F55-Y73 HydrophobicContact CE1-CD1 4.47Å; F55-Y73 HydrophobicContact CE1-CG 4.07Å; F55-Y73 AromaticContact CZ-CD1 3.99Å; F55-Y73 HydrophobicContact CZ-CD1 3.99Å; F55-Y73 HydrophobicContact CZ-CD2 4.44Å; F55-Y73 AromaticContact CZ-CG 3.95Å; F55-Y73 HydrophobicContact CZ-CG 3.95Å; F55-P188 HydrophobicContact CD1-CB 4.09Å; F55-P188 HydrophobicContact CE1-CB 4.06Å; F55-P188 HydrophobicContact CE1-CG 4.02Å; F55-P188 HydrophobicContact CE2-CG 4.27Å; F55-P188 HydrophobicContact CG-CB 4.33Å; F55-P188 HydrophobicContact CZ-CB 4.31Å; F55-P188 HydrophobicContact CZ-CG 3.88Å |
| 56 | L | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.8 | -50.9 | 174.2 | -71.4 | 169.2 | 0 | 0 | 0 | 110.5 | C27 L28 L31 L52 L53 A58 R59 D60 F61 L63 A66 | C27-L56 HydrophobicContact CB-CD1 4.31Å; C27-L56 HydrophobicContact CB-CD2 4.14Å; L28-L56 HydrophobicContact CB-CD1 4.22Å; L28-L56 HydrophobicContact CD1-CD1 4.21Å; L31-L56 HydrophobicContact CB-CD2 4.42Å; L31-L56 HydrophobicContact CD2-CD1 4.28Å; L31-L56 HydrophobicContact CD2-CD2 4.01Å; L31-L56 HydrophobicContact CD2-CG 3.74Å; L52-L56 PolarHBondContact O-N 3.19Å; L53-L56 HydrophobicContact CD2-CD1 4.16Å; L56-A58 PolarHBondContact O-N 3.15Å; L56-R59 CarbonylContact O-C 3.51Å; L56-R59 PolarHBondContact O-N 3.07Å; L56-R59 VanDerWaalsContact O-N 3.1Å; L56-D60 PolarHBondContact O-N 2.83Å; L56-D60 VanDerWaalsContact O-N 3.07Å; L56-F61 HydrophobicContact CB-CD1 4.02Å; L56-F61 HydrophobicContact CB-CE1 3.95Å; L56-F61 HydrophobicContact CB-CG 4.39Å; L56-F61 HydrophobicContact CB-CZ 4.27Å; L56-F61 HydrophobicContact CD1-CD1 4.38Å; L56-F61 HydrophobicContact CD1-CE1 4.08Å; L56-F61 HydrophobicContact CD2-CD1 4.4Å; L56-F61 PolarHBondContact O-N 3.09Å; L56-L63 HydrophobicContact CD2-CD1 4.39Å; L56-A66 HydrophobicContact CD2-CB 3.95Å |
| 57 | R | 97.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | -180 | -73.4 | 176.9 | -179.6 | 131.7 | 1.5 | 112.7 | N15 D19 L53 R59 D60 F61 Q150 K190 | N15-R57 VanDerWaalsContact OD1-CA 3.26Å; N15-R57 WeakPolarHBondContact OD1-CA 3.44Å; N15-R57 WeakPolarHBondContact OD1-CG 3.2Å; D19-R57 IonicContact OD1-CZ 2.96Å; D19-R57 IonicContact OD1-NH2 3.13Å; D19-R57 PolarHBondContact OD1-NH2 3.5Å; D19-R57 IonicContact OD2-CZ 3.86Å; D19-R57 IonicContact OD2-NH1 2.9Å; D19-R57 PolarHBondContact OD2-NH1 3.28Å; D19-R57 IonicContact OD2-NH2 3.94Å; D19-R57 PolarHBondContact OD2-NH2 3.3Å; L53-R57 VanDerWaalsContact O-CB 3.3Å; L53-R57 WeakPolarHBondContact O-CB 3.38Å; L53-R57 VanDerWaalsContact O-CG 3.31Å; L53-R57 WeakPolarHBondContact O-CG 3.42Å; L53-R57 PolarHBondContact O-N 3.19Å; R57-R59 PolarHBondContact O-N 3.03Å; R57-R59 VanDerWaalsContact O-N 3.12Å; R57-D60 PolarHBondContact O-N 3.26Å; R57-D60 VanDerWaalsContact O-N 3.14Å; R57-F61 HydrophobicContact CG-CE2 3.85Å; R57-F61 HydrophobicContact CG-CZ 4.29Å; R57-Q150 HydrophobicContact CB-CB 4.12Å; R57-K190 WeakPolarHBondContact O-CE 3.22Å; R57-K190 PolarHBondContact O-NZ 3.06Å |
| 58 | A | 96.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -21.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R54 F55 L56 L69 P188 | R54-A58 WeakPolarHBondContact O-CB 3.3Å; R54-A58 PolarHBondContact O-N 2.98Å; F55-A58 PolarHBondContact O-N 3.04Å; L56-A58 PolarHBondContact O-N 3.15Å; A58-L69 HydrophobicContact CB-CD2 3.71Å; A58-P188 HydrophobicContact CB-CB 4.19Å |
| 59 | R | 96.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 23.7 | 178.6 | -62.7 | -63.5 | 177.6 | -92.8 | 4.8 | 113.3 | F55 L56 R57 F61 D62 L65 A66 L69 T184 D185 | F55-R59 PolarHBondContact O-N 2.97Å; L56-R59 CarbonylContact O-C 3.51Å; L56-R59 PolarHBondContact O-N 3.07Å; L56-R59 VanDerWaalsContact O-N 3.1Å; R57-R59 PolarHBondContact O-N 3.03Å; R57-R59 VanDerWaalsContact O-N 3.12Å; R59-F61 PolarHBondContact O-N 3.29Å; R59-D62 VanDerWaalsContact O-CB 3.28Å; R59-D62 WeakPolarHBondContact O-CB 3.27Å; R59-D62 PolarHBondContact O-N 3.06Å; R59-L65 HydrophobicContact CB-CB 3.81Å; R59-L65 HydrophobicContact CG-CB 3.84Å; R59-A66 HydrophobicContact CB-CB 4.28Å; R59-L69 HydrophobicContact CG-CB 4.41Å; R59-L69 HydrophobicContact CG-CD2 4.09Å; R59-T184 PolarHBondContact NH2-O 3.39Å; R59-D185 IonicContact CZ-OD1 3.86Å; R59-D185 IonicContact NE-OD1 3.64Å; R59-D185 PolarHBondContact NE-OD1 2.94Å; R59-D185 IonicContact NH2-OD1 3.3Å; R59-D185 PolarHBondContact NH2-OD1 3.23Å |
| 60 | D | 94.6 | Very high | 95.9 | Very high | 62 Ų | 62 | 29.4 Ų | 29.4 | 33% | 0.332 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 41.8 | 175.4 | -53.3 | -41.4 | 0 | 0 | 0 | 112.3 | G11 N15 L56 R57 D62 K190 | G11-D60 CarbonylContact C-O 3.36Å; G11-D60 VanDerWaalsContact C-O 3.25Å; G11-D60 WeakPolarHBondContact CA-O 3.39Å; N15-D60 PolarHBondContact ND2-OD1 3.01Å; L56-D60 PolarHBondContact O-N 2.83Å; L56-D60 VanDerWaalsContact O-N 3.07Å; R57-D60 PolarHBondContact O-N 3.26Å; R57-D60 VanDerWaalsContact O-N 3.14Å; D60-D62 PolarHBondContact O-N 2.95Å; D60-D62 VanDerWaalsContact O-N 3.15Å; D60-K190 IonicContact OD1-NZ 3.73Å; D60-K190 PolarHBondContact OD1-NZ 3.48Å |
| 61 | F | 95.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.057 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 14.6 | -178 | -75.2 | -97.4 | 0 | 0 | 0 | 115.5 | L14 N15 V24 C27 L53 L56 R57 R59 L63 | L14-F61 HydrophobicContact CB-CB 4Å; L14-F61 HydrophobicContact CB-CD1 4.1Å; L14-F61 HydrophobicContact CB-CD2 3.61Å; L14-F61 HydrophobicContact CB-CE2 4.1Å; L14-F61 HydrophobicContact CB-CG 3.62Å; L14-F61 HydrophobicContact CD1-CB 3.67Å; L14-F61 HydrophobicContact CD1-CD1 4.15Å; L14-F61 HydrophobicContact CD1-CG 3.96Å; L14-F61 HydrophobicContact CG-CB 4.48Å; L14-F61 HydrophobicContact CG-CG 4.45Å; N15-F61 WeakPolarHBondContact OD1-CD2 3.46Å; N15-F61 WeakPolarHBondContact OD1-CE2 3.48Å; V24-F61 HydrophobicContact CB-CE1 4.37Å; V24-F61 HydrophobicContact CG1-CE1 3.86Å; V24-F61 HydrophobicContact CG1-CZ 4.07Å; V24-F61 HydrophobicContact CG2-CE1 4.18Å; V24-F61 HydrophobicContact CG2-CZ 4.09Å; C27-F61 HydrophobicContact CB-CD1 3.9Å; C27-F61 HydrophobicContact CB-CE1 4.45Å; L53-F61 HydrophobicContact CD2-CE1 4.26Å; L53-F61 HydrophobicContact CD2-CZ 4.07Å; L56-F61 HydrophobicContact CB-CD1 4.02Å; L56-F61 HydrophobicContact CB-CE1 3.95Å; L56-F61 HydrophobicContact CB-CG 4.39Å; L56-F61 HydrophobicContact CB-CZ 4.27Å; L56-F61 HydrophobicContact CD1-CD1 4.38Å; L56-F61 HydrophobicContact CD1-CE1 4.08Å; L56-F61 HydrophobicContact CD2-CD1 4.4Å; L56-F61 PolarHBondContact O-N 3.09Å; R57-F61 HydrophobicContact CG-CE2 3.85Å; R57-F61 HydrophobicContact CG-CZ 4.29Å; R59-F61 PolarHBondContact O-N 3.29Å; F61-L63 PolarHBondContact O-N 3.31Å |
| 62 | D | 95.5 | Very high | 96 | Very high | 70 Ų | 70 | 33.2 Ų | 33.2 | 37% | 0.374 | 16% | 0.157 | S | C | . | . | trans | -70.7 | 109.3 | 163.4 | -174.5 | -50.6 | 0 | 0 | 0 | 109.1 | R59 D60 D64 L65 A66 | R59-D62 VanDerWaalsContact O-CB 3.28Å; R59-D62 WeakPolarHBondContact O-CB 3.27Å; R59-D62 PolarHBondContact O-N 3.06Å; D60-D62 PolarHBondContact O-N 2.95Å; D60-D62 VanDerWaalsContact O-N 3.15Å; D62-D64 PolarHBondContact OD1-N 3.38Å; D62-D64 VanDerWaalsContact OD1-N 3.12Å; D62-L65 HydrophobicContact CB-CB 4.02Å; D62-L65 HydrophobicContact CB-CD1 3.91Å; D62-L65 HydrophobicContact CB-CG 4.11Å; D62-L65 VanDerWaalsContact CG-CG 3.47Å; D62-L65 PolarHBondContact O-N 3.37Å; D62-L65 WeakPolarHBondContact OD1-CB 3.13Å; D62-L65 WeakPolarHBondContact OD1-CG 3.27Å; D62-L65 PolarHBondContact OD1-N 2.95Å; D62-A66 WeakPolarHBondContact O-CB 3.45Å; D62-A66 PolarHBondContact O-N 3.23Å | ||
| 63 | L | 95.2 | Very high | 96 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 17% | 0.173 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -38.8 | -172.5 | -179.6 | 70.6 | 0 | 0 | 0 | 113 | E30 L31 L56 F61 A66 W67 | E30-L63 HydrophobicContact CB-CD1 4.31Å; E30-L63 HydrophobicContact CB-CD2 4.2Å; E30-L63 HydrophobicContact CG-CD1 3.94Å; E30-L63 HydrophobicContact CG-CD2 3.18Å; E30-L63 HydrophobicContact CG-CG 4.12Å; L31-L63 HydrophobicContact CB-CD1 3.81Å; L31-L63 HydrophobicContact CD1-CD1 4.45Å; L56-L63 HydrophobicContact CD2-CD1 4.39Å; F61-L63 PolarHBondContact O-N 3.31Å; L63-A66 PolarHBondContact O-N 3.24Å; L63-W67 VanDerWaalsContact O-CB 3.24Å; L63-W67 WeakPolarHBondContact O-CB 3.28Å; L63-W67 PolarHBondContact O-N 2.86Å |
| 64 | D | 96.4 | Very high | 95.7 | Very high | 103 Ų | 103 | 35 Ų | 35 | 55% | 0.551 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -70.7 | -41.4 | -179.5 | -69.7 | -31 | 0 | 0 | 0 | 110.6 | R34 D62 R68 | R34-D64 IonicContact CZ-OD1 2.68Å; R34-D64 IonicContact NH1-OD1 3.99Å; R34-D64 PolarHBondContact NH1-OD1 3.43Å; R34-D64 IonicContact NH2-OD1 2.72Å; R34-D64 PolarHBondContact NH2-OD1 2.99Å; R34-D64 VanDerWaalsContact NH2-OD1 3.12Å; D62-D64 PolarHBondContact OD1-N 3.38Å; D62-D64 VanDerWaalsContact OD1-N 3.12Å; D64-R68 WeakPolarHBondContact O-CB 3.39Å; D64-R68 PolarHBondContact O-N 2.72Å |
| 65 | L | 97.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 174 | -64.9 | -178.2 | 0 | 0 | 0 | 111.9 | R59 D62 R68 L69 | R59-L65 HydrophobicContact CB-CB 3.81Å; R59-L65 HydrophobicContact CG-CB 3.84Å; D62-L65 HydrophobicContact CB-CB 4.02Å; D62-L65 HydrophobicContact CB-CD1 3.91Å; D62-L65 HydrophobicContact CB-CG 4.11Å; D62-L65 VanDerWaalsContact CG-CG 3.47Å; D62-L65 PolarHBondContact O-N 3.37Å; D62-L65 WeakPolarHBondContact OD1-CB 3.13Å; D62-L65 WeakPolarHBondContact OD1-CG 3.27Å; D62-L65 PolarHBondContact OD1-N 2.95Å; L65-R68 PolarHBondContact O-N 3.16Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 PolarHBondContact O-N 3.04Å |
| 66 | A | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L31 F55 L56 R59 D62 L63 L69 L70 | L31-A66 HydrophobicContact CD2-CB 4.41Å; F55-A66 HydrophobicContact CB-CB 4.42Å; L56-A66 HydrophobicContact CD2-CB 3.95Å; R59-A66 HydrophobicContact CB-CB 4.28Å; D62-A66 WeakPolarHBondContact O-CB 3.45Å; D62-A66 PolarHBondContact O-N 3.23Å; L63-A66 PolarHBondContact O-N 3.24Å; A66-L69 PolarHBondContact O-N 2.87Å; A66-L70 PolarHBondContact O-N 3.16Å |
| 67 | W | 96.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 175 | 175.2 | -134.1 | 0 | 0 | 0 | 112.2 | L31 R34 V35 A38 V40 L63 L69 L70 K71 | L31-W67 HydrophobicContact CD1-CB 4Å; L31-W67 HydrophobicContact CD1-CE3 4.07Å; R34-W67 HydrophobicContact CB-CD2 4.24Å; R34-W67 HydrophobicContact CB-CE3 4.38Å; V35-W67 HydrophobicContact CB-CZ3 4.38Å; V35-W67 HydrophobicContact CG2-CZ3 3.94Å; A38-W67 HydrophobicContact CB-CH2 3.52Å; A38-W67 HydrophobicContact CB-CZ2 3.58Å; V40-W67 HydrophobicContact CG2-CH2 3.79Å; V40-W67 HydrophobicContact CG2-CZ3 4.28Å; L63-W67 VanDerWaalsContact O-CB 3.24Å; L63-W67 WeakPolarHBondContact O-CB 3.28Å; L63-W67 PolarHBondContact O-N 2.86Å; W67-L69 PolarHBondContact O-N 3.15Å; W67-L70 HydrophobicContact CE3-CB 4.3Å; W67-L70 HydrophobicContact CE3-CD2 4.01Å; W67-L70 HydrophobicContact CZ3-CD2 3.88Å; W67-L70 HydrophobicContact CZ3-CG 4.38Å; W67-L70 PolarHBondContact O-N 3.29Å; W67-K71 HydrophobicContact CD2-CD 4.35Å; W67-K71 HydrophobicContact CD2-CG 4.2Å; W67-K71 HydrophobicContact CE3-CG 4.3Å; W67-K71 HydrophobicContact CH2-CD 4.19Å; W67-K71 HydrophobicContact CH2-CG 3.85Å; W67-K71 HydrophobicContact CZ2-CD 3.6Å; W67-K71 HydrophobicContact CZ2-CG 3.77Å; W67-K71 HydrophobicContact CZ3-CG 4.12Å; W67-K71 PolarHBondContact O-N 3.01Å |
| 68 | R | 96.8 | Very high | 94.5 | Very high | 113 Ų | 113 | 44.1 Ų | 44.1 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 175.3 | -172.5 | 177.7 | 74.5 | -148.3 | -0.8 | 111.7 | D64 L65 L70 K71 N72 D185 | D64-R68 WeakPolarHBondContact O-CB 3.39Å; D64-R68 PolarHBondContact O-N 2.72Å; L65-R68 PolarHBondContact O-N 3.16Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.3Å; R68-K71 PolarHBondContact O-N 3.24Å; R68-N72 WeakPolarHBondContact O-CB 3.41Å; R68-N72 VanDerWaalsContact O-CG 3.24Å; R68-N72 PolarHBondContact O-N 3.39Å; R68-D185 IonicContact CZ-OD2 3.9Å; R68-D185 IonicContact NE-OD2 3.23Å; R68-D185 PolarHBondContact NE-OD2 3.2Å; R68-D185 IonicContact NH2-OD2 3.35Å; R68-D185 PolarHBondContact NH2-OD2 3.13Å |
| 69 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 177 | 175.6 | 63.3 | 0 | 0 | 0 | 111.7 | F55 A58 R59 L65 A66 W67 N72 Y73 D185 P188 | F55-L69 HydrophobicContact CD1-CB 4.32Å; F55-L69 HydrophobicContact CD1-CD2 3.9Å; F55-L69 HydrophobicContact CD1-CG 3.76Å; F55-L69 HydrophobicContact CE1-CG 4.22Å; A58-L69 HydrophobicContact CB-CD2 3.71Å; R59-L69 HydrophobicContact CG-CB 4.41Å; R59-L69 HydrophobicContact CG-CD2 4.09Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 PolarHBondContact O-N 3.04Å; A66-L69 PolarHBondContact O-N 2.87Å; W67-L69 PolarHBondContact O-N 3.15Å; L69-N72 PolarHBondContact O-N 3.15Å; L69-Y73 WeakPolarHBondContact O-CB 3.34Å; L69-Y73 PolarHBondContact O-N 2.94Å; L69-D185 VanDerWaalsContact CD1-C 3.44Å; L69-D185 WeakPolarHBondContact CD1-O 3.45Å; L69-P188 HydrophobicContact CD2-CB 4.2Å |
| 70 | L | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 177.9 | -177.5 | 61.5 | 0 | 0 | 0 | 112 | L31 V35 F51 L52 F55 A66 W67 R68 N72 Y73 Y74 | L31-L70 HydrophobicContact CD1-CD2 4.47Å; V35-L70 HydrophobicContact CG2-CD2 3.48Å; V35-L70 VanDerWaalsContact CG2-CD2 3.48Å; F51-L70 HydrophobicContact CE1-CD1 3.82Å; F51-L70 HydrophobicContact CZ-CD1 4.1Å; L52-L70 HydrophobicContact CD2-CD2 4.1Å; F55-L70 HydrophobicContact CD1-CB 3.75Å; F55-L70 HydrophobicContact CD1-CD1 3.89Å; F55-L70 HydrophobicContact CD1-CG 4.44Å; F55-L70 HydrophobicContact CD2-CD1 3.86Å; F55-L70 HydrophobicContact CE1-CB 4.06Å; F55-L70 HydrophobicContact CE1-CD1 3.57Å; F55-L70 HydrophobicContact CE1-CG 4.44Å; F55-L70 HydrophobicContact CE2-CD1 3.53Å; F55-L70 HydrophobicContact CG-CB 4.17Å; F55-L70 HydrophobicContact CG-CD1 4.05Å; F55-L70 HydrophobicContact CZ-CD1 3.37Å; A66-L70 PolarHBondContact O-N 3.16Å; W67-L70 HydrophobicContact CE3-CB 4.3Å; W67-L70 HydrophobicContact CE3-CD2 4.01Å; W67-L70 HydrophobicContact CZ3-CD2 3.88Å; W67-L70 HydrophobicContact CZ3-CG 4.38Å; W67-L70 PolarHBondContact O-N 3.29Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.3Å; L70-N72 VanDerWaalsContact C-N 3.33Å; L70-N72 PolarHBondContact O-N 2.98Å; L70-Y73 WeakPolarHBondContact O-CB 3.34Å; L70-Y73 PolarHBondContact O-N 2.96Å; L70-Y74 HydrophobicContact CD1-CD2 4.06Å; L70-Y74 HydrophobicContact CD1-CE2 3.49Å; L70-Y74 VanDerWaalsContact CD1-CE2 3.49Å; L70-Y74 HydrophobicContact CG-CD2 4.23Å; L70-Y74 HydrophobicContact CG-CE2 3.91Å; L70-Y74 VanDerWaalsContact O-CD2 3.27Å; L70-Y74 WeakPolarHBondContact O-CD2 3.12Å; L70-Y74 PolarHBondContact O-N 3.45Å |
| 71 | K | 93.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 47.7 Ų | 47.7 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.2 | -72.1 | -171.9 | -67.7 | -176.3 | 0 | 112 | W67 R68 Y73 Y74 K75 | W67-K71 HydrophobicContact CD2-CD 4.35Å; W67-K71 HydrophobicContact CD2-CG 4.2Å; W67-K71 HydrophobicContact CE3-CG 4.3Å; W67-K71 HydrophobicContact CH2-CD 4.19Å; W67-K71 HydrophobicContact CH2-CG 3.85Å; W67-K71 HydrophobicContact CZ2-CD 3.6Å; W67-K71 HydrophobicContact CZ2-CG 3.77Å; W67-K71 HydrophobicContact CZ3-CG 4.12Å; W67-K71 PolarHBondContact O-N 3.01Å; R68-K71 PolarHBondContact O-N 3.24Å; K71-Y73 VanDerWaalsContact C-N 3.33Å; K71-Y73 PolarHBondContact O-N 2.68Å; K71-Y74 PolarHBondContact O-N 3.35Å; K71-K75 VanDerWaalsContact O-CB 3.27Å; K71-K75 WeakPolarHBondContact O-CB 3.02Å; K71-K75 PolarHBondContact O-N 3.35Å |
| 72 | N | 95 | Very high | 93.3 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 179 | -70.5 | -11.1 | 0 | 0 | 0 | 112.3 | R68 L69 L70 K75 W76 D185 | R68-N72 WeakPolarHBondContact O-CB 3.41Å; R68-N72 VanDerWaalsContact O-CG 3.24Å; R68-N72 PolarHBondContact O-N 3.39Å; L69-N72 PolarHBondContact O-N 3.15Å; L70-N72 VanDerWaalsContact C-N 3.33Å; L70-N72 PolarHBondContact O-N 2.98Å; N72-K75 PolarHBondContact O-N 3.16Å; N72-W76 WeakPolarHBondContact O-CB 3.21Å; N72-W76 PolarHBondContact O-N 3.32Å; N72-D185 WeakPolarHBondContact CB-O 3.37Å; N72-D185 PolarHBondContact ND2-O 3.1Å; N72-D185 PolarHBondContact ND2-OD2 3.39Å |
| 73 | Y | 93.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -52.6 | 175 | 171.9 | -95.6 | 0 | 0 | 0 | 111.3 | F51 F55 L69 L70 K71 K75 W76 R77 E141 S186 F187 | F51-Y73 HydrophobicContact CE2-CE1 4.42Å; F51-Y73 HydrophobicContact CZ-CE1 4.26Å; F55-Y73 HydrophobicContact CE1-CD1 4.47Å; F55-Y73 HydrophobicContact CE1-CG 4.07Å; F55-Y73 AromaticContact CZ-CD1 3.99Å; F55-Y73 HydrophobicContact CZ-CD1 3.99Å; F55-Y73 HydrophobicContact CZ-CD2 4.44Å; F55-Y73 AromaticContact CZ-CG 3.95Å; F55-Y73 HydrophobicContact CZ-CG 3.95Å; L69-Y73 WeakPolarHBondContact O-CB 3.34Å; L69-Y73 PolarHBondContact O-N 2.94Å; L70-Y73 WeakPolarHBondContact O-CB 3.34Å; L70-Y73 PolarHBondContact O-N 2.96Å; K71-Y73 VanDerWaalsContact C-N 3.33Å; K71-Y73 PolarHBondContact O-N 2.68Å; Y73-K75 PolarHBondContact O-N 3.46Å; Y73-W76 PolarHBondContact O-N 2.83Å; Y73-R77 WeakPolarHBondContact O-CG 3.48Å; Y73-R77 PolarHBondContact O-N 3.31Å; Y73-R77 VanDerWaalsContact O-N 3.07Å; Y73-R77 PolarHBondContact OH-NH1 3.43Å; Y73-E141 PolarHBondContact OH-OE1 3.1Å; Y73-S186 WeakPolarHBondContact CA-O 3.25Å; Y73-F187 HydrophobicContact CD2-CD2 4.2Å; Y73-F187 AromaticContact CE2-CD2 3.98Å; Y73-F187 HydrophobicContact CE2-CD2 3.98Å; Y73-F187 AromaticContact CE2-CE2 3.92Å; Y73-F187 HydrophobicContact CE2-CE2 3.92Å |
| 74 | Y | 90.3 | Very high | 92.4 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 177.4 | -72.2 | -65.6 | 0 | 0 | 0 | 112.6 | V40 L46 L70 K71 W76 R77 A78 | V40-Y74 HydrophobicContact CG1-CD1 4.49Å; V40-Y74 HydrophobicContact CG1-CD2 3.36Å; V40-Y74 HydrophobicContact CG1-CE1 4.42Å; V40-Y74 HydrophobicContact CG1-CE2 3.25Å; V40-Y74 HydrophobicContact CG1-CG 4Å; L46-Y74 HydrophobicContact CD1-CE1 4.17Å; L46-Y74 HydrophobicContact CD2-CE1 4.15Å; L70-Y74 HydrophobicContact CD1-CD2 4.06Å; L70-Y74 HydrophobicContact CD1-CE2 3.49Å; L70-Y74 VanDerWaalsContact CD1-CE2 3.49Å; L70-Y74 HydrophobicContact CG-CD2 4.23Å; L70-Y74 HydrophobicContact CG-CE2 3.91Å; L70-Y74 VanDerWaalsContact O-CD2 3.27Å; L70-Y74 WeakPolarHBondContact O-CD2 3.12Å; L70-Y74 PolarHBondContact O-N 3.45Å; K71-Y74 PolarHBondContact O-N 3.35Å; Y74-W76 VanDerWaalsContact C-N 3.33Å; Y74-W76 PolarHBondContact O-N 3.4Å; Y74-R77 PolarHBondContact O-N 2.91Å; Y74-A78 WeakPolarHBondContact O-CB 3.48Å; Y74-A78 PolarHBondContact O-N 3.2Å |
| 75 | K | 91.6 | Very high | 91.9 | Very high | 119 Ų | 119 | 41 Ų | 41 | 52% | 0.517 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 176.1 | 179.2 | 178.7 | 176.3 | 178.3 | 0 | 111.4 | K71 N72 Y73 R77 A78 E79 | K71-K75 VanDerWaalsContact O-CB 3.27Å; K71-K75 WeakPolarHBondContact O-CB 3.02Å; K71-K75 PolarHBondContact O-N 3.35Å; N72-K75 PolarHBondContact O-N 3.16Å; Y73-K75 PolarHBondContact O-N 3.46Å; K75-R77 VanDerWaalsContact C-N 3.35Å; K75-R77 PolarHBondContact O-N 3.31Å; K75-A78 PolarHBondContact O-N 2.66Å; K75-E79 VanDerWaalsContact CE-CD 3.49Å; K75-E79 WeakPolarHBondContact CE-OE1 3.28Å; K75-E79 HydrophobicContact CG-CG 4.34Å; K75-E79 IonicContact NZ-OE1 2.66Å; K75-E79 WeakPolarHBondContact O-CB 3.46Å; K75-E79 WeakPolarHBondContact O-CG 3.5Å; K75-E79 PolarHBondContact O-N 2.99Å |
| 76 | W | 92.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | -179.2 | -178.7 | 89.7 | 0 | 0 | 0 | 111.5 | N72 Y73 Y74 E79 C80 L83 L137 K178 V182 | N72-W76 WeakPolarHBondContact O-CB 3.21Å; N72-W76 PolarHBondContact O-N 3.32Å; Y73-W76 PolarHBondContact O-N 2.83Å; Y74-W76 VanDerWaalsContact C-N 3.33Å; Y74-W76 PolarHBondContact O-N 3.4Å; W76-E79 PolarHBondContact O-N 2.95Å; W76-C80 HydrophobicContact CD2-CB 4.48Å; W76-C80 HydrophobicContact CZ2-CB 4.33Å; W76-C80 VanDerWaalsContact O-CB 3.24Å; W76-C80 WeakPolarHBondContact O-CB 3.21Å; W76-C80 PolarHBondContact O-N 3.15Å; W76-C80 PolarHBondContact O-SG 3.11Å; W76-L83 HydrophobicContact CH2-CB 4Å; W76-L83 HydrophobicContact CH2-CD1 3.91Å; W76-L83 HydrophobicContact CZ2-CD1 3.69Å; W76-L137 HydrophobicContact CH2-CD1 4.39Å; W76-L137 HydrophobicContact CH2-CD2 3.97Å; W76-L137 HydrophobicContact CZ3-CD1 4.13Å; W76-L137 HydrophobicContact CZ3-CD2 3.86Å; W76-K178 PolarHBondContact NE1-O 3.43Å; W76-V182 HydrophobicContact CD2-CG2 4.09Å; W76-V182 VanDerWaalsContact CE2-CG2 3.44Å; W76-V182 HydrophobicContact CH2-CG2 3.95Å; W76-V182 HydrophobicContact CZ2-CG2 3.37Å |
| 77 | R | 90.3 | Very high | 91.5 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 174.2 | -68.7 | 178.3 | 62.1 | 109.6 | 2.1 | 111.8 | Y73 Y74 K75 E79 C80 S84 E141 I273 E275 | Y73-R77 WeakPolarHBondContact O-CG 3.48Å; Y73-R77 PolarHBondContact O-N 3.31Å; Y73-R77 VanDerWaalsContact O-N 3.07Å; Y73-R77 PolarHBondContact OH-NH1 3.43Å; Y74-R77 PolarHBondContact O-N 2.91Å; K75-R77 VanDerWaalsContact C-N 3.35Å; K75-R77 PolarHBondContact O-N 3.31Å; R77-E79 VanDerWaalsContact C-N 3.33Å; R77-E79 PolarHBondContact O-N 3.2Å; R77-C80 CarbonylContact O-C 3.53Å; R77-C80 PolarHBondContact O-N 3.28Å; R77-S84 VanDerWaalsContact CA-OG 3.26Å; R77-S84 WeakPolarHBondContact CA-OG 3.38Å; R77-S84 PolarHBondContact NH2-O 2.73Å; R77-S84 PolarHBondContact O-OG 3.41Å; R77-E141 IonicContact NH1-OE1 3.04Å; R77-I273 PolarHBondContact NH2-O 2.7Å; R77-E275 IonicContact CZ-OE1 2.72Å; R77-E275 IonicContact NE-OE1 3.71Å; R77-E275 PolarHBondContact NE-OE1 2.88Å; R77-E275 IonicContact NH2-OE1 3.68Å; R77-E275 PolarHBondContact NH2-OE1 2.95Å |
| 78 | A | 89.1 | Confident | 91.4 | Very high | 73 Ų | 73 | 40.4 Ų | 40.4 | 60% | 0.603 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -64.2 | -34.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y74 K75 C80 | Y74-A78 WeakPolarHBondContact O-CB 3.48Å; Y74-A78 PolarHBondContact O-N 3.2Å; K75-A78 PolarHBondContact O-N 2.66Å; A78-C80 VanDerWaalsContact C-N 3.35Å |
| 79 | E | 89.6 | Confident | 91.3 | Very high | 110 Ų | 110 | 35 Ų | 35 | 51% | 0.514 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -83.1 | -9.7 | 177.5 | -71.7 | -178.7 | 171.3 | 0 | 0 | 113.7 | K75 W76 R77 P81 K178 | K75-E79 VanDerWaalsContact CE-CD 3.49Å; K75-E79 WeakPolarHBondContact CE-OE1 3.28Å; K75-E79 HydrophobicContact CG-CG 4.34Å; K75-E79 IonicContact NZ-OE1 2.66Å; K75-E79 WeakPolarHBondContact O-CB 3.46Å; K75-E79 WeakPolarHBondContact O-CG 3.5Å; K75-E79 PolarHBondContact O-N 2.99Å; W76-E79 PolarHBondContact O-N 2.95Å; R77-E79 VanDerWaalsContact C-N 3.33Å; R77-E79 PolarHBondContact O-N 3.2Å; E79-P81 VanDerWaalsContact C-CD 3.48Å; E79-K178 PolarHBondContact O-NZ 2.97Å |
| 80 | C | 89.4 | Confident | 91.2 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | trans | -134.4 | 50.2 | -177.3 | -46.4 | 0 | 0 | 0 | 0 | 112.3 | W76 R77 A78 E82 L83 S84 K178 | W76-C80 HydrophobicContact CD2-CB 4.48Å; W76-C80 HydrophobicContact CZ2-CB 4.33Å; W76-C80 VanDerWaalsContact O-CB 3.24Å; W76-C80 WeakPolarHBondContact O-CB 3.21Å; W76-C80 PolarHBondContact O-N 3.15Å; W76-C80 PolarHBondContact O-SG 3.11Å; R77-C80 CarbonylContact O-C 3.53Å; R77-C80 PolarHBondContact O-N 3.28Å; A78-C80 VanDerWaalsContact C-N 3.35Å; C80-E82 VanDerWaalsContact CA-OE2 3.3Å; C80-E82 WeakPolarHBondContact CA-OE2 3.41Å; C80-E82 PolarHBondContact O-N 3.27Å; C80-E82 VanDerWaalsContact O-N 3.13Å; C80-L83 HydrophobicContact CB-CB 4.3Å; C80-L83 HydrophobicContact CB-CD1 4.22Å; C80-L83 WeakPolarHBondContact O-CA 3.13Å; C80-L83 WeakPolarHBondContact O-CB 3.23Å; C80-L83 PolarHBondContact O-N 3.2Å; C80-S84 PolarHBondContact O-N 3.18Å; C80-S84 PolarHBondContact O-OG 2.97Å; C80-S84 VanDerWaalsContact O-OG 3.14Å; C80-K178 HydrophobicContact CB-CD 4.32Å; C80-K178 PolarHBondContact SG-NZ 3.1Å | ||
| 81 | P | 89.7 | Confident | 91 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 44% | 0.435 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.8 | -27.8 | -178.1 | 27.4 | -36 | 0 | 0 | 0 | 112.2 | E79 L83 S84 A85 | E79-P81 VanDerWaalsContact C-CD 3.48Å; P81-L83 PolarHBondContact O-N 3.32Å; P81-L83 VanDerWaalsContact O-N 3.14Å; P81-S84 PolarHBondContact O-N 2.93Å; P81-A85 HydrophobicContact CB-CB 4.29Å; P81-A85 WeakPolarHBondContact O-CB 3.18Å; P81-A85 PolarHBondContact O-N 2.86Å |
| 82 | E | 88.2 | Confident | 91.2 | Very high | 67 Ų | 67 | 39 Ų | 39 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.3 | -21.3 | 173.6 | 72.5 | -79.6 | -171.2 | 0 | 0 | 113.3 | C80 Y130 R134 K178 | C80-E82 VanDerWaalsContact CA-OE2 3.3Å; C80-E82 WeakPolarHBondContact CA-OE2 3.41Å; C80-E82 PolarHBondContact O-N 3.27Å; C80-E82 VanDerWaalsContact O-N 3.13Å; E82-Y130 HydrophobicContact CG-CD1 3.44Å; E82-Y130 VanDerWaalsContact CG-CD1 3.44Å; E82-Y130 HydrophobicContact CG-CE1 3.46Å; E82-Y130 VanDerWaalsContact CG-CE1 3.46Å; E82-Y130 HydrophobicContact CG-CG 4.09Å; E82-Y130 WeakPolarHBondContact OE1-CE1 3.33Å; E82-R134 PolarHBondContact O-NH2 3.15Å; E82-K178 WeakPolarHBondContact OE1-CE 3.38Å; E82-K178 IonicContact OE1-NZ 3.3Å; E82-K178 PolarHBondContact OE1-NZ 3.19Å; E82-K178 VanDerWaalsContact OE1-NZ 3.13Å |
| 83 | L | 85.5 | Confident | 91.3 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -102.4 | -44.6 | 175.9 | -68.6 | 175.3 | 0 | 0 | 0 | 112.8 | W76 C80 P81 Y130 F133 K178 | W76-L83 HydrophobicContact CH2-CB 4Å; W76-L83 HydrophobicContact CH2-CD1 3.91Å; W76-L83 HydrophobicContact CZ2-CD1 3.69Å; C80-L83 HydrophobicContact CB-CB 4.3Å; C80-L83 HydrophobicContact CB-CD1 4.22Å; C80-L83 WeakPolarHBondContact O-CA 3.13Å; C80-L83 WeakPolarHBondContact O-CB 3.23Å; C80-L83 PolarHBondContact O-N 3.2Å; P81-L83 PolarHBondContact O-N 3.32Å; P81-L83 VanDerWaalsContact O-N 3.14Å; L83-Y130 HydrophobicContact CD1-CD1 4.38Å; L83-Y130 HydrophobicContact CD2-CD1 3.76Å; L83-Y130 HydrophobicContact CD2-CG 4.33Å; L83-Y130 WeakPolarHBondContact CD2-O 3.27Å; L83-Y130 HydrophobicContact CG-CD1 3.93Å; L83-F133 HydrophobicContact CD1-CB 4.38Å; L83-F133 HydrophobicContact CD2-CB 3.57Å; L83-K178 HydrophobicContact CD1-CD 4.13Å |
| 84 | S | 85.8 | Confident | 91.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -100.4 | -17.5 | -164.8 | 58.2 | 0 | 0 | 0 | 0 | 115.5 | R77 C80 P81 | R77-S84 VanDerWaalsContact CA-OG 3.26Å; R77-S84 WeakPolarHBondContact CA-OG 3.38Å; R77-S84 PolarHBondContact NH2-O 2.73Å; R77-S84 PolarHBondContact O-OG 3.41Å; C80-S84 PolarHBondContact O-N 3.18Å; C80-S84 PolarHBondContact O-OG 2.97Å; C80-S84 VanDerWaalsContact O-OG 3.14Å; P81-S84 PolarHBondContact O-N 2.93Å |
| 85 | A | 86.7 | Confident | 91.9 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 5% | 0.05 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -70.3 | -47.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P81 S274 E275 I277 | P81-A85 HydrophobicContact CB-CB 4.29Å; P81-A85 WeakPolarHBondContact O-CB 3.18Å; P81-A85 PolarHBondContact O-N 2.86Å; A85-S274 CarbonylContact O-C 3.35Å; A85-S274 WeakPolarHBondContact O-CA 3.49Å; A85-S274 VanDerWaalsContact O-CB 3.23Å; A85-S274 WeakPolarHBondContact O-CB 3.2Å; A85-E275 PolarHBondContact O-N 3.08Å; A85-I277 HydrophobicContact CB-CD1 3.78Å; A85-I277 HydrophobicContact CB-CG1 3.82Å |
| 86 | D | 91.2 | Very high | 92.3 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | trans | -113.4 | 108.1 | 177.8 | -174.8 | 11.7 | 0 | 0 | 0 | 110.4 | H88 R90 R134 | D86-H88 WeakPolarHBondContact OD1-CB 3.43Å; D86-H88 PolarHBondContact OD1-N 3.35Å; D86-R90 IonicContact OD1-CZ 3.81Å; D86-R90 IonicContact OD1-NH1 2.7Å; D86-R90 IonicContact OD1-NH2 3.52Å; D86-R90 PolarHBondContact OD1-NH2 3.02Å; D86-R90 IonicContact OD2-CZ 3.83Å; D86-R90 IonicContact OD2-NH1 3.12Å; D86-R90 PolarHBondContact OD2-NH1 3.36Å; D86-R90 IonicContact OD2-NH2 3.27Å; D86-R90 PolarHBondContact OD2-NH2 2.59Å; D86-R134 VanDerWaalsContact O-CD 3.27Å; D86-R134 WeakPolarHBondContact O-CD 3.48Å | ||
| 87 | L | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -98.9 | 5.1 | 176 | -59.6 | 179.4 | 0 | 0 | 0 | 112.5 | L137 I138 E141 L270 I273 S274 | L87-L137 HydrophobicContact CD2-CD2 3.63Å; L87-L137 HydrophobicContact CD2-CG 3.91Å; L87-I138 HydrophobicContact CB-CG1 4.23Å; L87-I138 HydrophobicContact CD2-CG1 4.31Å; L87-I138 WeakPolarHBondContact O-CD1 3.03Å; L87-I138 WeakPolarHBondContact O-CG1 3.08Å; L87-E141 HydrophobicContact CD1-CG 4.14Å; L87-L270 HydrophobicContact CB-CB 4.38Å; L87-L270 HydrophobicContact CB-CD2 4.45Å; L87-I273 HydrophobicContact CD1-CD1 3.77Å; L87-I273 HydrophobicContact CD1-CG1 3.96Å; L87-S274 WeakPolarHBondContact CB-OG 3.22Å; L87-S274 PolarHBondContact N-OG 3.19Å | ||
| 88 | H | 94.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | trans | -62.7 | 132.2 | 174.7 | -170.1 | -46.6 | 0 | 0 | 0 | 109.7 | D86 R90 E267 | D86-H88 WeakPolarHBondContact OD1-CB 3.43Å; D86-H88 PolarHBondContact OD1-N 3.35Å; H88-R90 HydrophobicContact CB-CG 4.28Å; H88-R90 PolarHBondContact CD2-NE 2.96Å; H88-R90 WeakPolarHBondContact ND1-CB 3.41Å; H88-R90 PolarHBondContact ND1-N 3.1Å; H88-R90 VanDerWaalsContact ND1-N 3.14Å; H88-R90 PolarHBondContact O-N 3.26Å; H88-E267 IonicContact CE1-OE2 3.19Å | ||
| 89 | P | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -68.4 | -5 | -174.1 | 26 | -36.6 | 0 | 0 | 0 | 115 | S91 V92 I93 I263 M264 E267 L270 | P89-S91 PolarHBondContact O-N 3.05Å; P89-V92 CarbonylContact O-C 3.57Å; P89-V92 WeakPolarHBondContact O-CG2 3.39Å; P89-V92 PolarHBondContact O-N 3.29Å; P89-I93 PolarHBondContact O-N 3.4Å; P89-I263 HydrophobicContact CB-CG2 3.48Å; P89-I263 VanDerWaalsContact CB-CG2 3.48Å; P89-I263 HydrophobicContact CG-CG2 3.94Å; P89-M264 HydrophobicContact CB-SD 4.07Å; P89-M264 HydrophobicContact CG-SD 3.83Å; P89-E267 HydrophobicContact CG-CB 4.07Å; P89-L270 HydrophobicContact CG-CD1 4.46Å |
| 90 | R | 95 | Very high | 93.8 | Very high | 140 Ų | 140 | 33.6 Ų | 33.6 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -60.3 | -32.9 | -174.9 | 63.2 | -178 | 129.6 | 75 | 11.5 | 112.7 | D86 H88 V92 | D86-R90 IonicContact OD1-CZ 3.81Å; D86-R90 IonicContact OD1-NH1 2.7Å; D86-R90 IonicContact OD1-NH2 3.52Å; D86-R90 PolarHBondContact OD1-NH2 3.02Å; D86-R90 IonicContact OD2-CZ 3.83Å; D86-R90 IonicContact OD2-NH1 3.12Å; D86-R90 PolarHBondContact OD2-NH1 3.36Å; D86-R90 IonicContact OD2-NH2 3.27Å; D86-R90 PolarHBondContact OD2-NH2 2.59Å; H88-R90 HydrophobicContact CB-CG 4.28Å; H88-R90 PolarHBondContact CD2-NE 2.96Å; H88-R90 WeakPolarHBondContact ND1-CB 3.41Å; H88-R90 PolarHBondContact ND1-N 3.1Å; H88-R90 VanDerWaalsContact ND1-N 3.14Å; H88-R90 PolarHBondContact O-N 3.26Å; R90-V92 VanDerWaalsContact C-N 3.29Å; R90-V92 PolarHBondContact O-N 3.32Å |
| 91 | S | 91.8 | Very high | 94.2 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 31% | 0.308 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -72.3 | -22.4 | 178.7 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | P89 R134 | P89-S91 PolarHBondContact O-N 3.05Å; S91-R134 PolarHBondContact OG-NH1 3.09Å |
| 92 | V | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 3.8 | -173 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | P89 R90 G94 L95 L96 D131 R134 V135 I138 | P89-V92 CarbonylContact O-C 3.57Å; P89-V92 WeakPolarHBondContact O-CG2 3.39Å; P89-V92 PolarHBondContact O-N 3.29Å; R90-V92 VanDerWaalsContact C-N 3.29Å; R90-V92 PolarHBondContact O-N 3.32Å; V92-G94 VanDerWaalsContact C-N 3.26Å; V92-G94 PolarHBondContact O-N 3.29Å; V92-L95 WeakPolarHBondContact O-CB 3.4Å; V92-L95 PolarHBondContact O-N 3.06Å; V92-L96 HydrophobicContact CG2-CD1 4.41Å; V92-L96 PolarHBondContact O-N 3.17Å; V92-D131 HydrophobicContact CG1-CB 4.14Å; V92-D131 WeakPolarHBondContact CG1-O 3.44Å; V92-R134 HydrophobicContact CG1-CB 4.28Å; V92-V135 HydrophobicContact CB-CG2 3.75Å; V92-V135 HydrophobicContact CG1-CG2 4.1Å; V92-V135 HydrophobicContact CG2-CG2 3.92Å; V92-I138 HydrophobicContact CG2-CD1 3.91Å |
| 93 | I | 97.7 | Very high | 95.2 | Very high | 40 Ų | 40 | 27.3 Ų | 27.3 | 21% | 0.205 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -34 | -175.9 | -171.3 | 52.1 | 0 | 0 | 0 | 113 | P89 L95 L96 K97 T260 M264 | P89-I93 PolarHBondContact O-N 3.4Å; I93-L95 VanDerWaalsContact C-N 3.32Å; I93-L95 PolarHBondContact O-N 3.3Å; I93-L96 HydrophobicContact CD1-CB 4.38Å; I93-L96 HydrophobicContact CD1-CD1 4.28Å; I93-L96 PolarHBondContact O-N 3.16Å; I93-K97 HydrophobicContact CD1-CG 4.3Å; I93-K97 HydrophobicContact CG1-CD 4.3Å; I93-K97 HydrophobicContact CG1-CG 4.44Å; I93-K97 WeakPolarHBondContact O-CB 3.33Å; I93-K97 WeakPolarHBondContact O-CG 3.29Å; I93-K97 PolarHBondContact O-N 3Å; I93-T260 HydrophobicContact CD1-CG2 3.86Å; I93-M264 HydrophobicContact CD1-CG 3.94Å; I93-M264 HydrophobicContact CD1-SD 3.46Å; I93-M264 WeakPolarHBondContact CD1-SD 3.37Å; I93-M264 HydrophobicContact CG1-SD 4.09Å |
| 94 | G | 98.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 27.1 Ų | 27.1 | 37% | 0.371 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.6 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V92 K97 A98 | V92-G94 VanDerWaalsContact C-N 3.26Å; V92-G94 PolarHBondContact O-N 3.29Å; G94-K97 PolarHBondContact O-N 2.8Å; G94-A98 WeakPolarHBondContact O-CB 3.28Å; G94-A98 PolarHBondContact O-N 2.7Å |
| 95 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.8 | -39.9 | 177 | -175.8 | 61.2 | 0 | 0 | 0 | 111.4 | V92 I93 A98 Y100 W122 F127 V132 V135 | V92-L95 WeakPolarHBondContact O-CB 3.4Å; V92-L95 PolarHBondContact O-N 3.06Å; I93-L95 VanDerWaalsContact C-N 3.32Å; I93-L95 PolarHBondContact O-N 3.3Å; L95-A98 WeakPolarHBondContact O-CB 3.19Å; L95-A98 PolarHBondContact O-N 3.38Å; L95-Y100 HydrophobicContact CD1-CD1 4.21Å; L95-Y100 HydrophobicContact CD1-CD2 4.19Å; L95-Y100 HydrophobicContact CD1-CG 3.72Å; L95-Y100 HydrophobicContact CD2-CD1 3.87Å; L95-Y100 HydrophobicContact CD2-CE1 4.34Å; L95-Y100 HydrophobicContact CD2-CG 4.24Å; L95-Y100 HydrophobicContact CG-CD1 3.84Å; L95-Y100 HydrophobicContact CG-CG 3.84Å; L95-Y100 VanDerWaalsContact O-CB 3.29Å; L95-Y100 WeakPolarHBondContact O-CB 3.43Å; L95-Y100 PolarHBondContact O-N 2.89Å; L95-W122 HydrophobicContact CD1-CB 4.22Å; L95-F127 HydrophobicContact CB-CD1 4.13Å; L95-F127 HydrophobicContact CB-CD2 3.89Å; L95-F127 HydrophobicContact CB-CE1 4.03Å; L95-F127 HydrophobicContact CB-CE2 3.78Å; L95-F127 HydrophobicContact CB-CG 4.07Å; L95-F127 HydrophobicContact CB-CZ 3.86Å; L95-F127 HydrophobicContact CD1-CD2 3.9Å; L95-F127 HydrophobicContact CD1-CE2 4.37Å; L95-F127 HydrophobicContact CD1-CG 4.36Å; L95-F127 HydrophobicContact CD2-CG 4.39Å; L95-F127 HydrophobicContact CG-CD2 4.37Å; L95-V132 HydrophobicContact CD2-CB 4.47Å; L95-V132 HydrophobicContact CD2-CG2 3.82Å; L95-V135 HydrophobicContact CD2-CG2 3.85Å |
| 96 | L | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 173.5 | -66.2 | 175.4 | 0 | 0 | 0 | 111.3 | V92 I93 A98 G99 V135 T260 I263 | V92-L96 HydrophobicContact CG2-CD1 4.41Å; V92-L96 PolarHBondContact O-N 3.17Å; I93-L96 HydrophobicContact CD1-CB 4.38Å; I93-L96 HydrophobicContact CD1-CD1 4.28Å; I93-L96 PolarHBondContact O-N 3.16Å; L96-A98 PolarHBondContact O-N 3.37Å; L96-G99 PolarHBondContact O-N 3.01Å; L96-V135 HydrophobicContact CD2-CG1 3.87Å; L96-V135 HydrophobicContact CD2-CG2 4.3Å; L96-T260 HydrophobicContact CB-CG2 3.92Å; L96-T260 HydrophobicContact CD1-CG2 4.49Å; L96-I263 HydrophobicContact CD1-CB 4.4Å; L96-I263 HydrophobicContact CD1-CD1 3.93Å; L96-I263 HydrophobicContact CD1-CG2 3.95Å; L96-I263 HydrophobicContact CD2-CD1 3.86Å |
| 97 | K | 98.2 | Very high | 97.3 | Very high | 160 Ų | 160 | 36.5 Ų | 36.5 | 70% | 0.696 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.8 | -26.7 | 176.6 | -74.3 | -179.2 | 175.8 | -176.9 | 0 | 113.5 | I93 G94 G99 | I93-K97 HydrophobicContact CD1-CG 4.3Å; I93-K97 HydrophobicContact CG1-CD 4.3Å; I93-K97 HydrophobicContact CG1-CG 4.44Å; I93-K97 WeakPolarHBondContact O-CB 3.33Å; I93-K97 WeakPolarHBondContact O-CG 3.29Å; I93-K97 PolarHBondContact O-N 3Å; G94-K97 PolarHBondContact O-N 2.8Å; K97-G99 PolarHBondContact O-N 3.15Å |
| 98 | A | 98.4 | Very high | 97.6 | Very high | 47 Ų | 47 | 37 Ų | 37 | 39% | 0.388 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G94 L95 L96 H121 | G94-A98 WeakPolarHBondContact O-CB 3.28Å; G94-A98 PolarHBondContact O-N 2.7Å; L95-A98 WeakPolarHBondContact O-CB 3.19Å; L95-A98 PolarHBondContact O-N 3.38Å; L96-A98 PolarHBondContact O-N 3.37Å; A98-H121 PolarHBondContact O-ND1 2.91Å |
| 99 | G | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 23.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L96 K97 H101 R118 C256 | L96-G99 PolarHBondContact O-N 3.01Å; K97-G99 PolarHBondContact O-N 3.15Å; G99-H101 VanDerWaalsContact C-N 3.32Å; G99-H101 PolarHBondContact O-N 2.86Å; G99-R118 PolarHBondContact O-NE 2.75Å; G99-R118 PolarHBondContact O-NH2 2.95Å; G99-C256 PolarHBondContact O-SG 3.26Å |
| 100 | Y | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | trans | -62.7 | -36.2 | 179.8 | 173.3 | -108.9 | 0 | 0 | 0 | 113.4 | L95 Y117 R118 W122 V132 V135 | L95-Y100 HydrophobicContact CD1-CD1 4.21Å; L95-Y100 HydrophobicContact CD1-CD2 4.19Å; L95-Y100 HydrophobicContact CD1-CG 3.72Å; L95-Y100 HydrophobicContact CD2-CD1 3.87Å; L95-Y100 HydrophobicContact CD2-CE1 4.34Å; L95-Y100 HydrophobicContact CD2-CG 4.24Å; L95-Y100 HydrophobicContact CG-CD1 3.84Å; L95-Y100 HydrophobicContact CG-CG 3.84Å; L95-Y100 VanDerWaalsContact O-CB 3.29Å; L95-Y100 WeakPolarHBondContact O-CB 3.43Å; L95-Y100 PolarHBondContact O-N 2.89Å; Y100-Y117 HydrophobicContact CD1-CD1 4.44Å; Y100-Y117 AromaticContact CE1-CD1 3.63Å; Y100-Y117 HydrophobicContact CE1-CD1 3.63Å; Y100-Y117 HydrophobicContact CE1-CE1 4.27Å; Y100-Y117 AromaticContact CZ-CD1 3.81Å; Y100-Y117 CarbonylContact O-C 3.53Å; Y100-Y117 WeakPolarHBondContact O-CA 3.31Å; Y100-R118 VanDerWaalsContact CD2-O 3.26Å; Y100-R118 WeakPolarHBondContact CD2-O 3.3Å; Y100-R118 PolarHBondContact O-N 3.45Å; Y100-W122 HydrophobicContact CD2-CB 3.94Å; Y100-W122 HydrophobicContact CE2-CB 4.09Å; Y100-V132 HydrophobicContact CE1-CG1 3.88Å; Y100-V132 HydrophobicContact CE2-CG1 4.38Å; Y100-V132 WeakPolarHBondContact OH-CG1 3.29Å; Y100-V135 HydrophobicContact CD1-CG1 4.3Å; Y100-V135 HydrophobicContact CE1-CG1 4.4Å | ||
| 101 | H | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 139.7 | -167.9 | 176.3 | 50.5 | 0 | 0 | 0 | 112.6 | G99 I116 Y117 V135 T139 C256 W259 | G99-H101 VanDerWaalsContact C-N 3.32Å; G99-H101 PolarHBondContact O-N 2.86Å; H101-I116 WeakPolarHBondContact CA-O 3.3Å; H101-I116 PolarHBondContact ND1-O 3Å; H101-Y117 HydrophobicContact CB-CD1 4.1Å; H101-Y117 HydrophobicContact CB-CE1 4.28Å; H101-Y117 AromaticContact CE1-CE1 3.75Å; H101-Y117 AromaticContact CE1-CZ 3.77Å; H101-Y117 AromaticContact CG-CD1 3.94Å; H101-Y117 AromaticContact CG-CE1 3.71Å; H101-Y117 AromaticContact ND1-CD1 3.48Å; H101-Y117 WeakPolarHBondContact ND1-CD1 3.29Å; H101-Y117 AromaticContact ND1-CE1 3.25Å; H101-Y117 WeakPolarHBondContact ND1-CE1 2.94Å; H101-Y117 AromaticContact ND1-CZ 3.68Å; H101-V135 HydrophobicContact CB-CG1 3.81Å; H101-T139 PolarHBondContact CD2-OG1 3.06Å; H101-T139 WeakPolarHBondContact NE2-CG2 3.45Å; H101-T139 PolarHBondContact NE2-OG1 2.96Å; H101-C256 VanDerWaalsContact C-SG 3.59Å; H101-C256 PolarHBondContact O-SG 3.41Å; H101-W259 AromaticContact CD2-CD1 3.46Å; H101-W259 VanDerWaalsContact CD2-CD1 3.46Å; H101-W259 AromaticContact CD2-NE1 3.61Å; H101-W259 AromaticContact NE2-CD1 3.41Å; H101-W259 AromaticContact NE2-NE1 3.2Å; H101-W259 PolarHBondContact NE2-NE1 3.47Å |
| 102 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 163.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I116 | G102-I116 PolarHBondContact N-O 3.28Å; G102-I116 PolarHBondContact O-N 3.08Å |
| 103 | V | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.8 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | R113 L115 T139 W259 | V103-R113 HydrophobicContact CG1-CG 3.91Å; V103-R113 VanDerWaalsContact CG1-NE 3.28Å; V103-L115 HydrophobicContact CG2-CD2 4.19Å; V103-L115 HydrophobicContact CG2-CG 4.43Å; V103-T139 HydrophobicContact CG2-CG2 3.93Å; V103-W259 HydrophobicContact CB-CD2 3.71Å; V103-W259 HydrophobicContact CB-CE3 3.79Å; V103-W259 HydrophobicContact CB-CG 4.12Å; V103-W259 HydrophobicContact CB-CZ3 4.21Å; V103-W259 HydrophobicContact CG1-CE3 4.48Å; V103-W259 HydrophobicContact CG1-CZ3 4.46Å; V103-W259 HydrophobicContact CG2-CD2 3.51Å; V103-W259 HydrophobicContact CG2-CE3 4.04Å; V103-W259 HydrophobicContact CG2-CG 3.87Å; V103-W259 HydrophobicContact CG2-CH2 4.32Å; V103-W259 HydrophobicContact CG2-CZ2 3.84Å; V103-W259 HydrophobicContact CG2-CZ3 4.4Å |
| 104 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -63.5 | 144.6 | -178.2 | -59.6 | -174 | 0 | 0 | 0 | 110.7 | R113 V114 I116 I240 L241 F250 I255 | L104-R113 PolarHBondContact O-NH1 2.96Å; L104-R113 PolarHBondContact O-NH2 2.82Å; L104-V114 HydrophobicContact CB-CB 4.22Å; L104-V114 HydrophobicContact CD1-CB 3.64Å; L104-V114 HydrophobicContact CD1-CG1 3.49Å; L104-V114 VanDerWaalsContact CD1-CG1 3.49Å; L104-V114 HydrophobicContact CD1-CG2 4.35Å; L104-V114 HydrophobicContact CG-CB 3.98Å; L104-V114 HydrophobicContact CG-CG1 4.04Å; L104-V114 PolarHBondContact N-O 3.07Å; L104-I116 HydrophobicContact CD2-CD1 3.71Å; L104-I116 HydrophobicContact CD2-CG1 4.36Å; L104-I116 HydrophobicContact CG-CD1 4.25Å; L104-I240 HydrophobicContact CD1-CD1 4.09Å; L104-I240 HydrophobicContact CD1-CG1 4.16Å; L104-I240 WeakPolarHBondContact CD1-O 3.2Å; L104-L241 HydrophobicContact CD1-CD2 4.29Å; L104-F250 HydrophobicContact CD2-CE2 3.97Å; L104-F250 HydrophobicContact CD2-CZ 4.13Å; L104-I255 HydrophobicContact CD2-CD1 3.61Å | ||
| 105 | R | 98.2 | Very high | 98.5 | Very high | 118 Ų | 118 | 33.8 Ų | 33.8 | 45% | 0.445 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -62.4 | -49.2 | 176 | -61.2 | 178.7 | -172.8 | 150.8 | 1.7 | 110.3 | R113 E258 | R105-R113 PolarHBondContact O-NH1 3.14Å; R105-E258 IonicContact CZ-OE1 3.29Å; R105-E258 VanDerWaalsContact CZ-OE1 3.29Å; R105-E258 IonicContact CZ-OE2 3.64Å; R105-E258 IonicContact NE-OE1 3.26Å; R105-E258 PolarHBondContact NE-OE1 3.3Å; R105-E258 IonicContact NE-OE2 2.84Å; R105-E258 PolarHBondContact NE-OE2 3.38Å; R105-E258 IonicContact NH2-OE1 2.62Å; R105-E258 PolarHBondContact NH2-OE1 2.72Å; R105-E258 IonicContact NH2-OE2 3.59Å |
| 106 | S | 98.4 | Very high | 98.6 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 42% | 0.42 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -85.1 | 155.3 | 179.9 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 107 | R | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 34 Ų | 34 | 25% | 0.249 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -87.5 | 159.9 | 170.3 | -68.9 | 169.6 | 179.2 | -69 | -12.5 | 109.7 | G111 S112 E146 T149 | R107-G111 VanDerWaalsContact CD-O 3.26Å; R107-G111 WeakPolarHBondContact CD-O 3.48Å; R107-G111 PolarHBondContact NH1-O 3.34Å; R107-S112 WeakPolarHBondContact CA-O 2.85Å; R107-S112 WeakPolarHBondContact CB-O 3.26Å; R107-E146 IonicContact CZ-OE2 2.76Å; R107-E146 IonicContact NH2-OE2 3.83Å; R107-E146 PolarHBondContact NH2-OE2 3.32Å; R107-T149 PolarHBondContact NH1-OG1 3.03Å; R107-T149 PolarHBondContact NH2-OG1 3.47Å |
| 108 | D | 98.6 | Very high | 98.6 | Very high | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 173.5 | 171.8 | 94.5 | -34.8 | 0 | 0 | 0 | 112.1 | T110 G111 S112 V114 K155 F237 I240 | D108-T110 VanDerWaalsContact CG-OG1 3.27Å; D108-T110 PolarHBondContact O-N 2.91Å; D108-T110 WeakPolarHBondContact OD1-CA 3.48Å; D108-T110 PolarHBondContact OD1-N 3.22Å; D108-T110 PolarHBondContact OD1-OG1 3.22Å; D108-T110 PolarHBondContact OD2-OG1 3.39Å; D108-T110 VanDerWaalsContact OD2-OG1 3.06Å; D108-G111 PolarHBondContact O-N 2.94Å; D108-G111 PolarHBondContact OD1-N 2.89Å; D108-G111 VanDerWaalsContact OD1-N 3.13Å; D108-S112 PolarHBondContact N-O 3.1Å; D108-S112 VanDerWaalsContact N-O 3.09Å; D108-S112 WeakPolarHBondContact OD1-CA 3.28Å; D108-S112 VanDerWaalsContact OD1-CB 3.24Å; D108-S112 WeakPolarHBondContact OD1-CB 3.5Å; D108-S112 PolarHBondContact OD1-N 3.12Å; D108-S112 PolarHBondContact OD1-OG 3.25Å; D108-V114 HydrophobicContact CB-CG2 3.94Å; D108-K155 IonicContact OD1-NZ 3.75Å; D108-K155 WeakPolarHBondContact OD2-CE 3.29Å; D108-K155 IonicContact OD2-NZ 2.95Å; D108-K155 PolarHBondContact OD2-NZ 2.64Å; D108-F237 HydrophobicContact CB-CD1 3.98Å; D108-F237 HydrophobicContact CB-CE1 4.24Å; D108-I240 HydrophobicContact CB-CD1 4.16Å |
| 109 | P | 98.4 | Very high | 98.6 | Very high | 97 Ų | 97 | 26.2 Ų | 26.2 | 63% | 0.63 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -17.5 | -179.8 | -27.7 | 36.3 | 0 | 0 | 0 | 115.2 | P238 | P109-P238 HydrophobicContact CG-CG 3.7Š|
| 110 | T | 97.9 | Very high | 98.6 | Very high | 81 Ų | 81 | 28.9 Ų | 28.9 | 50% | 0.497 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 4.2 | 176.6 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | D108 S112 N152 K155 | D108-T110 VanDerWaalsContact CG-OG1 3.27Å; D108-T110 PolarHBondContact O-N 2.91Å; D108-T110 WeakPolarHBondContact OD1-CA 3.48Å; D108-T110 PolarHBondContact OD1-N 3.22Å; D108-T110 PolarHBondContact OD1-OG1 3.22Å; D108-T110 PolarHBondContact OD2-OG1 3.39Å; D108-T110 VanDerWaalsContact OD2-OG1 3.06Å; T110-S112 VanDerWaalsContact C-N 3.31Å; T110-S112 PolarHBondContact OG1-OG 3.41Å; T110-S112 VanDerWaalsContact OG1-OG 3.05Å; T110-N152 WeakPolarHBondContact O-CB 3.49Å; T110-K155 PolarHBondContact OG1-NZ 2.89Å |
| 111 | G | 98.2 | Very high | 98.6 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | trans | 79.5 | 8.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | R107 D108 N152 | R107-G111 VanDerWaalsContact CD-O 3.26Å; R107-G111 WeakPolarHBondContact CD-O 3.48Å; R107-G111 PolarHBondContact NH1-O 3.34Å; D108-G111 PolarHBondContact O-N 2.94Å; D108-G111 PolarHBondContact OD1-N 2.89Å; D108-G111 VanDerWaalsContact OD1-N 3.13Å; G111-N152 VanDerWaalsContact C-CB 3.46Å; G111-N152 VanDerWaalsContact O-CB 3.29Å; G111-N152 WeakPolarHBondContact O-CB 3.48Å | ||
| 112 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -69.8 | 139.4 | 179 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | R107 D108 T110 G153 K155 | R107-S112 WeakPolarHBondContact CA-O 2.85Å; R107-S112 WeakPolarHBondContact CB-O 3.26Å; D108-S112 PolarHBondContact N-O 3.1Å; D108-S112 VanDerWaalsContact N-O 3.09Å; D108-S112 WeakPolarHBondContact OD1-CA 3.28Å; D108-S112 VanDerWaalsContact OD1-CB 3.24Å; D108-S112 WeakPolarHBondContact OD1-CB 3.5Å; D108-S112 PolarHBondContact OD1-N 3.12Å; D108-S112 PolarHBondContact OD1-OG 3.25Å; T110-S112 VanDerWaalsContact C-N 3.31Å; T110-S112 PolarHBondContact OG1-OG 3.41Å; T110-S112 VanDerWaalsContact OG1-OG 3.05Å; S112-G153 VanDerWaalsContact CA-O 3.28Å; S112-G153 WeakPolarHBondContact CA-O 3.15Å; S112-K155 PolarHBondContact OG-NZ 3.37Å | ||
| 113 | R | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 11% | 0.109 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.9 | 167.4 | -163.2 | 71.1 | 176.7 | 145.5 | 5.2 | 108.9 | V103 L104 R105 I143 E146 T149 G153 V154 K155 | V103-R113 HydrophobicContact CG1-CG 3.91Å; V103-R113 VanDerWaalsContact CG1-NE 3.28Å; L104-R113 PolarHBondContact O-NH1 2.96Å; L104-R113 PolarHBondContact O-NH2 2.82Å; R105-R113 PolarHBondContact O-NH1 3.14Å; R113-I143 HydrophobicContact CG-CB 4.43Å; R113-I143 HydrophobicContact CG-CD1 4.41Å; R113-I143 HydrophobicContact CG-CG2 4.25Å; R113-E146 IonicContact NE-OE1 3.41Å; R113-E146 IonicContact NE-OE2 3.81Å; R113-T149 HydrophobicContact CB-CG2 4.08Å; R113-G153 PolarHBondContact N-O 3.11Å; R113-V154 HydrophobicContact CB-CG1 4.26Å; R113-V154 CarbonylContact O-C 3.55Å; R113-V154 VanDerWaalsContact O-CA 3.25Å; R113-V154 WeakPolarHBondContact O-CA 3.48Å; R113-K155 PolarHBondContact O-N 2.8Å |
| 114 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.8 | -175.4 | -174 | 0 | 0 | 0 | 0 | 110.4 | L104 D108 K155 I157 F237 I240 | L104-V114 HydrophobicContact CB-CB 4.22Å; L104-V114 HydrophobicContact CD1-CB 3.64Å; L104-V114 HydrophobicContact CD1-CG1 3.49Å; L104-V114 VanDerWaalsContact CD1-CG1 3.49Å; L104-V114 HydrophobicContact CD1-CG2 4.35Å; L104-V114 HydrophobicContact CG-CB 3.98Å; L104-V114 HydrophobicContact CG-CG1 4.04Å; L104-V114 PolarHBondContact N-O 3.07Å; D108-V114 HydrophobicContact CB-CG2 3.94Å; V114-K155 WeakPolarHBondContact CA-O 3.49Å; V114-I157 HydrophobicContact CG1-CD1 3.96Å; V114-I157 HydrophobicContact CG1-CG1 4.35Å; V114-F237 HydrophobicContact CG1-CD1 4.2Å; V114-F237 HydrophobicContact CG1-CE1 3.94Å; V114-F237 HydrophobicContact CG1-CZ 4.47Å; V114-F237 HydrophobicContact CG2-CD1 3.96Å; V114-F237 HydrophobicContact CG2-CE1 3.82Å; V114-I240 HydrophobicContact CG2-CD1 4.14Å |
| 115 | L | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.3 | 179.8 | -54 | 108.8 | 0 | 0 | 0 | 109.7 | V103 Y117 T139 I143 V154 K155 A156 I157 | V103-L115 HydrophobicContact CG2-CD2 4.19Å; V103-L115 HydrophobicContact CG2-CG 4.43Å; L115-Y117 HydrophobicContact CB-CE2 3.86Å; L115-T139 HydrophobicContact CD2-CG2 3.35Å; L115-I143 HydrophobicContact CD1-CD1 4.28Å; L115-I143 HydrophobicContact CD2-CD1 4.05Å; L115-V154 HydrophobicContact CD1-CB 3.77Å; L115-V154 HydrophobicContact CD1-CG1 4.25Å; L115-V154 HydrophobicContact CD1-CG2 4.3Å; L115-K155 PolarHBondContact N-O 2.77Å; L115-A156 HydrophobicContact CB-CB 4.49Å; L115-A156 CarbonylContact O-C 3.56Å; L115-A156 WeakPolarHBondContact O-CA 3.5Å; L115-I157 PolarHBondContact O-N 3.44Å |
| 116 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 134.9 | 174.6 | -54.9 | -170.1 | 0 | 0 | 0 | 109.6 | H101 G102 L104 R118 I157 P242 Y245 M252 I255 | H101-I116 WeakPolarHBondContact CA-O 3.3Å; H101-I116 PolarHBondContact ND1-O 3Å; G102-I116 PolarHBondContact N-O 3.28Å; G102-I116 PolarHBondContact O-N 3.08Å; L104-I116 HydrophobicContact CD2-CD1 3.71Å; L104-I116 HydrophobicContact CD2-CG1 4.36Å; L104-I116 HydrophobicContact CG-CD1 4.25Å; I116-R118 HydrophobicContact CG2-CG 4.42Å; I116-I157 CarbonylContact C-O 3.57Å; I116-I157 WeakPolarHBondContact CA-O 3.46Å; I116-I157 HydrophobicContact CD1-CD1 4.34Å; I116-I157 HydrophobicContact CG1-CB 4.28Å; I116-I157 HydrophobicContact CG1-CD1 4.28Å; I116-P242 HydrophobicContact CD1-CG 4.12Å; I116-Y245 HydrophobicContact CD1-CD2 4.03Å; I116-Y245 HydrophobicContact CD1-CE2 3.89Å; I116-Y245 HydrophobicContact CG2-CE2 3.82Å; I116-M252 HydrophobicContact CB-CE 4.25Å; I116-M252 HydrophobicContact CB-SD 4.31Å; I116-M252 HydrophobicContact CD1-SD 3.94Å; I116-M252 HydrophobicContact CG2-CE 3.85Å; I116-M252 HydrophobicContact CG2-SD 3.83Å; I116-I255 HydrophobicContact CD1-CD1 4.35Å |
| 117 | Y | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.5 | 174.4 | -60 | -84.8 | 0 | 0 | 0 | 109.2 | Y100 H101 L115 S136 A156 I157 F158 D159 | Y100-Y117 HydrophobicContact CD1-CD1 4.44Å; Y100-Y117 AromaticContact CE1-CD1 3.63Å; Y100-Y117 HydrophobicContact CE1-CD1 3.63Å; Y100-Y117 HydrophobicContact CE1-CE1 4.27Å; Y100-Y117 AromaticContact CZ-CD1 3.81Å; Y100-Y117 CarbonylContact O-C 3.53Å; Y100-Y117 WeakPolarHBondContact O-CA 3.31Å; H101-Y117 HydrophobicContact CB-CD1 4.1Å; H101-Y117 HydrophobicContact CB-CE1 4.28Å; H101-Y117 AromaticContact CE1-CE1 3.75Å; H101-Y117 AromaticContact CE1-CZ 3.77Å; H101-Y117 AromaticContact CG-CD1 3.94Å; H101-Y117 AromaticContact CG-CE1 3.71Å; H101-Y117 AromaticContact ND1-CD1 3.48Å; H101-Y117 WeakPolarHBondContact ND1-CD1 3.29Å; H101-Y117 AromaticContact ND1-CE1 3.25Å; H101-Y117 WeakPolarHBondContact ND1-CE1 2.94Å; H101-Y117 AromaticContact ND1-CZ 3.68Å; L115-Y117 HydrophobicContact CB-CE2 3.86Å; Y117-S136 VanDerWaalsContact CE1-OG 3.27Å; Y117-S136 WeakPolarHBondContact CE1-OG 3.49Å; Y117-S136 VanDerWaalsContact CZ-OG 3.29Å; Y117-S136 WeakPolarHBondContact OH-CB 3.4Å; Y117-S136 PolarHBondContact OH-OG 3.25Å; Y117-A156 HydrophobicContact CE2-CB 4.29Å; Y117-I157 PolarHBondContact N-O 3.03Å; Y117-F158 AromaticContact CD2-CD1 3.94Å; Y117-F158 HydrophobicContact CD2-CD1 3.94Å; Y117-F158 AromaticContact CD2-CE1 3.51Å; Y117-F158 HydrophobicContact CD2-CE1 3.51Å; Y117-F158 HydrophobicContact CD2-CE2 4.21Å; Y117-F158 HydrophobicContact CD2-CG 4.45Å; Y117-F158 AromaticContact CD2-CZ 3.67Å; Y117-F158 HydrophobicContact CD2-CZ 3.67Å; Y117-F158 HydrophobicContact CE2-CE1 4.18Å; Y117-F158 AromaticContact CE2-CZ 3.97Å; Y117-F158 HydrophobicContact CE2-CZ 3.97Å; Y117-F158 AromaticContact CG-CD1 4Å; Y117-F158 HydrophobicContact CG-CD1 4Å; Y117-F158 AromaticContact CG-CE1 3.72Å; Y117-F158 HydrophobicContact CG-CE1 3.72Å; Y117-F158 HydrophobicContact CG-CZ 4.33Å; Y117-F158 WeakPolarHBondContact O-CA 3.36Å; Y117-D159 PolarHBondContact O-N 2.92Å |
| 118 | R | 98.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 108.6 | -179.4 | -61.6 | -169.5 | -66.5 | 179.1 | -3.8 | 110.9 | G99 Y100 I116 A120 H121 D159 Y245 M252 | G99-R118 PolarHBondContact O-NE 2.75Å; G99-R118 PolarHBondContact O-NH2 2.95Å; Y100-R118 VanDerWaalsContact CD2-O 3.26Å; Y100-R118 WeakPolarHBondContact CD2-O 3.3Å; Y100-R118 PolarHBondContact O-N 3.45Å; I116-R118 HydrophobicContact CG2-CG 4.42Å; R118-A120 VanDerWaalsContact C-N 3.3Å; R118-A120 PolarHBondContact O-N 3.25Å; R118-H121 PolarHBondContact NE-NE2 2.68Å; R118-H121 PolarHBondContact NH1-NE2 2.74Å; R118-H121 PolarHBondContact O-N 3.34Å; R118-H121 VanDerWaalsContact O-N 3.16Å; R118-D159 HydrophobicContact CG-CB 4.33Å; R118-Y245 VanDerWaalsContact CD-OH 3.31Å; R118-Y245 WeakPolarHBondContact CD-OH 3.36Å; R118-Y245 VanDerWaalsContact CG-OH 3.31Å; R118-Y245 WeakPolarHBondContact CG-OH 3.18Å; R118-M252 HydrophobicContact CG-CE 4.14Å |
| 119 | I | 98.3 | Very high | 98.1 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -66.8 | -31.1 | -171.6 | -154.7 | 87.2 | 0 | 0 | 0 | 113 | H121 W122 D159 L160 E161 W163 | I119-H121 PolarHBondContact O-N 3.38Å; I119-W122 HydrophobicContact CD1-CE3 3.47Å; I119-W122 VanDerWaalsContact CD1-CE3 3.47Å; I119-W122 HydrophobicContact CD1-CZ3 3.85Å; I119-W122 HydrophobicContact CG1-CE3 3.99Å; I119-W122 WeakPolarHBondContact O-CB 3.29Å; I119-W122 PolarHBondContact O-N 3.27Å; I119-D159 WeakPolarHBondContact CG2-O 3.19Å; I119-D159 PolarHBondContact N-O 3.21Å; I119-L160 HydrophobicContact CB-CD2 4.43Å; I119-E161 WeakPolarHBondContact CG2-O 3.48Å; I119-W163 HydrophobicContact CD1-CE3 3.68Å; I119-W163 HydrophobicContact CD1-CZ3 3.63Å; I119-W163 HydrophobicContact CG1-CE3 3.62Å; I119-W163 HydrophobicContact CG1-CZ3 4.08Å; I119-W163 HydrophobicContact CG2-CB 4Å |
| 120 | A | 98.3 | Very high | 97.9 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 52% | 0.521 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -57.3 | -22.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R118 E161 | R118-A120 VanDerWaalsContact C-N 3.3Å; R118-A120 PolarHBondContact O-N 3.25Å; A120-E161 WeakPolarHBondContact CB-O 3.48Å; A120-E161 PolarHBondContact N-O 3.18Å |
| 121 | H | 98.6 | Very high | 97.8 | Very high | 66 Ų | 66 | 38 Ų | 38 | 31% | 0.306 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -95.4 | 3.5 | -178.7 | -64.9 | -97 | 0 | 0 | 0 | 113.1 | A98 R118 I119 | A98-H121 PolarHBondContact O-ND1 2.91Å; R118-H121 PolarHBondContact NE-NE2 2.68Å; R118-H121 PolarHBondContact NH1-NE2 2.74Å; R118-H121 PolarHBondContact O-N 3.34Å; R118-H121 VanDerWaalsContact O-N 3.16Å; I119-H121 PolarHBondContact O-N 3.38Å |
| 122 | W | 98.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 4% | 0.038 | 19% | 0.193 | C | C | . | . | trans | -94.9 | 114 | 167.3 | 169.9 | 25.6 | 0 | 0 | 0 | 109 | L95 Y100 I119 P124 F127 V132 H167 Q170 I171 | L95-W122 HydrophobicContact CD1-CB 4.22Å; Y100-W122 HydrophobicContact CD2-CB 3.94Å; Y100-W122 HydrophobicContact CE2-CB 4.09Å; I119-W122 HydrophobicContact CD1-CE3 3.47Å; I119-W122 VanDerWaalsContact CD1-CE3 3.47Å; I119-W122 HydrophobicContact CD1-CZ3 3.85Å; I119-W122 HydrophobicContact CG1-CE3 3.99Å; I119-W122 WeakPolarHBondContact O-CB 3.29Å; I119-W122 PolarHBondContact O-N 3.27Å; W122-P124 HydrophobicContact CZ2-CB 4.32Å; W122-P124 VanDerWaalsContact O-CD 3.3Å; W122-P124 WeakPolarHBondContact O-CD 3.43Å; W122-F127 PolarHBondContact NE1-O 3.34Å; W122-V132 HydrophobicContact CD2-CG2 3.64Å; W122-V132 HydrophobicContact CE3-CG2 4.28Å; W122-V132 HydrophobicContact CG-CG2 3.76Å; W122-V132 HydrophobicContact CZ2-CG2 4.07Å; W122-H167 AromaticContact CD2-CD2 3.58Å; W122-H167 HydrophobicContact CE3-CB 4.27Å; W122-H167 AromaticContact CE3-CD2 3.35Å; W122-H167 AromaticContact CE3-CG 3.92Å; W122-H167 HydrophobicContact CH2-CB 4.17Å; W122-H167 HydrophobicContact CZ3-CB 3.75Å; W122-H167 AromaticContact CZ3-CD2 3.66Å; W122-H167 AromaticContact CZ3-CG 3.92Å; W122-H167 PolarHBondContact O-NE2 3.27Å; W122-Q170 HydrophobicContact CH2-CB 3.86Å; W122-Q170 HydrophobicContact CH2-CG 4.23Å; W122-Q170 HydrophobicContact CZ2-CB 3.9Å; W122-Q170 HydrophobicContact CZ2-CG 3.85Å; W122-I171 HydrophobicContact CH2-CD1 4.45Å | ||
| 123 | D | 98.3 | Very high | 97.5 | Very high | 76 Ų | 76 | 40 Ų | 40 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | trans | -87.1 | 109.6 | 166 | -173.9 | -16.4 | 0 | 0 | 0 | 109.7 | K125 V126 F127 | D123-K125 PolarHBondContact O-N 3.37Å; D123-K125 VanDerWaalsContact OD1-CB 3.29Å; D123-K125 WeakPolarHBondContact OD1-CB 3.17Å; D123-K125 PolarHBondContact OD1-N 3.16Å; D123-V126 HydrophobicContact CB-CB 4.3Å; D123-V126 HydrophobicContact CB-CG2 4.16Å; D123-V126 PolarHBondContact O-N 3.25Å; D123-V126 VanDerWaalsContact O-N 3.09Å; D123-F127 PolarHBondContact O-N 2.83Å | ||
| 124 | P | 97 | Very high | 97.4 | Very high | 15 Ų | 15 | 39.9 Ų | 39.9 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -4.9 | -176.7 | 29.7 | -32.7 | 0 | 0 | 0 | 113.7 | W122 S166 H167 Q170 | W122-P124 HydrophobicContact CZ2-CB 4.32Å; W122-P124 VanDerWaalsContact O-CD 3.3Å; W122-P124 WeakPolarHBondContact O-CD 3.43Å; P124-S166 WeakPolarHBondContact CG-OG 3.38Å; P124-H167 WeakPolarHBondContact CD-NE2 3.43Å; P124-Q170 HydrophobicContact CB-CG 4.32Å; P124-Q170 PolarHBondContact O-NE2 3.47Å |
| 125 | K | 97.1 | Very high | 97.4 | Very high | 193 Ų | 193 | 39.9 Ų | 39.9 | 84% | 0.839 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -22.8 | 171 | -59.6 | 177 | -179.1 | 174 | 0 | 112.2 | D123 | D123-K125 PolarHBondContact O-N 3.37Å; D123-K125 VanDerWaalsContact OD1-CB 3.29Å; D123-K125 WeakPolarHBondContact OD1-CB 3.17Å; D123-K125 PolarHBondContact OD1-N 3.16Å |
| 126 | V | 98 | Very high | 97.3 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 56% | 0.564 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -44.1 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | D123 | D123-V126 HydrophobicContact CB-CB 4.3Å; D123-V126 HydrophobicContact CB-CG2 4.16Å; D123-V126 PolarHBondContact O-N 3.25Å; D123-V126 VanDerWaalsContact O-N 3.09Å |
| 127 | F | 97.8 | Very high | 97.1 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 13% | 0.127 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -115.8 | 133.9 | -177.3 | -61.8 | -73.2 | 0 | 0 | 0 | 111.2 | L95 W122 D123 D131 | L95-F127 HydrophobicContact CB-CD1 4.13Å; L95-F127 HydrophobicContact CB-CD2 3.89Å; L95-F127 HydrophobicContact CB-CE1 4.03Å; L95-F127 HydrophobicContact CB-CE2 3.78Å; L95-F127 HydrophobicContact CB-CG 4.07Å; L95-F127 HydrophobicContact CB-CZ 3.86Å; L95-F127 HydrophobicContact CD1-CD2 3.9Å; L95-F127 HydrophobicContact CD1-CE2 4.37Å; L95-F127 HydrophobicContact CD1-CG 4.36Å; L95-F127 HydrophobicContact CD2-CG 4.39Å; L95-F127 HydrophobicContact CG-CD2 4.37Å; W122-F127 PolarHBondContact NE1-O 3.34Å; D123-F127 PolarHBondContact O-N 2.83Å; F127-D131 HydrophobicContact CB-CB 4.13Å; F127-D131 HydrophobicContact CD1-CB 4.09Å |
| 128 | T | 96.8 | Very high | 97.1 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 32% | 0.319 | 21% | 0.21 | S | C | . | . | trans | -79.6 | 167.2 | 174.7 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | Y130 D131 V132 | T128-Y130 PolarHBondContact O-N 3.16Å; T128-Y130 PolarHBondContact OG1-N 3.47Å; T128-D131 WeakPolarHBondContact CB-OD2 3.42Å; T128-D131 PolarHBondContact N-OD2 3.41Å; T128-D131 PolarHBondContact O-N 3.3Å; T128-D131 VanDerWaalsContact O-N 3.15Å; T128-D131 VanDerWaalsContact OG1-CG 3.32Å; T128-D131 PolarHBondContact OG1-N 3.36Å; T128-D131 PolarHBondContact OG1-OD2 3.02Å; T128-V132 PolarHBondContact O-N 2.77Å; T128-V132 VanDerWaalsContact O-N 3.15Å | ||
| 129 | A | 95.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.7 | -30.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V132 F133 Q170 I171 V175 | A129-V132 PolarHBondContact O-N 3.45Å; A129-F133 HydrophobicContact CB-CE2 4.32Å; A129-F133 WeakPolarHBondContact O-CD2 3.27Å; A129-F133 PolarHBondContact O-N 3.02Å; A129-Q170 HydrophobicContact CB-CB 3.86Å; A129-Q170 WeakPolarHBondContact CB-O 3.2Å; A129-I171 HydrophobicContact CB-CD1 4.11Å; A129-V175 HydrophobicContact CB-CG1 4.19Å |
| 130 | Y | 94.4 | Very high | 97.1 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 28% | 0.282 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.7 | -41.1 | 177.7 | -62.6 | -73.6 | 0 | 0 | 0 | 112 | E82 L83 T128 V132 F133 R134 V175 K178 | E82-Y130 HydrophobicContact CG-CD1 3.44Å; E82-Y130 VanDerWaalsContact CG-CD1 3.44Å; E82-Y130 HydrophobicContact CG-CE1 3.46Å; E82-Y130 VanDerWaalsContact CG-CE1 3.46Å; E82-Y130 HydrophobicContact CG-CG 4.09Å; E82-Y130 WeakPolarHBondContact OE1-CE1 3.33Å; L83-Y130 HydrophobicContact CD1-CD1 4.38Å; L83-Y130 HydrophobicContact CD2-CD1 3.76Å; L83-Y130 HydrophobicContact CD2-CG 4.33Å; L83-Y130 WeakPolarHBondContact CD2-O 3.27Å; L83-Y130 HydrophobicContact CG-CD1 3.93Å; T128-Y130 PolarHBondContact O-N 3.16Å; T128-Y130 PolarHBondContact OG1-N 3.47Å; Y130-V132 VanDerWaalsContact C-N 3.32Å; Y130-V132 PolarHBondContact O-N 3.3Å; Y130-F133 PolarHBondContact O-N 2.72Å; Y130-R134 WeakPolarHBondContact O-CB 3.44Å; Y130-R134 PolarHBondContact O-N 3.23Å; Y130-V175 HydrophobicContact CE1-CG2 4.2Å; Y130-K178 HydrophobicContact CE1-CD 4.43Å |
| 131 | D | 95.9 | Very high | 97 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.15 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 175.6 | -56.7 | -49.7 | 0 | 0 | 0 | 111.1 | V92 F127 T128 R134 V135 | V92-D131 HydrophobicContact CG1-CB 4.14Å; V92-D131 WeakPolarHBondContact CG1-O 3.44Å; F127-D131 HydrophobicContact CB-CB 4.13Å; F127-D131 HydrophobicContact CD1-CB 4.09Å; T128-D131 WeakPolarHBondContact CB-OD2 3.42Å; T128-D131 PolarHBondContact N-OD2 3.41Å; T128-D131 PolarHBondContact O-N 3.3Å; T128-D131 VanDerWaalsContact O-N 3.15Å; T128-D131 VanDerWaalsContact OG1-CG 3.32Å; T128-D131 PolarHBondContact OG1-N 3.36Å; T128-D131 PolarHBondContact OG1-OD2 3.02Å; D131-R134 WeakPolarHBondContact O-CB 3.32Å; D131-R134 PolarHBondContact O-N 2.69Å; D131-R134 IonicContact OD1-CZ 2.63Å; D131-R134 IonicContact OD1-NH1 3.67Å; D131-R134 PolarHBondContact OD1-NH1 2.72Å; D131-R134 IonicContact OD1-NH2 2.84Å; D131-V135 PolarHBondContact O-N 2.83Å |
| 132 | V | 96.5 | Very high | 97 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | L95 Y100 W122 T128 A129 Y130 R134 V135 | L95-V132 HydrophobicContact CD2-CB 4.47Å; L95-V132 HydrophobicContact CD2-CG2 3.82Å; Y100-V132 HydrophobicContact CE1-CG1 3.88Å; Y100-V132 HydrophobicContact CE2-CG1 4.38Å; Y100-V132 WeakPolarHBondContact OH-CG1 3.29Å; W122-V132 HydrophobicContact CD2-CG2 3.64Å; W122-V132 HydrophobicContact CE3-CG2 4.28Å; W122-V132 HydrophobicContact CG-CG2 3.76Å; W122-V132 HydrophobicContact CZ2-CG2 4.07Å; T128-V132 PolarHBondContact O-N 2.77Å; T128-V132 VanDerWaalsContact O-N 3.15Å; A129-V132 PolarHBondContact O-N 3.45Å; Y130-V132 VanDerWaalsContact C-N 3.32Å; Y130-V132 PolarHBondContact O-N 3.3Å; V132-R134 VanDerWaalsContact C-N 3.28Å; V132-R134 PolarHBondContact O-N 2.83Å; V132-V135 WeakPolarHBondContact O-CB 3.36Å; V132-V135 PolarHBondContact O-N 3.43Å |
| 133 | F | 94.6 | Very high | 97 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 22% | 0.219 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -32.8 | 176.3 | -80.9 | -53.2 | 0 | 0 | 0 | 113.1 | L83 A129 Y130 V135 S136 L137 V175 I179 | L83-F133 HydrophobicContact CD1-CB 4.38Å; L83-F133 HydrophobicContact CD2-CB 3.57Å; A129-F133 HydrophobicContact CB-CE2 4.32Å; A129-F133 WeakPolarHBondContact O-CD2 3.27Å; A129-F133 PolarHBondContact O-N 3.02Å; Y130-F133 PolarHBondContact O-N 2.72Å; F133-V135 VanDerWaalsContact C-N 3.29Å; F133-V135 PolarHBondContact O-N 3.48Å; F133-S136 WeakPolarHBondContact O-CB 3.39Å; F133-S136 PolarHBondContact O-N 3.25Å; F133-S136 VanDerWaalsContact O-N 3.15Å; F133-L137 PolarHBondContact O-N 3.2Å; F133-V175 HydrophobicContact CD2-CG1 4.02Å; F133-V175 HydrophobicContact CE2-CG1 3.4Å; F133-V175 VanDerWaalsContact CE2-CG1 3.4Å; F133-V175 HydrophobicContact CZ-CG1 4.39Å; F133-I179 HydrophobicContact CD1-CG1 4.23Å; F133-I179 HydrophobicContact CD2-CG1 4.38Å; F133-I179 HydrophobicContact CE1-CB 4.5Å; F133-I179 HydrophobicContact CE1-CD1 3.85Å; F133-I179 HydrophobicContact CE1-CG1 3.43Å; F133-I179 VanDerWaalsContact CE1-CG1 3.43Å; F133-I179 HydrophobicContact CE2-CD1 3.64Å; F133-I179 HydrophobicContact CE2-CG1 3.6Å; F133-I179 HydrophobicContact CZ-CB 4.48Å; F133-I179 HydrophobicContact CZ-CD1 3.09Å; F133-I179 HydrophobicContact CZ-CG1 3.11Å |
| 134 | R | 95.6 | Very high | 97 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -36.4 | 175.8 | -165.4 | -178.3 | -60.6 | 109.6 | 9.1 | 111.7 | E82 D86 S91 V92 Y130 D131 V132 S136 L137 I138 | E82-R134 PolarHBondContact O-NH2 3.15Å; D86-R134 VanDerWaalsContact O-CD 3.27Å; D86-R134 WeakPolarHBondContact O-CD 3.48Å; S91-R134 PolarHBondContact OG-NH1 3.09Å; V92-R134 HydrophobicContact CG1-CB 4.28Å; Y130-R134 WeakPolarHBondContact O-CB 3.44Å; Y130-R134 PolarHBondContact O-N 3.23Å; D131-R134 WeakPolarHBondContact O-CB 3.32Å; D131-R134 PolarHBondContact O-N 2.69Å; D131-R134 IonicContact OD1-CZ 2.63Å; D131-R134 IonicContact OD1-NH1 3.67Å; D131-R134 PolarHBondContact OD1-NH1 2.72Å; D131-R134 IonicContact OD1-NH2 2.84Å; V132-R134 VanDerWaalsContact C-N 3.28Å; V132-R134 PolarHBondContact O-N 2.83Å; R134-S136 VanDerWaalsContact C-N 3.33Å; R134-S136 PolarHBondContact O-N 3.15Å; R134-L137 PolarHBondContact O-N 2.88Å; R134-I138 HydrophobicContact CG-CD1 4.04Å; R134-I138 HydrophobicContact CG-CG1 4.36Å; R134-I138 WeakPolarHBondContact O-CB 3.34Å; R134-I138 VanDerWaalsContact O-CG1 3.29Å; R134-I138 WeakPolarHBondContact O-CG1 3.47Å; R134-I138 PolarHBondContact O-N 3.46Å |
| 135 | V | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 172.1 | 173 | 0 | 0 | 0 | 0 | 111.4 | V92 L95 L96 Y100 H101 D131 V132 F133 T139 | V92-V135 HydrophobicContact CB-CG2 3.75Å; V92-V135 HydrophobicContact CG1-CG2 4.1Å; V92-V135 HydrophobicContact CG2-CG2 3.92Å; L95-V135 HydrophobicContact CD2-CG2 3.85Å; L96-V135 HydrophobicContact CD2-CG1 3.87Å; L96-V135 HydrophobicContact CD2-CG2 4.3Å; Y100-V135 HydrophobicContact CD1-CG1 4.3Å; Y100-V135 HydrophobicContact CE1-CG1 4.4Å; H101-V135 HydrophobicContact CB-CG1 3.81Å; D131-V135 PolarHBondContact O-N 2.83Å; V132-V135 WeakPolarHBondContact O-CB 3.36Å; V132-V135 PolarHBondContact O-N 3.43Å; F133-V135 VanDerWaalsContact C-N 3.29Å; F133-V135 PolarHBondContact O-N 3.48Å; V135-T139 WeakPolarHBondContact O-CB 3.29Å; V135-T139 PolarHBondContact O-N 3.38Å; V135-T139 PolarHBondContact O-OG1 3.23Å |
| 136 | S | 97.5 | Very high | 97 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | Y117 F133 R134 S140 | Y117-S136 VanDerWaalsContact CE1-OG 3.27Å; Y117-S136 WeakPolarHBondContact CE1-OG 3.49Å; Y117-S136 VanDerWaalsContact CZ-OG 3.29Å; Y117-S136 WeakPolarHBondContact OH-CB 3.4Å; Y117-S136 PolarHBondContact OH-OG 3.25Å; F133-S136 WeakPolarHBondContact O-CB 3.39Å; F133-S136 PolarHBondContact O-N 3.25Å; F133-S136 VanDerWaalsContact O-N 3.15Å; R134-S136 VanDerWaalsContact C-N 3.33Å; R134-S136 PolarHBondContact O-N 3.15Å; S136-S140 VanDerWaalsContact O-CB 3.23Å; S136-S140 WeakPolarHBondContact O-CB 3.47Å; S136-S140 PolarHBondContact O-N 3.22Å; S136-S140 PolarHBondContact O-OG 3.41Å |
| 137 | L | 95.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.3 | -47.9 | 179.1 | -175.1 | 60.5 | 0 | 0 | 0 | 111.9 | W76 L87 F133 R134 T139 S140 E141 F187 | W76-L137 HydrophobicContact CH2-CD1 4.39Å; W76-L137 HydrophobicContact CH2-CD2 3.97Å; W76-L137 HydrophobicContact CZ3-CD1 4.13Å; W76-L137 HydrophobicContact CZ3-CD2 3.86Å; L87-L137 HydrophobicContact CD2-CD2 3.63Å; L87-L137 HydrophobicContact CD2-CG 3.91Å; F133-L137 PolarHBondContact O-N 3.2Å; R134-L137 PolarHBondContact O-N 2.88Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 3.29Å; L137-S140 WeakPolarHBondContact O-CB 3.38Å; L137-S140 PolarHBondContact O-N 2.89Å; L137-S140 VanDerWaalsContact O-N 3.12Å; L137-E141 PolarHBondContact O-N 2.7Å; L137-F187 HydrophobicContact CD1-CD2 3.93Å; L137-F187 HydrophobicContact CD1-CE2 3.61Å |
| 138 | I | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.3 | -52.4 | 173 | -74.6 | 168.5 | 0 | 0 | 0 | 109.8 | L87 V92 R134 S140 E141 L142 I263 L270 | L87-I138 HydrophobicContact CB-CG1 4.23Å; L87-I138 HydrophobicContact CD2-CG1 4.31Å; L87-I138 WeakPolarHBondContact O-CD1 3.03Å; L87-I138 WeakPolarHBondContact O-CG1 3.08Å; V92-I138 HydrophobicContact CG2-CD1 3.91Å; R134-I138 HydrophobicContact CG-CD1 4.04Å; R134-I138 HydrophobicContact CG-CG1 4.36Å; R134-I138 WeakPolarHBondContact O-CB 3.34Å; R134-I138 VanDerWaalsContact O-CG1 3.29Å; R134-I138 WeakPolarHBondContact O-CG1 3.47Å; R134-I138 PolarHBondContact O-N 3.46Å; I138-S140 VanDerWaalsContact C-N 3.3Å; I138-S140 PolarHBondContact O-N 3.19Å; I138-E141 PolarHBondContact O-N 3.08Å; I138-L142 HydrophobicContact CG2-CD1 4.18Å; I138-L142 WeakPolarHBondContact O-CG 3.23Å; I138-L142 PolarHBondContact O-N 3.3Å; I138-L142 VanDerWaalsContact O-N 3.08Å; I138-I263 HydrophobicContact CG2-CD1 4.27Å; I138-I263 HydrophobicContact CG2-CG1 4.21Å; I138-I263 HydrophobicContact CG2-CG2 4.03Å; I138-L270 HydrophobicContact CB-CD2 4.44Å; I138-L270 HydrophobicContact CG1-CD2 4.48Å; I138-L270 HydrophobicContact CG2-CD1 3.66Å; I138-L270 HydrophobicContact CG2-CD2 3.92Å; I138-L270 HydrophobicContact CG2-CG 4.47Å |
| 139 | T | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 179.9 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | H101 V103 L115 V135 L137 L142 I143 W259 | H101-T139 PolarHBondContact CD2-OG1 3.06Å; H101-T139 WeakPolarHBondContact NE2-CG2 3.45Å; H101-T139 PolarHBondContact NE2-OG1 2.96Å; V103-T139 HydrophobicContact CG2-CG2 3.93Å; L115-T139 HydrophobicContact CD2-CG2 3.35Å; V135-T139 WeakPolarHBondContact O-CB 3.29Å; V135-T139 PolarHBondContact O-N 3.38Å; V135-T139 PolarHBondContact O-OG1 3.23Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 3.29Å; T139-L142 PolarHBondContact O-N 2.91Å; T139-I143 HydrophobicContact CG2-CD1 4.48Å; T139-I143 HydrophobicContact CG2-CG2 4.28Å; T139-I143 WeakPolarHBondContact O-CG1 3.31Å; T139-I143 WeakPolarHBondContact O-CG2 3.24Å; T139-I143 PolarHBondContact O-N 3.43Å; T139-W259 HydrophobicContact CG2-CZ2 3.69Å; T139-W259 PolarHBondContact OG1-NE1 3.05Å; T139-W259 VanDerWaalsContact OG1-NE1 3.1Å |
| 140 | S | 98 | Very high | 97.1 | Very high | 17 Ų | 17 | 24.7 Ų | 24.7 | 12% | 0.119 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 179 | -63 | 0 | 0 | 0 | 0 | 112 | S136 L137 I138 L142 V144 | S136-S140 VanDerWaalsContact O-CB 3.23Å; S136-S140 WeakPolarHBondContact O-CB 3.47Å; S136-S140 PolarHBondContact O-N 3.22Å; S136-S140 PolarHBondContact O-OG 3.41Å; L137-S140 WeakPolarHBondContact O-CB 3.38Å; L137-S140 PolarHBondContact O-N 2.89Å; L137-S140 VanDerWaalsContact O-N 3.12Å; I138-S140 VanDerWaalsContact C-N 3.3Å; I138-S140 PolarHBondContact O-N 3.19Å; S140-L142 VanDerWaalsContact C-N 3.29Å; S140-L142 PolarHBondContact O-N 3.15Å; S140-V144 VanDerWaalsContact O-CB 3.24Å; S140-V144 WeakPolarHBondContact O-CB 3.4Å; S140-V144 VanDerWaalsContact O-CG1 3.31Å; S140-V144 WeakPolarHBondContact O-CG1 3.27Å; S140-V144 PolarHBondContact O-N 3.25Å |
| 141 | E | 96.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.7 | -29.6 | 175.5 | -71.1 | -69.3 | -177.4 | 0 | 0 | 112.7 | R54 Y73 R77 L87 L137 I138 V144 F187 I273 | R54-E141 IonicContact NH1-OE2 2.62Å; Y73-E141 PolarHBondContact OH-OE1 3.1Å; R77-E141 IonicContact NH1-OE1 3.04Å; L87-E141 HydrophobicContact CD1-CG 4.14Å; L137-E141 PolarHBondContact O-N 2.7Å; I138-E141 PolarHBondContact O-N 3.08Å; E141-V144 WeakPolarHBondContact O-CG1 3.46Å; E141-F187 HydrophobicContact CG-CE2 4.09Å; E141-F187 HydrophobicContact CG-CZ 4Å; E141-F187 WeakPolarHBondContact OE1-CE2 3.46Å; E141-I273 HydrophobicContact CB-CD1 3.59Å; E141-I273 HydrophobicContact CG-CD1 3.75Å |
| 142 | L | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -74.6 | -53.7 | 174.6 | -66.8 | 172.7 | 0 | 0 | 0 | 111.9 | I138 T139 S140 V144 Q145 W259 F262 I263 Y269 L270 | I138-L142 HydrophobicContact CG2-CD1 4.18Å; I138-L142 WeakPolarHBondContact O-CG 3.23Å; I138-L142 PolarHBondContact O-N 3.3Å; I138-L142 VanDerWaalsContact O-N 3.08Å; T139-L142 PolarHBondContact O-N 2.91Å; S140-L142 VanDerWaalsContact C-N 3.29Å; S140-L142 PolarHBondContact O-N 3.15Å; L142-V144 VanDerWaalsContact C-N 3.31Å; L142-V144 PolarHBondContact O-N 3.43Å; L142-Q145 WeakPolarHBondContact O-CB 3.37Å; L142-Q145 WeakPolarHBondContact O-CG 3.38Å; L142-Q145 PolarHBondContact O-N 3.42Å; L142-Q145 PolarHBondContact O-NE2 2.84Å; L142-W259 HydrophobicContact CB-CH2 4.48Å; L142-W259 HydrophobicContact CB-CZ2 4.4Å; L142-W259 HydrophobicContact CD1-CZ2 4.31Å; L142-F262 HydrophobicContact CB-CE1 4.07Å; L142-F262 HydrophobicContact CD1-CD1 4.18Å; L142-F262 HydrophobicContact CD1-CE1 3.95Å; L142-F262 HydrophobicContact CD2-CE1 4.39Å; L142-F262 HydrophobicContact CG-CE1 4.36Å; L142-I263 HydrophobicContact CD1-CG1 3.81Å; L142-Y269 HydrophobicContact CD2-CD1 3.73Å; L142-Y269 HydrophobicContact CD2-CE1 4.04Å; L142-L270 HydrophobicContact CD2-CD2 4.13Å; L142-L270 HydrophobicContact CD2-CG 4.34Å; L142-L270 HydrophobicContact CG-CD2 4.17Å |
| 143 | I | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.5 | -23.3 | -174.1 | 69.2 | -177.1 | 0 | 0 | 0 | 113.1 | R113 L115 T139 Q145 E146 T149 V154 L189 W259 | R113-I143 HydrophobicContact CG-CB 4.43Å; R113-I143 HydrophobicContact CG-CD1 4.41Å; R113-I143 HydrophobicContact CG-CG2 4.25Å; L115-I143 HydrophobicContact CD1-CD1 4.28Å; L115-I143 HydrophobicContact CD2-CD1 4.05Å; T139-I143 HydrophobicContact CG2-CD1 4.48Å; T139-I143 HydrophobicContact CG2-CG2 4.28Å; T139-I143 WeakPolarHBondContact O-CG1 3.31Å; T139-I143 WeakPolarHBondContact O-CG2 3.24Å; T139-I143 PolarHBondContact O-N 3.43Å; I143-Q145 PolarHBondContact O-N 2.91Å; I143-E146 WeakPolarHBondContact O-CB 3.24Å; I143-E146 PolarHBondContact O-N 3.4Å; I143-E146 VanDerWaalsContact O-N 3.11Å; I143-T149 HydrophobicContact CB-CG2 4.34Å; I143-T149 HydrophobicContact CD1-CG2 4.41Å; I143-T149 HydrophobicContact CG1-CG2 4.17Å; I143-T149 WeakPolarHBondContact O-CB 3.49Å; I143-V154 HydrophobicContact CD1-CG1 3.7Å; I143-L189 HydrophobicContact CD1-CD1 4.09Å; I143-L189 HydrophobicContact CG1-CD1 4.08Å; I143-W259 HydrophobicContact CG2-CH2 3.65Å; I143-W259 HydrophobicContact CG2-CZ2 3.92Å |
| 144 | V | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.9 | 175.9 | 76.4 | 0 | 0 | 0 | 0 | 112.2 | R54 S140 E141 L142 E146 Q150 F187 P188 L189 | R54-V144 HydrophobicContact CB-CG2 4.21Å; R54-V144 HydrophobicContact CG-CG2 4.08Å; S140-V144 VanDerWaalsContact O-CB 3.24Å; S140-V144 WeakPolarHBondContact O-CB 3.4Å; S140-V144 VanDerWaalsContact O-CG1 3.31Å; S140-V144 WeakPolarHBondContact O-CG1 3.27Å; S140-V144 PolarHBondContact O-N 3.25Å; E141-V144 WeakPolarHBondContact O-CG1 3.46Å; L142-V144 VanDerWaalsContact C-N 3.31Å; L142-V144 PolarHBondContact O-N 3.43Å; V144-E146 PolarHBondContact O-N 3.25Å; V144-Q150 HydrophobicContact CG2-CG 4.25Å; V144-Q150 VanDerWaalsContact O-CG 3.23Å; V144-Q150 WeakPolarHBondContact O-CG 3.16Å; V144-Q150 PolarHBondContact O-NE2 3.18Å; V144-F187 HydrophobicContact CB-CE1 4.3Å; V144-F187 HydrophobicContact CG1-CE1 4.43Å; V144-F187 HydrophobicContact CG1-CZ 4.48Å; V144-P188 HydrophobicContact CG2-CG 4.22Å; V144-P188 WeakPolarHBondContact CG2-O 3.47Å; V144-L189 HydrophobicContact CB-CD2 3.93Å; V144-L189 HydrophobicContact CB-CG 4.22Å; V144-L189 HydrophobicContact CG2-CD2 3.84Å; V144-L189 HydrophobicContact CG2-CG 4.14Å |
| 145 | Q | 96.6 | Very high | 97.7 | Very high | 84 Ų | 84 | 22 Ų | 22 | 39% | 0.393 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -22.9 | 172.2 | -61.8 | -177.8 | 83.7 | 0 | 0 | 112.5 | L142 I143 V147 | L142-Q145 WeakPolarHBondContact O-CB 3.37Å; L142-Q145 WeakPolarHBondContact O-CG 3.38Å; L142-Q145 PolarHBondContact O-N 3.42Å; L142-Q145 PolarHBondContact O-NE2 2.84Å; I143-Q145 PolarHBondContact O-N 2.91Å; Q145-V147 PolarHBondContact O-N 3.4Å |
| 146 | E | 97.7 | Very high | 97.7 | Very high | 61 Ų | 61 | 22.5 Ų | 22.5 | 29% | 0.285 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -78.9 | 118.1 | -180 | -53.9 | 169.7 | 159.2 | 0 | 0 | 110.5 | R107 R113 I143 V144 E148 T149 Q150 | R107-E146 IonicContact CZ-OE2 2.76Å; R107-E146 IonicContact NH2-OE2 3.83Å; R107-E146 PolarHBondContact NH2-OE2 3.32Å; R113-E146 IonicContact NE-OE1 3.41Å; R113-E146 IonicContact NE-OE2 3.81Å; I143-E146 WeakPolarHBondContact O-CB 3.24Å; I143-E146 PolarHBondContact O-N 3.4Å; I143-E146 VanDerWaalsContact O-N 3.11Å; V144-E146 PolarHBondContact O-N 3.25Å; E146-E148 PolarHBondContact O-N 3.12Å; E146-T149 WeakPolarHBondContact O-CA 3.43Å; E146-T149 WeakPolarHBondContact O-CB 3.26Å; E146-T149 PolarHBondContact O-N 2.9Å; E146-T149 PolarHBondContact OE2-OG1 3.02Å; E146-Q150 WeakPolarHBondContact O-CG 3.21Å; E146-Q150 PolarHBondContact O-N 3.19Å |
| 147 | V | 96.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 21.5 Ų | 21.5 | 27% | 0.273 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -56.3 | -39.4 | 179.1 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | Q145 T149 Q150 R151 | Q145-V147 PolarHBondContact O-N 3.4Å; V147-T149 VanDerWaalsContact C-N 3.3Å; V147-T149 PolarHBondContact O-N 2.87Å; V147-Q150 WeakPolarHBondContact O-CB 3.38Å; V147-Q150 PolarHBondContact O-N 3.25Å; V147-Q150 VanDerWaalsContact O-N 3.17Å; V147-R151 HydrophobicContact CG1-CG 4.41Å; V147-R151 WeakPolarHBondContact O-CG 3.46Å; V147-R151 PolarHBondContact O-N 3.28Å |
| 148 | E | 96.9 | Very high | 97.9 | Very high | 79 Ų | 79 | 23.6 Ų | 23.6 | 37% | 0.369 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -64.2 | -33.5 | 176.6 | -68.6 | -53 | 120.3 | 0 | 0 | 112.7 | E146 R151 N152 | E146-E148 PolarHBondContact O-N 3.12Å; E148-R151 IonicContact OE1-CZ 3.87Å; E148-R151 IonicContact OE1-NH1 3.53Å; E148-R151 PolarHBondContact OE1-NH1 2.7Å; E148-N152 VanDerWaalsContact O-CB 3.24Å; E148-N152 WeakPolarHBondContact O-CB 3.23Å; E148-N152 PolarHBondContact O-N 3.3Å; E148-N152 PolarHBondContact O-ND2 2.98Å; E148-N152 VanDerWaalsContact O-ND2 3.1Å; E148-N152 PolarHBondContact OE2-ND2 2.66Å |
| 149 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.6 | -36.9 | 172.9 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | R107 R113 I143 E146 V147 R151 G153 V154 L189 | R107-T149 PolarHBondContact NH1-OG1 3.03Å; R107-T149 PolarHBondContact NH2-OG1 3.47Å; R113-T149 HydrophobicContact CB-CG2 4.08Å; I143-T149 HydrophobicContact CB-CG2 4.34Å; I143-T149 HydrophobicContact CD1-CG2 4.41Å; I143-T149 HydrophobicContact CG1-CG2 4.17Å; I143-T149 WeakPolarHBondContact O-CB 3.49Å; E146-T149 WeakPolarHBondContact O-CA 3.43Å; E146-T149 WeakPolarHBondContact O-CB 3.26Å; E146-T149 PolarHBondContact O-N 2.9Å; E146-T149 PolarHBondContact OE2-OG1 3.02Å; V147-T149 VanDerWaalsContact C-N 3.3Å; V147-T149 PolarHBondContact O-N 2.87Å; T149-R151 VanDerWaalsContact C-N 3.31Å; T149-R151 PolarHBondContact O-N 2.87Å; T149-G153 WeakPolarHBondContact O-CA 3.1Å; T149-G153 PolarHBondContact O-N 3.04Å; T149-V154 HydrophobicContact CG2-CG1 3.73Å; T149-L189 HydrophobicContact CG2-CD2 3.68Å |
| 150 | Q | 98.1 | Very high | 98 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 174.1 | -61.9 | 171.6 | 24.3 | 0 | 0 | 111.8 | R57 V144 E146 V147 | R57-Q150 HydrophobicContact CB-CB 4.12Å; V144-Q150 HydrophobicContact CG2-CG 4.25Å; V144-Q150 VanDerWaalsContact O-CG 3.23Å; V144-Q150 WeakPolarHBondContact O-CG 3.16Å; V144-Q150 PolarHBondContact O-NE2 3.18Å; E146-Q150 WeakPolarHBondContact O-CG 3.21Å; E146-Q150 PolarHBondContact O-N 3.19Å; V147-Q150 WeakPolarHBondContact O-CB 3.38Å; V147-Q150 PolarHBondContact O-N 3.25Å; V147-Q150 VanDerWaalsContact O-N 3.17Å |
| 151 | R | 96.2 | Very high | 98 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 19% | 0.192 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.8 | -55.9 | 178.1 | -72.6 | 171.6 | 170.5 | 167.8 | -5.1 | 112 | N15 A16 L17 V147 E148 T149 K190 R192 | N15-R151 PolarHBondContact O-NE 3.29Å; N15-R151 PolarHBondContact O-NH2 3.01Å; A16-R151 PolarHBondContact O-NH2 3.45Å; A16-R151 VanDerWaalsContact O-NH2 3.12Å; L17-R151 PolarHBondContact O-NH2 3.35Å; V147-R151 HydrophobicContact CG1-CG 4.41Å; V147-R151 WeakPolarHBondContact O-CG 3.46Å; V147-R151 PolarHBondContact O-N 3.28Å; E148-R151 IonicContact OE1-CZ 3.87Å; E148-R151 IonicContact OE1-NH1 3.53Å; E148-R151 PolarHBondContact OE1-NH1 2.7Å; T149-R151 VanDerWaalsContact C-N 3.31Å; T149-R151 PolarHBondContact O-N 2.87Å; R151-K190 PolarHBondContact O-NZ 2.89Å; R151-R192 PolarHBondContact O-NH2 2.95Å |
| 152 | N | 97.3 | Very high | 98 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 23% | 0.225 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -91.5 | -26.7 | -166.2 | -57.6 | -36.5 | 0 | 0 | 0 | 112 | T110 G111 E148 R192 | T110-N152 WeakPolarHBondContact O-CB 3.49Å; G111-N152 VanDerWaalsContact C-CB 3.46Å; G111-N152 VanDerWaalsContact O-CB 3.29Å; G111-N152 WeakPolarHBondContact O-CB 3.48Å; E148-N152 VanDerWaalsContact O-CB 3.24Å; E148-N152 WeakPolarHBondContact O-CB 3.23Å; E148-N152 PolarHBondContact O-N 3.3Å; E148-N152 PolarHBondContact O-ND2 2.98Å; E148-N152 VanDerWaalsContact O-ND2 3.1Å; E148-N152 PolarHBondContact OE2-ND2 2.66Å; N152-R192 WeakPolarHBondContact O-CG 3.42Å; N152-R192 PolarHBondContact O-NE 2.99Å |
| 153 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | 88.9 | -158.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S112 R113 T149 K190 | S112-G153 VanDerWaalsContact CA-O 3.28Å; S112-G153 WeakPolarHBondContact CA-O 3.15Å; R113-G153 PolarHBondContact N-O 3.11Å; T149-G153 WeakPolarHBondContact O-CA 3.1Å; T149-G153 PolarHBondContact O-N 3.04Å; G153-K190 CarbonylContact C-O 3.25Å; G153-K190 WeakPolarHBondContact CA-O 3.38Å | ||
| 154 | V | 98.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.3 | -173.8 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | R113 L115 I143 T149 L189 K190 R192 | R113-V154 HydrophobicContact CB-CG1 4.26Å; R113-V154 CarbonylContact O-C 3.55Å; R113-V154 VanDerWaalsContact O-CA 3.25Å; R113-V154 WeakPolarHBondContact O-CA 3.48Å; L115-V154 HydrophobicContact CD1-CB 3.77Å; L115-V154 HydrophobicContact CD1-CG1 4.25Å; L115-V154 HydrophobicContact CD1-CG2 4.3Å; I143-V154 HydrophobicContact CD1-CG1 3.7Å; T149-V154 HydrophobicContact CG2-CG1 3.73Å; V154-L189 HydrophobicContact CG1-CD1 4.24Å; V154-L189 HydrophobicContact CG1-CD2 4.08Å; V154-K190 PolarHBondContact N-O 2.99Å; V154-R192 WeakPolarHBondContact O-CB 3.46Å; V154-R192 PolarHBondContact O-N 2.86Å |
| 155 | K | 98.9 | Very high | 97.7 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.9 | 163.8 | -65.1 | -168.7 | 172.9 | 76.4 | 0 | 109.1 | D108 T110 S112 R113 V114 L115 R192 G193 F237 | D108-K155 IonicContact OD1-NZ 3.75Å; D108-K155 WeakPolarHBondContact OD2-CE 3.29Å; D108-K155 IonicContact OD2-NZ 2.95Å; D108-K155 PolarHBondContact OD2-NZ 2.64Å; T110-K155 PolarHBondContact OG1-NZ 2.89Å; S112-K155 PolarHBondContact OG-NZ 3.37Å; R113-K155 PolarHBondContact O-N 2.8Å; V114-K155 WeakPolarHBondContact CA-O 3.49Å; L115-K155 PolarHBondContact N-O 2.77Å; K155-R192 HydrophobicContact CG-CB 3.97Å; K155-G193 VanDerWaalsContact CA-O 3.28Å; K155-G193 WeakPolarHBondContact CA-O 3.26Å; K155-F237 HydrophobicContact CB-CE1 3.87Å; K155-F237 HydrophobicContact CB-CZ 3.89Å; K155-F237 HydrophobicContact CD-CE1 3.64Å; K155-F237 HydrophobicContact CD-CZ 3.78Å; K155-F237 HydrophobicContact CG-CE1 4.35Å; K155-F237 HydrophobicContact CG-CZ 4.48Å |
| 156 | A | 98.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110 | L115 Y117 F158 G193 I194 H195 | L115-A156 HydrophobicContact CB-CB 4.49Å; L115-A156 CarbonylContact O-C 3.56Å; L115-A156 WeakPolarHBondContact O-CA 3.5Å; Y117-A156 HydrophobicContact CE2-CB 4.29Å; A156-F158 HydrophobicContact CB-CD2 4.35Å; A156-F158 HydrophobicContact CB-CE2 3.72Å; A156-F158 HydrophobicContact CB-CZ 4.42Å; A156-G193 PolarHBondContact N-O 2.95Å; A156-I194 CarbonylContact O-C 3.57Å; A156-I194 WeakPolarHBondContact O-CA 3.48Å; A156-H195 PolarHBondContact O-N 3.44Å |
| 157 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.6 | 171.5 | -55.1 | 171.3 | 0 | 0 | 0 | 107 | V114 L115 I116 Y117 H195 I197 L233 F237 L241 | V114-I157 HydrophobicContact CG1-CD1 3.96Å; V114-I157 HydrophobicContact CG1-CG1 4.35Å; L115-I157 PolarHBondContact O-N 3.44Å; I116-I157 CarbonylContact C-O 3.57Å; I116-I157 WeakPolarHBondContact CA-O 3.46Å; I116-I157 HydrophobicContact CD1-CD1 4.34Å; I116-I157 HydrophobicContact CG1-CB 4.28Å; I116-I157 HydrophobicContact CG1-CD1 4.28Å; Y117-I157 PolarHBondContact N-O 3.03Å; I157-H195 CarbonylContact C-O 3.57Å; I157-H195 WeakPolarHBondContact CA-O 3.46Å; I157-H195 HydrophobicContact CG1-CB 4.21Å; I157-I197 HydrophobicContact CG2-CD1 4.31Å; I157-L233 HydrophobicContact CD1-CD1 4.26Å; I157-L233 HydrophobicContact CG1-CD1 4.43Å; I157-L233 HydrophobicContact CG2-CD1 4.43Å; I157-F237 HydrophobicContact CD1-CD2 3.88Å; I157-F237 HydrophobicContact CD1-CE2 3.75Å; I157-F237 HydrophobicContact CD1-CG 4.43Å; I157-F237 HydrophobicContact CD1-CZ 4.19Å; I157-F237 HydrophobicContact CG1-CE2 3.9Å; I157-F237 HydrophobicContact CG1-CZ 4.14Å; I157-L241 HydrophobicContact CD1-CD2 3.77Å |
| 158 | F | 98.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 23% | 0.232 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.9 | 170.9 | -65.5 | -96.1 | 0 | 0 | 0 | 108 | Y117 A156 L160 I194 H195 L196 I197 | Y117-F158 AromaticContact CD2-CD1 3.94Å; Y117-F158 HydrophobicContact CD2-CD1 3.94Å; Y117-F158 AromaticContact CD2-CE1 3.51Å; Y117-F158 HydrophobicContact CD2-CE1 3.51Å; Y117-F158 HydrophobicContact CD2-CE2 4.21Å; Y117-F158 HydrophobicContact CD2-CG 4.45Å; Y117-F158 AromaticContact CD2-CZ 3.67Å; Y117-F158 HydrophobicContact CD2-CZ 3.67Å; Y117-F158 HydrophobicContact CE2-CE1 4.18Å; Y117-F158 AromaticContact CE2-CZ 3.97Å; Y117-F158 HydrophobicContact CE2-CZ 3.97Å; Y117-F158 AromaticContact CG-CD1 4Å; Y117-F158 HydrophobicContact CG-CD1 4Å; Y117-F158 AromaticContact CG-CE1 3.72Å; Y117-F158 HydrophobicContact CG-CE1 3.72Å; Y117-F158 HydrophobicContact CG-CZ 4.33Å; Y117-F158 WeakPolarHBondContact O-CA 3.36Å; A156-F158 HydrophobicContact CB-CD2 4.35Å; A156-F158 HydrophobicContact CB-CE2 3.72Å; A156-F158 HydrophobicContact CB-CZ 4.42Å; F158-L160 HydrophobicContact CB-CD2 4.12Å; F158-L160 HydrophobicContact CB-CG 4.37Å; F158-L160 PolarHBondContact O-N 3.39Å; F158-I194 HydrophobicContact CD2-CG2 4Å; F158-I194 HydrophobicContact CE2-CG2 4.02Å; F158-H195 PolarHBondContact N-O 2.63Å; F158-L196 HydrophobicContact CB-CD2 3.65Å; F158-L196 HydrophobicContact CD2-CD2 3.8Å; F158-L196 HydrophobicContact CG-CD2 4Å; F158-I197 PolarHBondContact O-N 2.91Å |
| 159 | D | 98.8 | Very high | 97.5 | Very high | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 111.2 | 164.9 | -171.8 | -2 | 0 | 0 | 0 | 108.9 | Y117 R118 I119 E161 I197 N198 Y245 | Y117-D159 PolarHBondContact O-N 2.92Å; R118-D159 HydrophobicContact CG-CB 4.33Å; I119-D159 WeakPolarHBondContact CG2-O 3.19Å; I119-D159 PolarHBondContact N-O 3.21Å; D159-E161 VanDerWaalsContact OD1-CB 3.3Å; D159-E161 WeakPolarHBondContact OD1-CB 3.4Å; D159-E161 PolarHBondContact OD1-N 2.81Å; D159-I197 HydrophobicContact CB-CD1 3.98Å; D159-I197 HydrophobicContact CB-CG1 3.94Å; D159-N198 PolarHBondContact OD1-ND2 3.35Å; D159-Y245 HydrophobicContact CB-CE1 4.32Å; D159-Y245 WeakPolarHBondContact OD2-CE1 3.45Å; D159-Y245 PolarHBondContact OD2-OH 3.26Å |
| 160 | L | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | trans | -96.3 | 7.7 | -177.2 | -60.7 | -179.7 | 0 | 0 | 0 | 112.5 | I119 F158 G162 W163 L196 I197 N198 E199 F203 | I119-L160 HydrophobicContact CB-CD2 4.43Å; F158-L160 HydrophobicContact CB-CD2 4.12Å; F158-L160 HydrophobicContact CB-CG 4.37Å; F158-L160 PolarHBondContact O-N 3.39Å; L160-G162 PolarHBondContact O-N 3.42Å; L160-W163 HydrophobicContact CD2-CE3 4.09Å; L160-W163 WeakPolarHBondContact O-CB 3.3Å; L160-W163 PolarHBondContact O-N 3.33Å; L160-L196 HydrophobicContact CD1-CB 4.14Å; L160-L196 HydrophobicContact CD1-CD1 4.49Å; L160-L196 HydrophobicContact CD1-CD2 4.34Å; L160-I197 WeakPolarHBondContact CB-O 3.3Å; L160-I197 PolarHBondContact N-O 2.93Å; L160-N198 CarbonylContact C-O 3.44Å; L160-E199 HydrophobicContact CB-CB 4.48Å; L160-E199 HydrophobicContact CD1-CB 3.73Å; L160-F203 HydrophobicContact CD1-CD1 3.76Å; L160-F203 HydrophobicContact CD1-CD2 3.84Å; L160-F203 HydrophobicContact CD1-CE1 3.73Å; L160-F203 HydrophobicContact CD1-CE2 3.79Å; L160-F203 HydrophobicContact CD1-CG 3.83Å; L160-F203 HydrophobicContact CD1-CZ 3.73Å; L160-F203 HydrophobicContact CD2-CE2 4.29Å | ||
| 161 | E | 98.3 | Very high | 97.1 | Very high | 125 Ų | 125 | 44 Ų | 44 | 58% | 0.584 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 132.5 | 168.2 | -174 | 171.8 | -141.9 | 0 | 0 | 110.1 | I119 A120 D159 W163 N198 | I119-E161 WeakPolarHBondContact CG2-O 3.48Å; A120-E161 WeakPolarHBondContact CB-O 3.48Å; A120-E161 PolarHBondContact N-O 3.18Å; D159-E161 VanDerWaalsContact OD1-CB 3.3Å; D159-E161 WeakPolarHBondContact OD1-CB 3.4Å; D159-E161 PolarHBondContact OD1-N 2.81Å; E161-W163 VanDerWaalsContact C-N 3.34Å; E161-N198 HydrophobicContact CB-CB 3.8Å |
| 162 | G | 97 | Very high | 97 | Very high | 42 Ų | 42 | 44.2 Ų | 44.2 | 43% | 0.433 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 8.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L160 Q164 | L160-G162 PolarHBondContact O-N 3.42Å; G162-Q164 WeakPolarHBondContact O-CG 3.37Å; G162-Q164 PolarHBondContact O-N 3.31Å |
| 163 | W | 97.2 | Very high | 96.9 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | trans | -60.5 | 133.4 | 171.4 | 176.9 | -77.7 | 0 | 0 | 0 | 111.7 | I119 L160 E161 H167 A168 I171 P200 F203 V206 | I119-W163 HydrophobicContact CD1-CE3 3.68Å; I119-W163 HydrophobicContact CD1-CZ3 3.63Å; I119-W163 HydrophobicContact CG1-CE3 3.62Å; I119-W163 HydrophobicContact CG1-CZ3 4.08Å; I119-W163 HydrophobicContact CG2-CB 4Å; L160-W163 HydrophobicContact CD2-CE3 4.09Å; L160-W163 WeakPolarHBondContact O-CB 3.3Å; L160-W163 PolarHBondContact O-N 3.33Å; E161-W163 VanDerWaalsContact C-N 3.34Å; W163-H167 HydrophobicContact CD2-CB 4.09Å; W163-H167 HydrophobicContact CE3-CB 4.13Å; W163-H167 HydrophobicContact CH2-CB 3.84Å; W163-H167 HydrophobicContact CZ2-CB 3.82Å; W163-H167 HydrophobicContact CZ3-CB 4.01Å; W163-A168 HydrophobicContact CZ2-CB 3.94Å; W163-I171 HydrophobicContact CH2-CG1 4.13Å; W163-P200 HydrophobicContact CB-CG 3.77Å; W163-P200 HydrophobicContact CG-CG 4.02Å; W163-F203 AromaticContact CD2-CD2 3.97Å; W163-F203 HydrophobicContact CD2-CD2 3.97Å; W163-F203 AromaticContact CE3-CD2 3.99Å; W163-F203 HydrophobicContact CE3-CD2 3.99Å; W163-F203 HydrophobicContact CE3-CE2 4.37Å; W163-F203 HydrophobicContact CH2-CD2 4.23Å; W163-F203 HydrophobicContact CH2-CE2 4.35Å; W163-F203 HydrophobicContact CZ2-CD2 4.16Å; W163-F203 HydrophobicContact CZ3-CD2 4.13Å; W163-F203 HydrophobicContact CZ3-CE2 4.16Å; W163-V206 HydrophobicContact CH2-CG1 4.38Å; W163-V206 HydrophobicContact CZ2-CB 4.39Å; W163-V206 HydrophobicContact CZ2-CG1 4.45Å; W163-V206 HydrophobicContact CZ2-CG2 3.86Å | ||
| 164 | Q | 96 | Very high | 96.6 | Very high | 116 Ų | 116 | 49.1 Ų | 49.1 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | trans | -127.4 | 163.7 | -175.1 | -64.6 | -165.9 | -29.6 | 0 | 0 | 111.3 | G162 S166 H167 A168 | G162-Q164 WeakPolarHBondContact O-CG 3.37Å; G162-Q164 PolarHBondContact O-N 3.31Å; Q164-S166 VanDerWaalsContact CB-OG 3.3Å; Q164-S166 WeakPolarHBondContact CB-OG 3.49Å; Q164-S166 PolarHBondContact O-N 3.22Å; Q164-S166 PolarHBondContact OE1-OG 3.24Å; Q164-H167 PolarHBondContact N-ND1 3.42Å; Q164-H167 WeakPolarHBondContact O-CB 3.45Å; Q164-H167 PolarHBondContact O-N 3.4Å; Q164-H167 VanDerWaalsContact O-N 3.1Å; Q164-A168 PolarHBondContact O-N 3.1Å | ||
| 165 | I | 95.1 | Very high | 96.4 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.4 | -35.3 | 173.3 | -67.1 | 173 | 0 | 0 | 0 | 111.4 | H167 A168 F169 I202 | I165-H167 VanDerWaalsContact C-N 3.31Å; I165-H167 PolarHBondContact O-N 2.75Å; I165-A168 WeakPolarHBondContact O-CA 3.49Å; I165-A168 WeakPolarHBondContact O-CB 3.26Å; I165-A168 PolarHBondContact O-N 2.93Å; I165-F169 HydrophobicContact CG2-CD2 3.59Å; I165-F169 HydrophobicContact CG2-CE2 3.25Å; I165-F169 HydrophobicContact CG2-CZ 4.19Å; I165-F169 VanDerWaalsContact O-CD2 3.27Å; I165-F169 WeakPolarHBondContact O-CD2 3.35Å; I165-F169 PolarHBondContact O-N 2.95Å; I165-I202 HydrophobicContact CD1-CD1 3.9Å; I165-I202 HydrophobicContact CG1-CD1 3.36Å |
| 166 | S | 96.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 47.7 Ų | 47.7 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -38.7 | 175 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | P124 Q164 | P124-S166 WeakPolarHBondContact CG-OG 3.38Å; Q164-S166 VanDerWaalsContact CB-OG 3.3Å; Q164-S166 WeakPolarHBondContact CB-OG 3.49Å; Q164-S166 PolarHBondContact O-N 3.22Å; Q164-S166 PolarHBondContact OE1-OG 3.24Å |
| 167 | H | 97.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 170.7 | -58.5 | 136.4 | 0 | 0 | 0 | 111.1 | W122 P124 W163 Q164 I165 F169 Q170 | W122-H167 AromaticContact CD2-CD2 3.58Å; W122-H167 HydrophobicContact CE3-CB 4.27Å; W122-H167 AromaticContact CE3-CD2 3.35Å; W122-H167 AromaticContact CE3-CG 3.92Å; W122-H167 HydrophobicContact CH2-CB 4.17Å; W122-H167 HydrophobicContact CZ3-CB 3.75Å; W122-H167 AromaticContact CZ3-CD2 3.66Å; W122-H167 AromaticContact CZ3-CG 3.92Å; W122-H167 PolarHBondContact O-NE2 3.27Å; P124-H167 WeakPolarHBondContact CD-NE2 3.43Å; W163-H167 HydrophobicContact CD2-CB 4.09Å; W163-H167 HydrophobicContact CE3-CB 4.13Å; W163-H167 HydrophobicContact CH2-CB 3.84Å; W163-H167 HydrophobicContact CZ2-CB 3.82Å; W163-H167 HydrophobicContact CZ3-CB 4.01Å; Q164-H167 PolarHBondContact N-ND1 3.42Å; Q164-H167 WeakPolarHBondContact O-CB 3.45Å; Q164-H167 PolarHBondContact O-N 3.4Å; Q164-H167 VanDerWaalsContact O-N 3.1Å; I165-H167 VanDerWaalsContact C-N 3.31Å; I165-H167 PolarHBondContact O-N 2.75Å; H167-F169 VanDerWaalsContact C-N 3.32Å; H167-F169 PolarHBondContact O-N 3.09Å; H167-Q170 WeakPolarHBondContact O-CB 3.37Å; H167-Q170 PolarHBondContact O-N 3.18Å; H167-Q170 VanDerWaalsContact O-N 3.1Å |
| 168 | A | 94.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -38.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W163 Q164 I165 Q170 I171 V206 | W163-A168 HydrophobicContact CZ2-CB 3.94Å; Q164-A168 PolarHBondContact O-N 3.1Å; I165-A168 WeakPolarHBondContact O-CA 3.49Å; I165-A168 WeakPolarHBondContact O-CB 3.26Å; I165-A168 PolarHBondContact O-N 2.93Å; A168-Q170 PolarHBondContact O-N 2.89Å; A168-I171 PolarHBondContact O-N 2.89Å; A168-V206 HydrophobicContact CB-CG2 3.71Å |
| 169 | F | 94.9 | Very high | 95.2 | Very high | 167 Ų | 167 | 53.5 Ų | 53.5 | 73% | 0.732 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.1 | -24.8 | 176.4 | -82.1 | -62.6 | 0 | 0 | 0 | 114 | I165 H167 I171 | I165-F169 HydrophobicContact CG2-CD2 3.59Å; I165-F169 HydrophobicContact CG2-CE2 3.25Å; I165-F169 HydrophobicContact CG2-CZ 4.19Å; I165-F169 VanDerWaalsContact O-CD2 3.27Å; I165-F169 WeakPolarHBondContact O-CD2 3.35Å; I165-F169 PolarHBondContact O-N 2.95Å; H167-F169 VanDerWaalsContact C-N 3.32Å; H167-F169 PolarHBondContact O-N 3.09Å; F169-I171 VanDerWaalsContact C-N 3.3Å |
| 170 | Q | 95.3 | Very high | 95 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -75.4 | -21.2 | 175.1 | -64.3 | -82.2 | -12.9 | 0 | 0 | 112 | W122 P124 A129 H167 A168 T172 | W122-Q170 HydrophobicContact CH2-CB 3.86Å; W122-Q170 HydrophobicContact CH2-CG 4.23Å; W122-Q170 HydrophobicContact CZ2-CB 3.9Å; W122-Q170 HydrophobicContact CZ2-CG 3.85Å; P124-Q170 HydrophobicContact CB-CG 4.32Å; P124-Q170 PolarHBondContact O-NE2 3.47Å; A129-Q170 HydrophobicContact CB-CB 3.86Å; A129-Q170 WeakPolarHBondContact CB-O 3.2Å; H167-Q170 WeakPolarHBondContact O-CB 3.37Å; H167-Q170 PolarHBondContact O-N 3.18Å; H167-Q170 VanDerWaalsContact O-N 3.1Å; A168-Q170 PolarHBondContact O-N 2.89Å; Q170-T172 PolarHBondContact O-N 3.01Å |
| 171 | I | 94.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | trans | -92.3 | 84.8 | -178.7 | -46.7 | -56 | 0 | 0 | 0 | 110.3 | W122 A129 W163 A168 F169 V175 V206 | W122-I171 HydrophobicContact CH2-CD1 4.45Å; A129-I171 HydrophobicContact CB-CD1 4.11Å; W163-I171 HydrophobicContact CH2-CG1 4.13Å; A168-I171 PolarHBondContact O-N 2.89Å; F169-I171 VanDerWaalsContact C-N 3.3Å; I171-V175 HydrophobicContact CD1-CG1 4.24Å; I171-V175 HydrophobicContact CG2-CG1 4.42Å; I171-V206 HydrophobicContact CB-CG1 3.99Å; I171-V206 HydrophobicContact CG1-CG1 4.07Å; I171-V206 HydrophobicContact CG2-CG1 3.77Å | ||
| 172 | T | 94.2 | Very high | 94.5 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | trans | -80 | 165.1 | 174.3 | 71.2 | 0 | 0 | 0 | 0 | 111.7 | Q170 S174 V175 A176 | Q170-T172 PolarHBondContact O-N 3.01Å; T172-S174 PolarHBondContact O-N 2.94Å; T172-V175 PolarHBondContact O-N 3.2Å; T172-V175 VanDerWaalsContact O-N 3.09Å; T172-V175 WeakPolarHBondContact OG1-CG2 3.07Å; T172-V175 PolarHBondContact OG1-N 3.14Å; T172-A176 WeakPolarHBondContact O-CB 3.49Å; T172-A176 PolarHBondContact O-N 2.97Å | ||
| 173 | P | 94.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.8 | -33.3 | 173.3 | -27.6 | 36 | 0 | 0 | 0 | 113.8 | K177 M209 | P173-K177 WeakPolarHBondContact O-CB 3.48Å; P173-K177 PolarHBondContact O-N 3.05Å; P173-M209 HydrophobicContact CB-SD 4.44Å; P173-M209 HydrophobicContact CG-SD 3.96Å |
| 174 | S | 92.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 43% | 0.427 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | T172 A176 K177 K178 | T172-S174 PolarHBondContact O-N 2.94Å; S174-A176 PolarHBondContact O-N 3.34Å; S174-K177 PolarHBondContact O-N 3.29Å; S174-K178 WeakPolarHBondContact O-CG 3.25Å; S174-K178 PolarHBondContact O-N 3.39Å |
| 175 | V | 92.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110.5 | A129 Y130 F133 I171 T172 K177 K178 I179 | A129-V175 HydrophobicContact CB-CG1 4.19Å; Y130-V175 HydrophobicContact CE1-CG2 4.2Å; F133-V175 HydrophobicContact CD2-CG1 4.02Å; F133-V175 HydrophobicContact CE2-CG1 3.4Å; F133-V175 VanDerWaalsContact CE2-CG1 3.4Å; F133-V175 HydrophobicContact CZ-CG1 4.39Å; I171-V175 HydrophobicContact CD1-CG1 4.24Å; I171-V175 HydrophobicContact CG2-CG1 4.42Å; T172-V175 PolarHBondContact O-N 3.2Å; T172-V175 VanDerWaalsContact O-N 3.09Å; T172-V175 WeakPolarHBondContact OG1-CG2 3.07Å; T172-V175 PolarHBondContact OG1-N 3.14Å; V175-K177 VanDerWaalsContact C-N 3.3Å; V175-K177 PolarHBondContact O-N 2.99Å; V175-K178 WeakPolarHBondContact O-CB 3.38Å; V175-K178 PolarHBondContact O-N 3.08Å; V175-I179 HydrophobicContact CG1-CD1 4.11Å; V175-I179 HydrophobicContact CG1-CG1 4.44Å; V175-I179 VanDerWaalsContact O-CG1 3.3Å; V175-I179 WeakPolarHBondContact O-CG1 3.48Å; V175-I179 PolarHBondContact O-N 2.84Å |
| 176 | A | 93.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.6 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T172 S174 I179 A180 M209 I210 F213 | T172-A176 WeakPolarHBondContact O-CB 3.49Å; T172-A176 PolarHBondContact O-N 2.97Å; S174-A176 PolarHBondContact O-N 3.34Å; A176-I179 PolarHBondContact O-N 3.29Å; A176-A180 WeakPolarHBondContact O-CB 3.48Å; A176-A180 PolarHBondContact O-N 3.01Å; A176-M209 HydrophobicContact CB-CG 4.12Å; A176-M209 HydrophobicContact CB-SD 4.25Å; A176-I210 HydrophobicContact CB-CG1 3.8Å; A176-F213 HydrophobicContact CB-CD2 4.46Å; A176-F213 HydrophobicContact CB-CE2 4.34Å |
| 177 | K | 94.3 | Very high | 93.8 | Very high | 133 Ų | 133 | 40 Ų | 40 | 58% | 0.578 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -65.3 | -41.1 | 175.3 | -174 | -178.3 | 176.7 | -173.1 | 0 | 111.9 | P173 S174 V175 A180 A181 | P173-K177 WeakPolarHBondContact O-CB 3.48Å; P173-K177 PolarHBondContact O-N 3.05Å; S174-K177 PolarHBondContact O-N 3.29Å; V175-K177 VanDerWaalsContact C-N 3.3Å; V175-K177 PolarHBondContact O-N 2.99Å; K177-A180 PolarHBondContact O-N 2.95Å; K177-A181 WeakPolarHBondContact O-CB 3.45Å; K177-A181 PolarHBondContact O-N 3.16Å |
| 178 | K | 92.9 | Very high | 93.8 | Very high | 31 Ų | 31 | 40 Ų | 40 | 14% | 0.135 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.4 | -67.1 | 177.3 | -168.2 | -73.1 | 0 | 111.6 | W76 E79 C80 E82 L83 Y130 S174 V175 A181 V182 | W76-K178 PolarHBondContact NE1-O 3.43Å; E79-K178 PolarHBondContact O-NZ 2.97Å; C80-K178 HydrophobicContact CB-CD 4.32Å; C80-K178 PolarHBondContact SG-NZ 3.1Å; E82-K178 WeakPolarHBondContact OE1-CE 3.38Å; E82-K178 IonicContact OE1-NZ 3.3Å; E82-K178 PolarHBondContact OE1-NZ 3.19Å; E82-K178 VanDerWaalsContact OE1-NZ 3.13Å; L83-K178 HydrophobicContact CD1-CD 4.13Å; Y130-K178 HydrophobicContact CE1-CD 4.43Å; S174-K178 WeakPolarHBondContact O-CG 3.25Å; S174-K178 PolarHBondContact O-N 3.39Å; V175-K178 WeakPolarHBondContact O-CB 3.38Å; V175-K178 PolarHBondContact O-N 3.08Å; K178-A181 PolarHBondContact O-N 3Å; K178-V182 PolarHBondContact O-N 3.45Å |
| 179 | I | 89.9 | Confident | 93.9 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56 | -54.9 | 172.7 | -62.3 | 169.5 | 0 | 0 | 0 | 110.4 | F133 V175 A176 A181 V182 L183 I210 | F133-I179 HydrophobicContact CD1-CG1 4.23Å; F133-I179 HydrophobicContact CD2-CG1 4.38Å; F133-I179 HydrophobicContact CE1-CB 4.5Å; F133-I179 HydrophobicContact CE1-CD1 3.85Å; F133-I179 HydrophobicContact CE1-CG1 3.43Å; F133-I179 VanDerWaalsContact CE1-CG1 3.43Å; F133-I179 HydrophobicContact CE2-CD1 3.64Å; F133-I179 HydrophobicContact CE2-CG1 3.6Å; F133-I179 HydrophobicContact CZ-CB 4.48Å; F133-I179 HydrophobicContact CZ-CD1 3.09Å; F133-I179 HydrophobicContact CZ-CG1 3.11Å; V175-I179 HydrophobicContact CG1-CD1 4.11Å; V175-I179 HydrophobicContact CG1-CG1 4.44Å; V175-I179 VanDerWaalsContact O-CG1 3.3Å; V175-I179 WeakPolarHBondContact O-CG1 3.48Å; V175-I179 PolarHBondContact O-N 2.84Å; A176-I179 PolarHBondContact O-N 3.29Å; I179-A181 VanDerWaalsContact C-N 3.25Å; I179-A181 PolarHBondContact O-N 3.06Å; I179-V182 PolarHBondContact O-N 3.29Å; I179-L183 HydrophobicContact CG2-CD1 3.77Å; I179-L183 HydrophobicContact CG2-CG 4.3Å; I179-L183 WeakPolarHBondContact O-CG 3.45Å; I179-L183 PolarHBondContact O-N 3.44Å; I179-L183 VanDerWaalsContact O-N 3.09Å; I179-I210 HydrophobicContact CD1-CD1 4.09Å |
| 180 | A | 93.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -36.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A176 K177 L183 T184 F213 L214 | A176-A180 WeakPolarHBondContact O-CB 3.48Å; A176-A180 PolarHBondContact O-N 3.01Å; K177-A180 PolarHBondContact O-N 2.95Å; A180-L183 PolarHBondContact O-N 3.04Å; A180-T184 WeakPolarHBondContact O-CB 3.35Å; A180-T184 VanDerWaalsContact O-CG2 3.28Å; A180-T184 WeakPolarHBondContact O-CG2 3.25Å; A180-T184 PolarHBondContact O-N 3.08Å; A180-T184 VanDerWaalsContact O-N 3.15Å; A180-T184 PolarHBondContact O-OG1 3.04Å; A180-F213 HydrophobicContact CB-CB 3.33Å; A180-F213 HydrophobicContact CB-CG 4.42Å; A180-L214 HydrophobicContact CB-CD2 3.81Å |
| 181 | A | 94.6 | Very high | 94.2 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 19% | 0.19 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K177 K178 I179 T184 D185 S186 | K177-A181 WeakPolarHBondContact O-CB 3.45Å; K177-A181 PolarHBondContact O-N 3.16Å; K178-A181 PolarHBondContact O-N 3Å; I179-A181 VanDerWaalsContact C-N 3.25Å; I179-A181 PolarHBondContact O-N 3.06Å; A181-T184 PolarHBondContact O-N 3.22Å; A181-T184 PolarHBondContact O-OG1 3.39Å; A181-D185 PolarHBondContact O-N 3.38Å; A181-D185 VanDerWaalsContact O-N 3.1Å; A181-S186 WeakPolarHBondContact O-CB 3.33Å; A181-S186 PolarHBondContact O-N 3.46Å; A181-S186 PolarHBondContact O-OG 3.02Å |
| 182 | V | 92.3 | Very high | 94.4 | Very high | 37 Ų | 37 | 34.3 Ų | 34.3 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | W76 K178 I179 T184 F187 | W76-V182 HydrophobicContact CD2-CG2 4.09Å; W76-V182 VanDerWaalsContact CE2-CG2 3.44Å; W76-V182 HydrophobicContact CH2-CG2 3.95Å; W76-V182 HydrophobicContact CZ2-CG2 3.37Å; K178-V182 PolarHBondContact O-N 3.45Å; I179-V182 PolarHBondContact O-N 3.29Å; V182-T184 PolarHBondContact O-N 3.37Å; V182-F187 HydrophobicContact CG1-CB 3.92Å |
| 183 | L | 91.9 | Very high | 94.6 | Very high | 44 Ų | 44 | 31.6 Ų | 31.6 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.3 | -20 | -179.9 | -66.6 | 178.2 | 0 | 0 | 0 | 113.8 | I179 A180 V191 I194 L214 I218 | I179-L183 HydrophobicContact CG2-CD1 3.77Å; I179-L183 HydrophobicContact CG2-CG 4.3Å; I179-L183 WeakPolarHBondContact O-CG 3.45Å; I179-L183 PolarHBondContact O-N 3.44Å; I179-L183 VanDerWaalsContact O-N 3.09Å; A180-L183 PolarHBondContact O-N 3.04Å; L183-V191 HydrophobicContact CD2-CG2 3.98Å; L183-I194 HydrophobicContact CD1-CD1 3.92Å; L183-I194 HydrophobicContact CD2-CD1 4.03Å; L183-L214 HydrophobicContact CD1-CD2 4.19Å; L183-I218 VanDerWaalsContact O-CD1 3.28Å; L183-I218 WeakPolarHBondContact O-CD1 3.29Å; L183-I218 WeakPolarHBondContact O-CG1 3.43Å |
| 184 | T | 90.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 23% | 0.227 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -111 | -62.9 | -170.6 | 55.2 | 0 | 0 | 0 | 0 | 114 | R59 A180 A181 V182 T215 I218 | R59-T184 PolarHBondContact NH2-O 3.39Å; A180-T184 WeakPolarHBondContact O-CB 3.35Å; A180-T184 VanDerWaalsContact O-CG2 3.28Å; A180-T184 WeakPolarHBondContact O-CG2 3.25Å; A180-T184 PolarHBondContact O-N 3.08Å; A180-T184 VanDerWaalsContact O-N 3.15Å; A180-T184 PolarHBondContact O-OG1 3.04Å; A181-T184 PolarHBondContact O-N 3.22Å; A181-T184 PolarHBondContact O-OG1 3.39Å; V182-T184 PolarHBondContact O-N 3.37Å; T184-T215 HydrophobicContact CG2-CG2 3.83Å; T184-I218 HydrophobicContact CG2-CG1 3.94Å |
| 185 | D | 93.8 | Very high | 95.1 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 14% | 0.139 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -149.8 | 25.7 | -168.2 | -152.4 | 33.7 | 0 | 0 | 0 | 114.4 | R59 R68 L69 N72 A181 | R59-D185 IonicContact CZ-OD1 3.86Å; R59-D185 IonicContact NE-OD1 3.64Å; R59-D185 PolarHBondContact NE-OD1 2.94Å; R59-D185 IonicContact NH2-OD1 3.3Å; R59-D185 PolarHBondContact NH2-OD1 3.23Å; R68-D185 IonicContact CZ-OD2 3.9Å; R68-D185 IonicContact NE-OD2 3.23Å; R68-D185 PolarHBondContact NE-OD2 3.2Å; R68-D185 IonicContact NH2-OD2 3.35Å; R68-D185 PolarHBondContact NH2-OD2 3.13Å; L69-D185 VanDerWaalsContact CD1-C 3.44Å; L69-D185 WeakPolarHBondContact CD1-O 3.45Å; N72-D185 WeakPolarHBondContact CB-O 3.37Å; N72-D185 PolarHBondContact ND2-O 3.1Å; N72-D185 PolarHBondContact ND2-OD2 3.39Å; A181-D185 PolarHBondContact O-N 3.38Å; A181-D185 VanDerWaalsContact O-N 3.1Å |
| 186 | S | 95 | Very high | 95.4 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 8% | 0.084 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -126.4 | 0.1 | -179.2 | -45.1 | 0 | 0 | 0 | 0 | 115.2 | Y73 A181 | Y73-S186 WeakPolarHBondContact CA-O 3.25Å; A181-S186 WeakPolarHBondContact O-CB 3.33Å; A181-S186 PolarHBondContact O-N 3.46Å; A181-S186 PolarHBondContact O-OG 3.02Å |
| 187 | F | 96.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 2% | 0.022 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -139.1 | 140.3 | 174.2 | -161.1 | -85.7 | 0 | 0 | 0 | 111.1 | Y73 L137 E141 V144 V182 L189 | Y73-F187 HydrophobicContact CD2-CD2 4.2Å; Y73-F187 AromaticContact CE2-CD2 3.98Å; Y73-F187 HydrophobicContact CE2-CD2 3.98Å; Y73-F187 AromaticContact CE2-CE2 3.92Å; Y73-F187 HydrophobicContact CE2-CE2 3.92Å; L137-F187 HydrophobicContact CD1-CD2 3.93Å; L137-F187 HydrophobicContact CD1-CE2 3.61Å; E141-F187 HydrophobicContact CG-CE2 4.09Å; E141-F187 HydrophobicContact CG-CZ 4Å; E141-F187 WeakPolarHBondContact OE1-CE2 3.46Å; V144-F187 HydrophobicContact CB-CE1 4.3Å; V144-F187 HydrophobicContact CG1-CE1 4.43Å; V144-F187 HydrophobicContact CG1-CZ 4.48Å; V182-F187 HydrophobicContact CG1-CB 3.92Å; F187-L189 HydrophobicContact CD1-CB 4Å; F187-L189 HydrophobicContact CD1-CD1 3.81Å; F187-L189 HydrophobicContact CD1-CG 3.73Å; F187-L189 HydrophobicContact CE1-CB 4.47Å; F187-L189 HydrophobicContact CE1-CD1 3.6Å; F187-L189 HydrophobicContact CE1-CG 3.7Å; F187-L189 PolarHBondContact O-N 2.81Å |
| 188 | P | 97 | Very high | 95.9 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -78.4 | 47 | -175.7 | 32.9 | -36.4 | 0 | 0 | 0 | 114.5 | R54 F55 A58 L69 V144 | R54-P188 HydrophobicContact CB-CB 3.94Å; R54-P188 HydrophobicContact CB-CG 4.14Å; F55-P188 HydrophobicContact CD1-CB 4.09Å; F55-P188 HydrophobicContact CE1-CB 4.06Å; F55-P188 HydrophobicContact CE1-CG 4.02Å; F55-P188 HydrophobicContact CE2-CG 4.27Å; F55-P188 HydrophobicContact CG-CB 4.33Å; F55-P188 HydrophobicContact CZ-CB 4.31Å; F55-P188 HydrophobicContact CZ-CG 3.88Å; A58-P188 HydrophobicContact CB-CB 4.19Å; L69-P188 HydrophobicContact CD2-CB 4.2Å; V144-P188 HydrophobicContact CG2-CG 4.22Å; V144-P188 WeakPolarHBondContact CG2-O 3.47Å |
| 189 | L | 97.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 8% | 0.084 | 11% | 0.106 | C | C | . | . | trans | -122.2 | 141.2 | 169.7 | -74.2 | 173.4 | 0 | 0 | 0 | 110.9 | I143 V144 T149 V154 F187 V191 | I143-L189 HydrophobicContact CD1-CD1 4.09Å; I143-L189 HydrophobicContact CG1-CD1 4.08Å; V144-L189 HydrophobicContact CB-CD2 3.93Å; V144-L189 HydrophobicContact CB-CG 4.22Å; V144-L189 HydrophobicContact CG2-CD2 3.84Å; V144-L189 HydrophobicContact CG2-CG 4.14Å; T149-L189 HydrophobicContact CG2-CD2 3.68Å; V154-L189 HydrophobicContact CG1-CD1 4.24Å; V154-L189 HydrophobicContact CG1-CD2 4.08Å; F187-L189 HydrophobicContact CD1-CB 4Å; F187-L189 HydrophobicContact CD1-CD1 3.81Å; F187-L189 HydrophobicContact CD1-CG 3.73Å; F187-L189 HydrophobicContact CE1-CB 4.47Å; F187-L189 HydrophobicContact CE1-CD1 3.6Å; F187-L189 HydrophobicContact CE1-CG 3.7Å; F187-L189 PolarHBondContact O-N 2.81Å; L189-V191 PolarHBondContact O-N 2.79Å | ||
| 190 | K | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 20.9 Ų | 20.9 | 7% | 0.074 | 11% | 0.112 | C | C | . | . | trans | -87.6 | 104.6 | 173.7 | -59.8 | 177.1 | -167.3 | 176.5 | 0 | 108.9 | N15 R57 D60 R151 G153 V154 R192 | N15-K190 PolarHBondContact ND2-NZ 2.92Å; R57-K190 WeakPolarHBondContact O-CE 3.22Å; R57-K190 PolarHBondContact O-NZ 3.06Å; D60-K190 IonicContact OD1-NZ 3.73Å; D60-K190 PolarHBondContact OD1-NZ 3.48Å; R151-K190 PolarHBondContact O-NZ 2.89Å; G153-K190 CarbonylContact C-O 3.25Å; G153-K190 WeakPolarHBondContact CA-O 3.38Å; V154-K190 PolarHBondContact N-O 2.99Å; K190-R192 PolarHBondContact O-N 3.03Å; K190-R192 VanDerWaalsContact O-N 3.11Å | ||
| 191 | V | 98.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 26.5 Ų | 26.5 | 10% | 0.097 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 105.3 | 171.8 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | L183 L189 I194 I218 R221 | L183-V191 HydrophobicContact CD2-CG2 3.98Å; L189-V191 PolarHBondContact O-N 2.79Å; V191-I194 HydrophobicContact CG1-CD1 3.99Å; V191-I194 HydrophobicContact CG1-CG1 3.75Å; V191-I218 HydrophobicContact CB-CD1 4Å; V191-I218 HydrophobicContact CG1-CD1 4.34Å; V191-R221 WeakPolarHBondContact O-CD 3.48Å; V191-R221 PolarHBondContact O-NH1 2.58Å |
| 192 | R | 98.4 | Very high | 96 | Very high | 91 Ų | 91 | 29.1 Ų | 29.1 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -23.4 | -177.4 | -65.1 | -63.2 | -171 | 157.2 | -0.6 | 113.6 | R151 N152 V154 K155 K190 | R151-R192 PolarHBondContact O-NH2 2.95Å; N152-R192 WeakPolarHBondContact O-CG 3.42Å; N152-R192 PolarHBondContact O-NE 2.99Å; V154-R192 WeakPolarHBondContact O-CB 3.46Å; V154-R192 PolarHBondContact O-N 2.86Å; K155-R192 HydrophobicContact CG-CB 3.97Å; K190-R192 PolarHBondContact O-N 3.03Å; K190-R192 VanDerWaalsContact O-N 3.11Å |
| 193 | G | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | 141.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | K155 A156 R221 | K155-G193 VanDerWaalsContact CA-O 3.28Å; K155-G193 WeakPolarHBondContact CA-O 3.26Å; A156-G193 PolarHBondContact N-O 2.95Å; G193-R221 CarbonylContact C-O 3.55Å; G193-R221 WeakPolarHBondContact CA-O 3.3Å |
| 194 | I | 98.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 116.8 | 169.9 | -59.6 | 174.3 | 0 | 0 | 0 | 106 | A156 F158 L183 V191 L196 I218 R221 I222 H223 | A156-I194 CarbonylContact O-C 3.57Å; A156-I194 WeakPolarHBondContact O-CA 3.48Å; F158-I194 HydrophobicContact CD2-CG2 4Å; F158-I194 HydrophobicContact CE2-CG2 4.02Å; L183-I194 HydrophobicContact CD1-CD1 3.92Å; L183-I194 HydrophobicContact CD2-CD1 4.03Å; V191-I194 HydrophobicContact CG1-CD1 3.99Å; V191-I194 HydrophobicContact CG1-CG1 3.75Å; I194-L196 HydrophobicContact CG2-CD2 3.9Å; I194-L196 HydrophobicContact CG2-CG 4.39Å; I194-I218 HydrophobicContact CD1-CG2 4.48Å; I194-R221 PolarHBondContact N-O 3.22Å; I194-I222 HydrophobicContact CB-CG1 4.02Å; I194-I222 HydrophobicContact CD1-CG1 4.07Å; I194-I222 CarbonylContact O-C 3.53Å; I194-I222 WeakPolarHBondContact O-CA 3.36Å; I194-H223 PolarHBondContact O-N 3.11Å |
| 195 | H | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 114.8 | -175.3 | -63.2 | -94.3 | 0 | 0 | 0 | 108.1 | A156 I157 F158 H223 H225 L233 H236 F237 | A156-H195 PolarHBondContact O-N 3.44Å; I157-H195 CarbonylContact C-O 3.57Å; I157-H195 WeakPolarHBondContact CA-O 3.46Å; I157-H195 HydrophobicContact CG1-CB 4.21Å; F158-H195 PolarHBondContact N-O 2.63Å; H195-H223 AromaticContact CE1-CD2 3.44Å; H195-H223 PolarHBondContact CE1-CD2 2.99Å; H195-H223 VanDerWaalsContact CE1-CD2 3.44Å; H195-H223 AromaticContact CE1-CG 3.82Å; H195-H223 AromaticContact ND1-CD2 3.81Å; H195-H223 AromaticContact ND1-CG 3.88Å; H195-H223 AromaticContact NE2-CD2 3.83Å; H195-H225 AromaticContact CG-NE2 3.64Å; H195-H225 AromaticContact ND1-CE1 3.68Å; H195-H225 AromaticContact ND1-NE2 2.93Å; H195-H225 PolarHBondContact ND1-NE2 2.97Å; H195-L233 HydrophobicContact CB-CD1 4.1Å; H195-H236 AromaticContact CE1-CD2 3.73Å; H195-H236 AromaticContact CE1-CE1 3.92Å; H195-H236 AromaticContact CE1-CG 3.56Å; H195-H236 AromaticContact CE1-ND1 3.69Å; H195-H236 AromaticContact CE1-NE2 3.95Å; H195-F237 HydrophobicContact CB-CE2 4.48Å; H195-F237 AromaticContact CD2-CE2 3.68Å; H195-F237 AromaticContact CD2-CZ 3.49Å; H195-F237 VanDerWaalsContact CD2-CZ 3.49Å; H195-F237 WeakPolarHBondContact CD2-CZ 3.4Å; H195-F237 AromaticContact CE1-CE2 3.97Å; H195-F237 AromaticContact CG-CE2 3.79Å; H195-F237 AromaticContact ND1-CE2 3.97Å; H195-F237 AromaticContact NE2-CE2 3.82Å; H195-F237 AromaticContact NE2-CZ 3.54Å |
| 196 | L | 98.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.4 | 177.2 | -52 | -178.4 | 0 | 0 | 0 | 107.4 | F158 L160 I194 F203 I222 H223 L224 H225 | F158-L196 HydrophobicContact CB-CD2 3.65Å; F158-L196 HydrophobicContact CD2-CD2 3.8Å; F158-L196 HydrophobicContact CG-CD2 4Å; L160-L196 HydrophobicContact CD1-CB 4.14Å; L160-L196 HydrophobicContact CD1-CD1 4.49Å; L160-L196 HydrophobicContact CD1-CD2 4.34Å; I194-L196 HydrophobicContact CG2-CD2 3.9Å; I194-L196 HydrophobicContact CG2-CG 4.39Å; L196-F203 HydrophobicContact CD1-CE1 3.59Å; L196-F203 HydrophobicContact CD1-CZ 4Å; L196-I222 HydrophobicContact CD1-CG2 4.28Å; L196-H223 PolarHBondContact N-O 3.11Å; L196-L224 HydrophobicContact CB-CD2 3.85Å; L196-L224 HydrophobicContact CD1-CD2 3.41Å; L196-L224 VanDerWaalsContact CD1-CD2 3.41Å; L196-L224 HydrophobicContact CG-CD2 4.05Å; L196-H225 WeakPolarHBondContact O-CB 3.49Å; L196-H225 PolarHBondContact O-CD2 2.91Å; L196-H225 PolarHBondContact O-N 3.05Å |
| 197 | I | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 154.4 | 176.8 | 68.9 | 176.3 | 0 | 0 | 0 | 108.9 | I157 F158 D159 L160 E199 H225 Y229 L233 Y245 | I157-I197 HydrophobicContact CG2-CD1 4.31Å; F158-I197 PolarHBondContact O-N 2.91Å; D159-I197 HydrophobicContact CB-CD1 3.98Å; D159-I197 HydrophobicContact CB-CG1 3.94Å; L160-I197 WeakPolarHBondContact CB-O 3.3Å; L160-I197 PolarHBondContact N-O 2.93Å; I197-E199 PolarHBondContact O-N 2.79Å; I197-E199 VanDerWaalsContact O-N 3.13Å; I197-H225 HydrophobicContact CG2-CB 4Å; I197-Y229 HydrophobicContact CB-CD1 3.8Å; I197-Y229 HydrophobicContact CB-CD2 4.21Å; I197-Y229 HydrophobicContact CB-CE1 4.44Å; I197-Y229 HydrophobicContact CB-CG 3.67Å; I197-Y229 HydrophobicContact CD1-CD1 4.33Å; I197-Y229 HydrophobicContact CD1-CD2 3.98Å; I197-Y229 HydrophobicContact CD1-CE1 4.21Å; I197-Y229 HydrophobicContact CD1-CE2 3.84Å; I197-Y229 HydrophobicContact CD1-CG 4.24Å; I197-Y229 HydrophobicContact CG1-CD1 4.44Å; I197-Y229 HydrophobicContact CG1-CG 4.48Å; I197-Y229 HydrophobicContact CG2-CD1 4.41Å; I197-Y229 HydrophobicContact CG2-CD2 4.04Å; I197-Y229 HydrophobicContact CG2-CG 3.77Å; I197-L233 HydrophobicContact CD1-CD2 4.37Å; I197-L233 HydrophobicContact CG2-CD1 4.11Å; I197-L233 HydrophobicContact CG2-CD2 4.22Å; I197-Y245 HydrophobicContact CD1-CD1 3.77Å; I197-Y245 HydrophobicContact CD1-CE1 3.69Å |
| 198 | N | 98.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 54.5 | 29.9 | -179.7 | -59 | -41.5 | 0 | 0 | 0 | 113.5 | D159 L160 E161 P200 G226 Y229 | D159-N198 PolarHBondContact OD1-ND2 3.35Å; L160-N198 CarbonylContact C-O 3.44Å; E161-N198 HydrophobicContact CB-CB 3.8Å; N198-P200 VanDerWaalsContact O-CD 3.25Å; N198-P200 WeakPolarHBondContact O-CD 3.15Å; N198-G226 PolarHBondContact N-O 2.84Å; N198-Y229 WeakPolarHBondContact ND2-CE1 3.28Å; N198-Y229 WeakPolarHBondContact OD1-CD1 3.4Å; N198-Y229 WeakPolarHBondContact OD1-CE1 3.43Å |
| 199 | E | 97.6 | Very high | 95.8 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | trans | -66.9 | 118.5 | -178.9 | 70.3 | -76 | -175.9 | 0 | 0 | 111.2 | L160 I197 F203 L224 G226 | L160-E199 HydrophobicContact CB-CB 4.48Å; L160-E199 HydrophobicContact CD1-CB 3.73Å; I197-E199 PolarHBondContact O-N 2.79Å; I197-E199 VanDerWaalsContact O-N 3.13Å; E199-F203 HydrophobicContact CB-CD1 4.2Å; E199-L224 HydrophobicContact CG-CD2 4.33Å; E199-G226 VanDerWaalsContact CD-N 3.3Å; E199-G226 VanDerWaalsContact OE1-CA 3.26Å; E199-G226 WeakPolarHBondContact OE1-CA 3.24Å; E199-G226 PolarHBondContact OE1-N 2.8Å; E199-G226 VanDerWaalsContact OE2-CA 3.3Å; E199-G226 WeakPolarHBondContact OE2-CA 3.28Å; E199-G226 PolarHBondContact OE2-N 2.83Å | ||
| 200 | P | 95.2 | Very high | 95.6 | Very high | 40 Ų | 40 | 38 Ų | 38 | 26% | 0.26 | 21% | 0.21 | S | C | . | . | trans | -76.9 | 156.5 | 175.7 | 32.3 | -35.9 | 0 | 0 | 0 | 110.3 | W163 N198 I202 F203 | W163-P200 HydrophobicContact CB-CG 3.77Å; W163-P200 HydrophobicContact CG-CG 4.02Å; N198-P200 VanDerWaalsContact O-CD 3.25Å; N198-P200 WeakPolarHBondContact O-CD 3.15Å; P200-I202 HydrophobicContact CB-CG2 4.24Å; P200-I202 HydrophobicContact CG-CG2 3.99Å; P200-I202 PolarHBondContact O-N 3.02Å; P200-F203 HydrophobicContact CG-CB 4.15Å; P200-F203 VanDerWaalsContact O-CB 3.24Å; P200-F203 WeakPolarHBondContact O-CB 3.36Å; P200-F203 PolarHBondContact O-N 3.17Å | ||
| 201 | V | 92.1 | Very high | 95.5 | Very high | 120 Ų | 120 | 42 Ų | 42 | 73% | 0.727 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -36.8 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | F203 H204 | V201-F203 PolarHBondContact O-N 3.39Å; V201-H204 WeakPolarHBondContact O-CB 3.49Å; V201-H204 PolarHBondContact O-CD2 3.05Å; V201-H204 VanDerWaalsContact O-CD2 3.25Å; V201-H204 PolarHBondContact O-N 3.27Å |
| 202 | I | 90.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -23.5 | -179.8 | -161.6 | 161.8 | 0 | 0 | 0 | 113.8 | I165 P200 H204 A205 | I165-I202 HydrophobicContact CD1-CD1 3.9Å; I165-I202 HydrophobicContact CG1-CD1 3.36Å; P200-I202 HydrophobicContact CB-CG2 4.24Å; P200-I202 HydrophobicContact CG-CG2 3.99Å; P200-I202 PolarHBondContact O-N 3.02Å; I202-H204 PolarHBondContact O-N 2.8Å; I202-A205 PolarHBondContact O-N 2.89Å |
| 203 | F | 93 | Very high | 95.3 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -26 | 175.8 | 177.8 | -99.1 | 0 | 0 | 0 | 112.1 | L160 W163 L196 E199 P200 V201 A205 V206 F207 | L160-F203 HydrophobicContact CD1-CD1 3.76Å; L160-F203 HydrophobicContact CD1-CD2 3.84Å; L160-F203 HydrophobicContact CD1-CE1 3.73Å; L160-F203 HydrophobicContact CD1-CE2 3.79Å; L160-F203 HydrophobicContact CD1-CG 3.83Å; L160-F203 HydrophobicContact CD1-CZ 3.73Å; L160-F203 HydrophobicContact CD2-CE2 4.29Å; W163-F203 AromaticContact CD2-CD2 3.97Å; W163-F203 HydrophobicContact CD2-CD2 3.97Å; W163-F203 AromaticContact CE3-CD2 3.99Å; W163-F203 HydrophobicContact CE3-CD2 3.99Å; W163-F203 HydrophobicContact CE3-CE2 4.37Å; W163-F203 HydrophobicContact CH2-CD2 4.23Å; W163-F203 HydrophobicContact CH2-CE2 4.35Å; W163-F203 HydrophobicContact CZ2-CD2 4.16Å; W163-F203 HydrophobicContact CZ3-CD2 4.13Å; W163-F203 HydrophobicContact CZ3-CE2 4.16Å; L196-F203 HydrophobicContact CD1-CE1 3.59Å; L196-F203 HydrophobicContact CD1-CZ 4Å; E199-F203 HydrophobicContact CB-CD1 4.2Å; P200-F203 HydrophobicContact CG-CB 4.15Å; P200-F203 VanDerWaalsContact O-CB 3.24Å; P200-F203 WeakPolarHBondContact O-CB 3.36Å; P200-F203 PolarHBondContact O-N 3.17Å; V201-F203 PolarHBondContact O-N 3.39Å; F203-A205 PolarHBondContact O-N 3.1Å; F203-A205 VanDerWaalsContact O-N 3.15Å; F203-V206 HydrophobicContact CE2-CG1 4.46Å; F203-V206 PolarHBondContact O-N 2.84Å; F203-F207 HydrophobicContact CD1-CB 4.3Å; F203-F207 HydrophobicContact CE1-CB 3.9Å; F203-F207 HydrophobicContact CE1-CG 4.47Å; F203-F207 HydrophobicContact CZ-CB 4.49Å; F203-F207 PolarHBondContact O-N 3.44Å |
| 204 | H | 91.4 | Very high | 95.1 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 38% | 0.375 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -29.9 | 178.7 | -71.1 | -57.6 | 0 | 0 | 0 | 113.8 | V201 I202 S208 | V201-H204 WeakPolarHBondContact O-CB 3.49Å; V201-H204 PolarHBondContact O-CD2 3.05Å; V201-H204 VanDerWaalsContact O-CD2 3.25Å; V201-H204 PolarHBondContact O-N 3.27Å; I202-H204 PolarHBondContact O-N 2.8Å; H204-S208 VanDerWaalsContact O-CB 3.27Å; H204-S208 WeakPolarHBondContact O-CB 3.44Å; H204-S208 PolarHBondContact O-N 2.93Å; H204-S208 PolarHBondContact O-OG 3.39Å |
| 205 | A | 91.8 | Very high | 95 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I202 F203 S208 M209 | I202-A205 PolarHBondContact O-N 2.89Å; F203-A205 PolarHBondContact O-N 3.1Å; F203-A205 VanDerWaalsContact O-N 3.15Å; A205-S208 PolarHBondContact O-N 3Å; A205-M209 PolarHBondContact O-N 3.06Å; A205-M209 VanDerWaalsContact O-N 3.16Å |
| 206 | V | 93.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 176.4 | 175 | 0 | 0 | 0 | 0 | 110.9 | W163 A168 I171 F203 S208 M209 I210 | W163-V206 HydrophobicContact CH2-CG1 4.38Å; W163-V206 HydrophobicContact CZ2-CB 4.39Å; W163-V206 HydrophobicContact CZ2-CG1 4.45Å; W163-V206 HydrophobicContact CZ2-CG2 3.86Å; A168-V206 HydrophobicContact CB-CG2 3.71Å; I171-V206 HydrophobicContact CB-CG1 3.99Å; I171-V206 HydrophobicContact CG1-CG1 4.07Å; I171-V206 HydrophobicContact CG2-CG1 3.77Å; F203-V206 HydrophobicContact CE2-CG1 4.46Å; F203-V206 PolarHBondContact O-N 2.84Å; V206-S208 VanDerWaalsContact C-N 3.29Å; V206-S208 PolarHBondContact O-N 2.62Å; V206-M209 WeakPolarHBondContact O-CB 3.41Å; V206-M209 PolarHBondContact O-N 2.66Å; V206-I210 HydrophobicContact CG1-CD1 4.1Å; V206-I210 PolarHBondContact O-N 3.24Å; V206-I210 VanDerWaalsContact O-N 3.16Å |
| 207 | F | 93.8 | Very high | 94.8 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 175.3 | -175.4 | -115.7 | 0 | 0 | 0 | 112.1 | F203 M209 I210 K211 I222 | F203-F207 HydrophobicContact CD1-CB 4.3Å; F203-F207 HydrophobicContact CE1-CB 3.9Å; F203-F207 HydrophobicContact CE1-CG 4.47Å; F203-F207 HydrophobicContact CZ-CB 4.49Å; F203-F207 PolarHBondContact O-N 3.44Å; F207-M209 PolarHBondContact O-N 3.12Å; F207-I210 PolarHBondContact O-N 2.93Å; F207-I210 VanDerWaalsContact O-N 3.15Å; F207-K211 HydrophobicContact CE1-CD 4.04Å; F207-K211 VanDerWaalsContact O-CB 3.28Å; F207-K211 WeakPolarHBondContact O-CB 3.24Å; F207-K211 PolarHBondContact O-N 3.41Å; F207-I222 HydrophobicContact CE2-CD1 3.92Å; F207-I222 HydrophobicContact CE2-CG2 4.06Å; F207-I222 HydrophobicContact CZ-CD1 4.2Å; F207-I222 HydrophobicContact CZ-CG2 4.09Å |
| 208 | S | 94.3 | Very high | 94.8 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 51% | 0.51 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -26.8 | 175.5 | -62.8 | 0 | 0 | 0 | 0 | 113.2 | H204 A205 V206 P212 | H204-S208 VanDerWaalsContact O-CB 3.27Å; H204-S208 WeakPolarHBondContact O-CB 3.44Å; H204-S208 PolarHBondContact O-N 2.93Å; H204-S208 PolarHBondContact O-OG 3.39Å; A205-S208 PolarHBondContact O-N 3Å; V206-S208 VanDerWaalsContact C-N 3.29Å; V206-S208 PolarHBondContact O-N 2.62Å; S208-P212 WeakPolarHBondContact O-CD 3.39Å |
| 209 | M | 95 | Very high | 94.7 | Very high | 67 Ų | 67 | 63 Ų | 63 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -74.9 | -36.8 | 173.8 | -168.3 | -174.5 | -58.3 | 0 | 0 | 112.3 | P173 A176 A205 V206 F207 F213 | P173-M209 HydrophobicContact CB-SD 4.44Å; P173-M209 HydrophobicContact CG-SD 3.96Å; A176-M209 HydrophobicContact CB-CG 4.12Å; A176-M209 HydrophobicContact CB-SD 4.25Å; A205-M209 PolarHBondContact O-N 3.06Å; A205-M209 VanDerWaalsContact O-N 3.16Å; V206-M209 WeakPolarHBondContact O-CB 3.41Å; V206-M209 PolarHBondContact O-N 2.66Å; F207-M209 PolarHBondContact O-N 3.12Å; M209-F213 WeakPolarHBondContact O-CD2 3.47Å; M209-F213 VanDerWaalsContact O-CE2 3.28Å; M209-F213 WeakPolarHBondContact O-CE2 3.33Å |
| 210 | I | 94.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 64.8 Ų | 64.8 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -79.9 | -40.9 | -178.6 | -60.2 | 165.7 | 0 | 0 | 0 | 111.2 | A176 I179 V206 F207 P212 F213 L214 | A176-I210 HydrophobicContact CB-CG1 3.8Å; I179-I210 HydrophobicContact CD1-CD1 4.09Å; V206-I210 HydrophobicContact CG1-CD1 4.1Å; V206-I210 PolarHBondContact O-N 3.24Å; V206-I210 VanDerWaalsContact O-N 3.16Å; F207-I210 PolarHBondContact O-N 2.93Å; F207-I210 VanDerWaalsContact O-N 3.15Å; I210-P212 VanDerWaalsContact O-N 3.16Å; I210-F213 PolarHBondContact O-N 3.49Å; I210-L214 HydrophobicContact CG2-CD1 4.22Å; I210-L214 HydrophobicContact CG2-CD2 4.15Å; I210-L214 HydrophobicContact CG2-CG 4.16Å |
| 211 | K | 94.1 | Very high | 94.9 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -49.7 | -40.8 | -171.9 | -174.7 | 179.3 | -176.5 | 179.9 | 0 | 115 | F207 F213 L214 K219 | F207-K211 HydrophobicContact CE1-CD 4.04Å; F207-K211 VanDerWaalsContact O-CB 3.28Å; F207-K211 WeakPolarHBondContact O-CB 3.24Å; F207-K211 PolarHBondContact O-N 3.41Å; K211-F213 PolarHBondContact O-N 3.26Å; K211-L214 PolarHBondContact O-N 3.18Å; K211-L214 VanDerWaalsContact O-N 3.16Å; K211-K219 HydrophobicContact CG-CD 4.39Å; K211-K219 WeakPolarHBondContact O-CE 3.44Å |
| 212 | P | 96.4 | Very high | 95.2 | Very high | 93 Ų | 93 | 61 Ų | 61 | 60% | 0.604 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -61.4 | -26.6 | 179.5 | -25.3 | 36 | 0 | 0 | 0 | 114.1 | S208 I210 | S208-P212 WeakPolarHBondContact O-CD 3.39Å; I210-P212 VanDerWaalsContact O-N 3.16Å |
| 213 | F | 95.8 | Very high | 95.6 | Very high | 93 Ų | 93 | 60.1 Ų | 60.1 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -88.2 | -8.2 | -179.6 | -53.7 | -65.2 | 0 | 0 | 0 | 113.3 | A176 A180 M209 I210 K211 | A176-F213 HydrophobicContact CB-CD2 4.46Å; A176-F213 HydrophobicContact CB-CE2 4.34Å; A180-F213 HydrophobicContact CB-CB 3.33Å; A180-F213 HydrophobicContact CB-CG 4.42Å; M209-F213 WeakPolarHBondContact O-CD2 3.47Å; M209-F213 VanDerWaalsContact O-CE2 3.28Å; M209-F213 WeakPolarHBondContact O-CE2 3.33Å; I210-F213 PolarHBondContact O-N 3.49Å; K211-F213 PolarHBondContact O-N 3.26Å |
| 214 | L | 95.9 | Very high | 95.8 | Very high | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -85.3 | 144.1 | -179.6 | -58.8 | -179.7 | 0 | 0 | 0 | 111.3 | A180 L183 I210 K211 I218 K219 I222 | A180-L214 HydrophobicContact CB-CD2 3.81Å; L183-L214 HydrophobicContact CD1-CD2 4.19Å; I210-L214 HydrophobicContact CG2-CD1 4.22Å; I210-L214 HydrophobicContact CG2-CD2 4.15Å; I210-L214 HydrophobicContact CG2-CG 4.16Å; K211-L214 PolarHBondContact O-N 3.18Å; K211-L214 VanDerWaalsContact O-N 3.16Å; L214-I218 HydrophobicContact CD1-CG2 4.37Å; L214-I218 HydrophobicContact CD2-CG2 4.12Å; L214-K219 HydrophobicContact CB-CG 3.88Å; L214-K219 WeakPolarHBondContact O-CE 3.41Å; L214-K219 PolarHBondContact O-NZ 3.33Å; L214-I222 HydrophobicContact CD1-CD1 3.5Å; L214-I222 VanDerWaalsContact CD1-CD1 3.5Å |
| 215 | T | 96.5 | Very high | 96.1 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | trans | -73.1 | 155 | 169.4 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | T184 K217 I218 K219 | T184-T215 HydrophobicContact CG2-CG2 3.83Å; T215-K217 PolarHBondContact O-N 3.4Å; T215-I218 PolarHBondContact O-N 3.41Å; T215-I218 PolarHBondContact OG1-N 3.49Å; T215-K219 WeakPolarHBondContact O-CG 3.41Å; T215-K219 PolarHBondContact O-N 2.95Å | ||
| 216 | E | 97.1 | Very high | 96.4 | Very high | 136 Ų | 136 | 58 Ų | 58 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56.6 | -35 | 176.2 | -64.4 | -49.7 | 122.8 | 0 | 0 | 112.5 | I218 K219 G220 | E216-I218 VanDerWaalsContact C-N 3.32Å; E216-I218 PolarHBondContact O-N 3.28Å; E216-K219 PolarHBondContact O-N 2.99Å; E216-K219 WeakPolarHBondContact OE1-CD 3.48Å; E216-K219 IonicContact OE1-NZ 3.67Å; E216-K219 PolarHBondContact OE1-NZ 3.39Å; E216-G220 PolarHBondContact O-N 3.02Å |
| 217 | K | 96.3 | Very high | 96.6 | Very high | 134 Ų | 134 | 63.1 Ų | 63.1 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.1 | -39.9 | 174.6 | -177.6 | 177.5 | -179.7 | 177 | 0 | 112.8 | T215 R221 | T215-K217 PolarHBondContact O-N 3.4Å; K217-R221 VanDerWaalsContact CE-CZ 3.47Å; K217-R221 WeakPolarHBondContact O-CD 3.35Å; K217-R221 VanDerWaalsContact O-CG 3.29Å; K217-R221 WeakPolarHBondContact O-CG 3.46Å |
| 218 | I | 97.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -80.3 | -38.5 | 178.2 | -64.3 | -58.3 | 0 | 0 | 0 | 111 | L183 T184 V191 I194 L214 T215 E216 G220 R221 I222 | L183-I218 VanDerWaalsContact O-CD1 3.28Å; L183-I218 WeakPolarHBondContact O-CD1 3.29Å; L183-I218 WeakPolarHBondContact O-CG1 3.43Å; T184-I218 HydrophobicContact CG2-CG1 3.94Å; V191-I218 HydrophobicContact CB-CD1 4Å; V191-I218 HydrophobicContact CG1-CD1 4.34Å; I194-I218 HydrophobicContact CD1-CG2 4.48Å; L214-I218 HydrophobicContact CD1-CG2 4.37Å; L214-I218 HydrophobicContact CD2-CG2 4.12Å; T215-I218 PolarHBondContact O-N 3.41Å; T215-I218 PolarHBondContact OG1-N 3.49Å; E216-I218 VanDerWaalsContact C-N 3.32Å; E216-I218 PolarHBondContact O-N 3.28Å; I218-G220 VanDerWaalsContact C-N 3.28Å; I218-G220 PolarHBondContact O-N 2.97Å; I218-R221 WeakPolarHBondContact O-CA 3.38Å; I218-R221 WeakPolarHBondContact O-CB 3.48Å; I218-R221 PolarHBondContact O-N 3.49Å; I218-I222 HydrophobicContact CG2-CD1 4.32Å; I218-I222 PolarHBondContact O-N 3.34Å |
| 219 | K | 97.7 | Very high | 96.9 | Very high | 53 Ų | 53 | 67.1 Ų | 67.1 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.7 | -43.9 | 174.1 | -68.9 | 175 | -170.4 | 160.4 | 0 | 111.7 | K211 L214 T215 E216 R221 I222 | K211-K219 HydrophobicContact CG-CD 4.39Å; K211-K219 WeakPolarHBondContact O-CE 3.44Å; L214-K219 HydrophobicContact CB-CG 3.88Å; L214-K219 WeakPolarHBondContact O-CE 3.41Å; L214-K219 PolarHBondContact O-NZ 3.33Å; T215-K219 WeakPolarHBondContact O-CG 3.41Å; T215-K219 PolarHBondContact O-N 2.95Å; E216-K219 PolarHBondContact O-N 2.99Å; E216-K219 WeakPolarHBondContact OE1-CD 3.48Å; E216-K219 IonicContact OE1-NZ 3.67Å; E216-K219 PolarHBondContact OE1-NZ 3.39Å; K219-R221 PolarHBondContact O-N 3.45Å; K219-I222 PolarHBondContact O-N 3.49Å |
| 220 | G | 97.9 | Very high | 97 | Very high | 65 Ų | 65 | 67.3 Ų | 67.3 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -3.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | E216 I218 | E216-G220 PolarHBondContact O-N 3.02Å; I218-G220 VanDerWaalsContact C-N 3.28Å; I218-G220 PolarHBondContact O-N 2.97Å |
| 221 | R | 98.3 | Very high | 97.2 | Very high | 53 Ų | 53 | 70.8 Ų | 70.8 | 20% | 0.2 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 3.2 | 176.7 | -69.3 | 173.4 | 178.5 | -176.3 | -6.5 | 112.8 | V191 G193 I194 K217 I218 K219 H223 | V191-R221 WeakPolarHBondContact O-CD 3.48Å; V191-R221 PolarHBondContact O-NH1 2.58Å; G193-R221 CarbonylContact C-O 3.55Å; G193-R221 WeakPolarHBondContact CA-O 3.3Å; I194-R221 PolarHBondContact N-O 3.22Å; K217-R221 VanDerWaalsContact CE-CZ 3.47Å; K217-R221 WeakPolarHBondContact O-CD 3.35Å; K217-R221 VanDerWaalsContact O-CG 3.29Å; K217-R221 WeakPolarHBondContact O-CG 3.46Å; I218-R221 WeakPolarHBondContact O-CA 3.38Å; I218-R221 WeakPolarHBondContact O-CB 3.48Å; I218-R221 PolarHBondContact O-N 3.49Å; K219-R221 PolarHBondContact O-N 3.45Å; R221-H223 PolarHBondContact O-CD2 2.75Å; R221-H223 VanDerWaalsContact O-CD2 3.26Å |
| 222 | I | 98.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.7 | 176.3 | -68.4 | 157.3 | 0 | 0 | 0 | 108.4 | I194 L196 F207 L214 I218 K219 | I194-I222 HydrophobicContact CB-CG1 4.02Å; I194-I222 HydrophobicContact CD1-CG1 4.07Å; I194-I222 CarbonylContact O-C 3.53Å; I194-I222 WeakPolarHBondContact O-CA 3.36Å; L196-I222 HydrophobicContact CD1-CG2 4.28Å; F207-I222 HydrophobicContact CE2-CD1 3.92Å; F207-I222 HydrophobicContact CE2-CG2 4.06Å; F207-I222 HydrophobicContact CZ-CD1 4.2Å; F207-I222 HydrophobicContact CZ-CG2 4.09Å; L214-I222 HydrophobicContact CD1-CD1 3.5Å; L214-I222 VanDerWaalsContact CD1-CD1 3.5Å; I218-I222 HydrophobicContact CG2-CD1 4.32Å; I218-I222 PolarHBondContact O-N 3.34Å; K219-I222 PolarHBondContact O-N 3.49Å |
| 223 | H | 98.3 | Very high | 97.5 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121.8 | -179.7 | -56.2 | -90.4 | 0 | 0 | 0 | 108.5 | I194 H195 L196 R221 H225 | I194-H223 PolarHBondContact O-N 3.11Å; H195-H223 AromaticContact CE1-CD2 3.44Å; H195-H223 PolarHBondContact CE1-CD2 2.99Å; H195-H223 VanDerWaalsContact CE1-CD2 3.44Å; H195-H223 AromaticContact CE1-CG 3.82Å; H195-H223 AromaticContact ND1-CD2 3.81Å; H195-H223 AromaticContact ND1-CG 3.88Å; H195-H223 AromaticContact NE2-CD2 3.83Å; L196-H223 PolarHBondContact N-O 3.11Å; R221-H223 PolarHBondContact O-CD2 2.75Å; R221-H223 VanDerWaalsContact O-CD2 3.26Å; H223-H225 WeakPolarHBondContact CB-NE2 3.39Å |
| 224 | L | 97.7 | Very high | 97.6 | Very high | 77 Ų | 77 | 61.3 Ų | 61.3 | 40% | 0.403 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.6 | 171.9 | -62.6 | -179.6 | 0 | 0 | 0 | 107.3 | L196 E199 | L196-L224 HydrophobicContact CB-CD2 3.85Å; L196-L224 HydrophobicContact CD1-CD2 3.41Å; L196-L224 VanDerWaalsContact CD1-CD2 3.41Å; L196-L224 HydrophobicContact CG-CD2 4.05Å; E199-L224 HydrophobicContact CG-CD2 4.33Å |
| 225 | H | 98.3 | Very high | 97.7 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 13% | 0.134 | 37% | 0.369 | C | S | . | . | trans | -99.8 | -19.1 | -173.6 | -65 | -86.9 | 0 | 0 | 0 | 113.1 | H195 L196 I197 H223 S232 H236 | H195-H225 AromaticContact CG-NE2 3.64Å; H195-H225 AromaticContact ND1-CE1 3.68Å; H195-H225 AromaticContact ND1-NE2 2.93Å; H195-H225 PolarHBondContact ND1-NE2 2.97Å; L196-H225 WeakPolarHBondContact O-CB 3.49Å; L196-H225 PolarHBondContact O-CD2 2.91Å; L196-H225 PolarHBondContact O-N 3.05Å; I197-H225 HydrophobicContact CG2-CB 4Å; H223-H225 WeakPolarHBondContact CB-NE2 3.39Å; H225-S232 PolarHBondContact ND1-OG 3.22Å; H225-H236 AromaticContact CE1-CD2 4Å | ||
| 226 | G | 97.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 68.3 Ų | 68.3 | 19% | 0.186 | 36% | 0.364 | C | S | . | . | trans | 67.9 | -162.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N198 E199 | N198-G226 PolarHBondContact N-O 2.84Å; E199-G226 VanDerWaalsContact CD-N 3.3Å; E199-G226 VanDerWaalsContact OE1-CA 3.26Å; E199-G226 WeakPolarHBondContact OE1-CA 3.24Å; E199-G226 PolarHBondContact OE1-N 2.8Å; E199-G226 VanDerWaalsContact OE2-CA 3.3Å; E199-G226 WeakPolarHBondContact OE2-CA 3.28Å; E199-G226 PolarHBondContact OE2-N 2.83Å | ||
| 227 | N | 97.2 | Very high | 97.8 | Very high | 113 Ų | 113 | 61.8 Ų | 61.8 | 60% | 0.604 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -25.6 | -178.2 | -59.8 | -14.6 | 0 | 0 | 0 | 112.9 | Y229 | N227-Y229 WeakPolarHBondContact O-CD1 3.44Å; N227-Y229 PolarHBondContact O-N 3.16Å |
| 228 | N | 97 | Very high | 97.9 | Very high | 155 Ų | 155 | 57.8 Ų | 57.8 | 83% | 0.829 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 43.1 | 178.6 | -67.4 | -25.2 | 0 | 0 | 0 | 111.1 | N230 | N228-N230 VanDerWaalsContact C-N 3.34Å; N228-N230 PolarHBondContact O-N 3.34Å |
| 229 | Y | 98.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 13% | 0.129 | 36% | 0.358 | C | S | . | . | trans | -69.5 | -28.7 | -169.8 | 58.8 | -92.8 | 0 | 0 | 0 | 114 | I197 N198 N227 S231 S232 L233 Y245 | I197-Y229 HydrophobicContact CB-CD1 3.8Å; I197-Y229 HydrophobicContact CB-CD2 4.21Å; I197-Y229 HydrophobicContact CB-CE1 4.44Å; I197-Y229 HydrophobicContact CB-CG 3.67Å; I197-Y229 HydrophobicContact CD1-CD1 4.33Å; I197-Y229 HydrophobicContact CD1-CD2 3.98Å; I197-Y229 HydrophobicContact CD1-CE1 4.21Å; I197-Y229 HydrophobicContact CD1-CE2 3.84Å; I197-Y229 HydrophobicContact CD1-CG 4.24Å; I197-Y229 HydrophobicContact CG1-CD1 4.44Å; I197-Y229 HydrophobicContact CG1-CG 4.48Å; I197-Y229 HydrophobicContact CG2-CD1 4.41Å; I197-Y229 HydrophobicContact CG2-CD2 4.04Å; I197-Y229 HydrophobicContact CG2-CG 3.77Å; N198-Y229 WeakPolarHBondContact ND2-CE1 3.28Å; N198-Y229 WeakPolarHBondContact OD1-CD1 3.4Å; N198-Y229 WeakPolarHBondContact OD1-CE1 3.43Å; N227-Y229 WeakPolarHBondContact O-CD1 3.44Å; N227-Y229 PolarHBondContact O-N 3.16Å; Y229-S231 PolarHBondContact O-N 2.84Å; Y229-S232 PolarHBondContact O-N 3.23Å; Y229-S232 PolarHBondContact O-OG 2.88Å; Y229-L233 HydrophobicContact CD2-CB 4.23Å; Y229-L233 HydrophobicContact CD2-CD2 3.84Å; Y229-L233 HydrophobicContact CE2-CD2 4.23Å; Y229-L233 WeakPolarHBondContact O-CB 3.37Å; Y229-L233 PolarHBondContact O-N 3.32Å; Y229-Y245 AromaticContact CE2-CD1 3.98Å; Y229-Y245 HydrophobicContact CE2-CD1 3.98Å | ||
| 230 | N | 96.9 | Very high | 97.9 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -46.5 | -56.4 | -162.3 | -173.9 | -72.2 | 0 | 0 | 0 | 114 | N228 S232 L233 L234 | N228-N230 VanDerWaalsContact C-N 3.34Å; N228-N230 PolarHBondContact O-N 3.34Å; N230-S232 PolarHBondContact O-N 3.45Å; N230-L233 PolarHBondContact O-N 3.01Å; N230-L234 WeakPolarHBondContact O-CB 3.19Å; N230-L234 WeakPolarHBondContact O-CG 3.3Å; N230-L234 PolarHBondContact O-N 2.84Å; N230-L234 VanDerWaalsContact OD1-CD1 3.22Å; N230-L234 WeakPolarHBondContact OD1-CD1 3.31Å |
| 231 | S | 97.5 | Very high | 97.9 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 66% | 0.657 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.1 | -46 | -179 | 174.1 | 0 | 0 | 0 | 0 | 112.7 | Y229 Q235 | Y229-S231 PolarHBondContact O-N 2.84Å; S231-Q235 PolarHBondContact O-N 2.87Å; S231-Q235 VanDerWaalsContact O-N 3.13Å |
| 232 | S | 98.2 | Very high | 97.9 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 179.6 | 64.2 | 0 | 0 | 0 | 0 | 112.5 | H225 Y229 N230 Q235 H236 | H225-S232 PolarHBondContact ND1-OG 3.22Å; Y229-S232 PolarHBondContact O-N 3.23Å; Y229-S232 PolarHBondContact O-OG 2.88Å; N230-S232 PolarHBondContact O-N 3.45Å; S232-Q235 WeakPolarHBondContact O-CB 3.45Å; S232-Q235 PolarHBondContact O-N 3.2Å; S232-H236 PolarHBondContact O-CD2 3.23Å |
| 233 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -43 | 178.2 | -165.2 | 70.2 | 0 | 0 | 0 | 111 | I157 H195 I197 Y229 N230 Q235 H236 F237 L241 Y245 | I157-L233 HydrophobicContact CD1-CD1 4.26Å; I157-L233 HydrophobicContact CG1-CD1 4.43Å; I157-L233 HydrophobicContact CG2-CD1 4.43Å; H195-L233 HydrophobicContact CB-CD1 4.1Å; I197-L233 HydrophobicContact CD1-CD2 4.37Å; I197-L233 HydrophobicContact CG2-CD1 4.11Å; I197-L233 HydrophobicContact CG2-CD2 4.22Å; Y229-L233 HydrophobicContact CD2-CB 4.23Å; Y229-L233 HydrophobicContact CD2-CD2 3.84Å; Y229-L233 HydrophobicContact CE2-CD2 4.23Å; Y229-L233 WeakPolarHBondContact O-CB 3.37Å; Y229-L233 PolarHBondContact O-N 3.32Å; N230-L233 PolarHBondContact O-N 3.01Å; L233-Q235 VanDerWaalsContact C-N 3.26Å; L233-Q235 PolarHBondContact O-N 3.06Å; L233-H236 PolarHBondContact O-N 2.85Å; L233-F237 HydrophobicContact CD1-CD2 3.86Å; L233-F237 HydrophobicContact CD1-CE2 3.85Å; L233-F237 HydrophobicContact CG-CD2 4.12Å; L233-F237 WeakPolarHBondContact O-CD2 3.41Å; L233-F237 PolarHBondContact O-N 2.91Å; L233-L241 HydrophobicContact CD2-CD1 3.89Å; L233-L241 HydrophobicContact CG-CD1 3.92Å; L233-Y245 HydrophobicContact CD2-CG 4.49Å |
| 234 | L | 98.3 | Very high | 97.9 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 27% | 0.272 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -31.4 | 174.8 | -77.1 | 170 | 0 | 0 | 0 | 112.9 | N230 H236 F237 P238 L241 | N230-L234 WeakPolarHBondContact O-CB 3.19Å; N230-L234 WeakPolarHBondContact O-CG 3.3Å; N230-L234 PolarHBondContact O-N 2.84Å; N230-L234 VanDerWaalsContact OD1-CD1 3.22Å; N230-L234 WeakPolarHBondContact OD1-CD1 3.31Å; L234-H236 VanDerWaalsContact C-N 3.26Å; L234-H236 PolarHBondContact O-N 2.86Å; L234-F237 CarbonylContact O-C 3.4Å; L234-F237 PolarHBondContact O-N 3.04Å; L234-P238 WeakPolarHBondContact O-CA 3.37Å; L234-P238 VanDerWaalsContact O-N 3.13Å; L234-L241 HydrophobicContact CD2-CD1 3.96Å; L234-L241 HydrophobicContact CG-CD1 4.39Å |
| 235 | Q | 98.1 | Very high | 98 | Very high | 157 Ų | 157 | 58.2 Ų | 58.2 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63 | -34.4 | 173.8 | -172.7 | -179 | 1.8 | 0 | 0 | 112.2 | S231 S232 L233 | S231-Q235 PolarHBondContact O-N 2.87Å; S231-Q235 VanDerWaalsContact O-N 3.13Å; S232-Q235 WeakPolarHBondContact O-CB 3.45Å; S232-Q235 PolarHBondContact O-N 3.2Å; L233-Q235 VanDerWaalsContact C-N 3.26Å; L233-Q235 PolarHBondContact O-N 3.06Å |
| 236 | H | 98.3 | Very high | 97.9 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 29% | 0.292 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82.7 | -32.5 | 177.2 | -74.7 | -77.9 | 0 | 0 | 0 | 112.9 | H195 H225 S232 L233 L234 | H195-H236 AromaticContact CE1-CD2 3.73Å; H195-H236 AromaticContact CE1-CE1 3.92Å; H195-H236 AromaticContact CE1-CG 3.56Å; H195-H236 AromaticContact CE1-ND1 3.69Å; H195-H236 AromaticContact CE1-NE2 3.95Å; H225-H236 AromaticContact CE1-CD2 4Å; S232-H236 PolarHBondContact O-CD2 3.23Å; L233-H236 PolarHBondContact O-N 2.85Å; L234-H236 VanDerWaalsContact C-N 3.26Å; L234-H236 PolarHBondContact O-N 2.86Å |
| 237 | F | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -131.5 | 64.3 | -172 | -53.1 | -72.8 | 0 | 0 | 0 | 111.6 | D108 V114 K155 I157 H195 L233 L234 I240 L241 | D108-F237 HydrophobicContact CB-CD1 3.98Å; D108-F237 HydrophobicContact CB-CE1 4.24Å; V114-F237 HydrophobicContact CG1-CD1 4.2Å; V114-F237 HydrophobicContact CG1-CE1 3.94Å; V114-F237 HydrophobicContact CG1-CZ 4.47Å; V114-F237 HydrophobicContact CG2-CD1 3.96Å; V114-F237 HydrophobicContact CG2-CE1 3.82Å; K155-F237 HydrophobicContact CB-CE1 3.87Å; K155-F237 HydrophobicContact CB-CZ 3.89Å; K155-F237 HydrophobicContact CD-CE1 3.64Å; K155-F237 HydrophobicContact CD-CZ 3.78Å; K155-F237 HydrophobicContact CG-CE1 4.35Å; K155-F237 HydrophobicContact CG-CZ 4.48Å; I157-F237 HydrophobicContact CD1-CD2 3.88Å; I157-F237 HydrophobicContact CD1-CE2 3.75Å; I157-F237 HydrophobicContact CD1-CG 4.43Å; I157-F237 HydrophobicContact CD1-CZ 4.19Å; I157-F237 HydrophobicContact CG1-CE2 3.9Å; I157-F237 HydrophobicContact CG1-CZ 4.14Å; H195-F237 HydrophobicContact CB-CE2 4.48Å; H195-F237 AromaticContact CD2-CE2 3.68Å; H195-F237 AromaticContact CD2-CZ 3.49Å; H195-F237 VanDerWaalsContact CD2-CZ 3.49Å; H195-F237 WeakPolarHBondContact CD2-CZ 3.4Å; H195-F237 AromaticContact CE1-CE2 3.97Å; H195-F237 AromaticContact CG-CE2 3.79Å; H195-F237 AromaticContact ND1-CE2 3.97Å; H195-F237 AromaticContact NE2-CE2 3.82Å; H195-F237 AromaticContact NE2-CZ 3.54Å; L233-F237 HydrophobicContact CD1-CD2 3.86Å; L233-F237 HydrophobicContact CD1-CE2 3.85Å; L233-F237 HydrophobicContact CG-CD2 4.12Å; L233-F237 WeakPolarHBondContact O-CD2 3.41Å; L233-F237 PolarHBondContact O-N 2.91Å; L234-F237 CarbonylContact O-C 3.4Å; L234-F237 PolarHBondContact O-N 3.04Å; F237-I240 HydrophobicContact CB-CD1 4.19Å; F237-I240 HydrophobicContact CB-CG1 3.98Å; F237-I240 HydrophobicContact CD1-CD1 4.22Å; F237-L241 HydrophobicContact CB-CD1 4.15Å; F237-L241 HydrophobicContact CB-CD2 3.75Å; F237-L241 HydrophobicContact CB-CG 3.8Å; F237-L241 HydrophobicContact CD2-CD2 4.37Å; F237-L241 HydrophobicContact CG-CD2 4.22Å |
| 238 | P | 97.8 | Very high | 97.9 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 139.8 | 179.9 | 28.3 | -35.3 | 0 | 0 | 0 | 110.6 | P109 L234 I240 | P109-P238 HydrophobicContact CG-CG 3.7Å; L234-P238 WeakPolarHBondContact O-CA 3.37Å; L234-P238 VanDerWaalsContact O-N 3.13Å; P238-I240 PolarHBondContact O-N 2.86Å |
| 239 | D | 96.6 | Very high | 97.8 | Very high | 151 Ų | 151 | 57.8 Ų | 57.8 | 81% | 0.807 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -0.3 | 169.6 | -48.2 | -42.5 | 0 | 0 | 0 | 117.5 | ||
| 240 | I | 98.3 | Very high | 97.8 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.082 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -6.3 | -174.2 | 65.9 | 168.9 | 0 | 0 | 0 | 114.2 | L104 D108 V114 F237 P238 F250 | L104-I240 HydrophobicContact CD1-CD1 4.09Å; L104-I240 HydrophobicContact CD1-CG1 4.16Å; L104-I240 WeakPolarHBondContact CD1-O 3.2Å; D108-I240 HydrophobicContact CB-CD1 4.16Å; V114-I240 HydrophobicContact CG2-CD1 4.14Å; F237-I240 HydrophobicContact CB-CD1 4.19Å; F237-I240 HydrophobicContact CB-CG1 3.98Å; F237-I240 HydrophobicContact CD1-CD1 4.22Å; P238-I240 PolarHBondContact O-N 2.86Å; I240-F250 WeakPolarHBondContact O-CZ 3.37Å |
| 241 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -74 | 157.9 | -179.8 | -68.7 | 179 | 0 | 0 | 0 | 111.2 | L104 I157 L233 L234 F237 Y245 G247 | L104-L241 HydrophobicContact CD1-CD2 4.29Å; I157-L241 HydrophobicContact CD1-CD2 3.77Å; L233-L241 HydrophobicContact CD2-CD1 3.89Å; L233-L241 HydrophobicContact CG-CD1 3.92Å; L234-L241 HydrophobicContact CD2-CD1 3.96Å; L234-L241 HydrophobicContact CG-CD1 4.39Å; F237-L241 HydrophobicContact CB-CD1 4.15Å; F237-L241 HydrophobicContact CB-CD2 3.75Å; F237-L241 HydrophobicContact CB-CG 3.8Å; F237-L241 HydrophobicContact CD2-CD2 4.37Å; F237-L241 HydrophobicContact CG-CD2 4.22Å; L241-Y245 WeakPolarHBondContact CD1-O 3.33Å; L241-G247 VanDerWaalsContact O-CA 3.24Å; L241-G247 WeakPolarHBondContact O-CA 3.44Å |
| 242 | P | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -75.4 | 166.8 | 168.7 | 33.1 | -36.5 | 0 | 0 | 0 | 111.6 | I116 E244 Y245 G246 G247 F250 M252 I255 | I116-P242 HydrophobicContact CD1-CG 4.12Å; P242-E244 PolarHBondContact O-N 2.79Å; P242-Y245 HydrophobicContact CG-CD2 3.4Å; P242-Y245 HydrophobicContact CG-CE2 3.84Å; P242-Y245 HydrophobicContact CG-CG 4.36Å; P242-Y245 PolarHBondContact O-N 2.79Å; P242-G246 PolarHBondContact O-N 2.94Å; P242-G247 WeakPolarHBondContact O-CA 3.42Å; P242-G247 PolarHBondContact O-N 2.99Å; P242-F250 CarbonylContact C-O 3.5Å; P242-F250 WeakPolarHBondContact CA-O 3.26Å; P242-F250 HydrophobicContact CB-CD2 3.9Å; P242-F250 HydrophobicContact CB-CE2 3.8Å; P242-F250 WeakPolarHBondContact CB-O 3.29Å; P242-M252 HydrophobicContact CB-CG 4.22Å; P242-M252 HydrophobicContact CB-SD 4.37Å; P242-M252 HydrophobicContact CG-CG 3.89Å; P242-M252 HydrophobicContact CG-SD 3.68Å; P242-I255 HydrophobicContact CG-CD1 4.47Å | ||
| 243 | L | 98.6 | Very high | 98 | Very high | 96 Ų | 96 | 55 Ų | 55 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -50.7 | -41.6 | -178.5 | -66.8 | 174 | 0 | 0 | 0 | 112.8 | Y245 G246 F250 | L243-Y245 PolarHBondContact O-N 2.75Å; L243-Y245 VanDerWaalsContact O-N 3.14Å; L243-G246 PolarHBondContact O-N 3.09Å; L243-F250 WeakPolarHBondContact CG-O 3.49Å; L243-F250 PolarHBondContact N-O 2.76Å |
| 244 | E | 98.4 | Very high | 98 | Very high | 82 Ų | 82 | 58.4 Ų | 58.4 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -63.2 | -20.4 | -178.3 | -64.2 | 85.6 | 163 | 0 | 0 | 113.5 | P242 M252 | P242-E244 PolarHBondContact O-N 2.79Å; E244-M252 HydrophobicContact CB-CG 4.25Å; E244-M252 VanDerWaalsContact CD-N 3.32Å; E244-M252 HydrophobicContact CG-CB 4.45Å; E244-M252 HydrophobicContact CG-CG 4.24Å; E244-M252 WeakPolarHBondContact OE1-CB 3.29Å; E244-M252 PolarHBondContact OE1-N 2.97Å; E244-M252 VanDerWaalsContact OE1-N 3.11Å; E244-M252 PolarHBondContact OE2-N 3.06Å |
| 245 | Y | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -117.2 | 21.6 | 179.9 | -49.6 | -52.1 | 0 | 0 | 0 | 113.3 | I116 R118 D159 I197 Y229 L233 L241 P242 L243 M252 | I116-Y245 HydrophobicContact CD1-CD2 4.03Å; I116-Y245 HydrophobicContact CD1-CE2 3.89Å; I116-Y245 HydrophobicContact CG2-CE2 3.82Å; R118-Y245 VanDerWaalsContact CD-OH 3.31Å; R118-Y245 WeakPolarHBondContact CD-OH 3.36Å; R118-Y245 VanDerWaalsContact CG-OH 3.31Å; R118-Y245 WeakPolarHBondContact CG-OH 3.18Å; D159-Y245 HydrophobicContact CB-CE1 4.32Å; D159-Y245 WeakPolarHBondContact OD2-CE1 3.45Å; D159-Y245 PolarHBondContact OD2-OH 3.26Å; I197-Y245 HydrophobicContact CD1-CD1 3.77Å; I197-Y245 HydrophobicContact CD1-CE1 3.69Å; Y229-Y245 AromaticContact CE2-CD1 3.98Å; Y229-Y245 HydrophobicContact CE2-CD1 3.98Å; L233-Y245 HydrophobicContact CD2-CG 4.49Å; L241-Y245 WeakPolarHBondContact CD1-O 3.33Å; P242-Y245 HydrophobicContact CG-CD2 3.4Å; P242-Y245 HydrophobicContact CG-CE2 3.84Å; P242-Y245 HydrophobicContact CG-CG 4.36Å; P242-Y245 PolarHBondContact O-N 2.79Å; L243-Y245 PolarHBondContact O-N 2.75Å; L243-Y245 VanDerWaalsContact O-N 3.14Å; Y245-M252 HydrophobicContact CD2-SD 4.4Å; Y245-M252 HydrophobicContact CE2-CG 3.85Å; Y245-M252 HydrophobicContact CE2-SD 3.53Å; Y245-M252 VanDerWaalsContact CE2-SD 3.53Å |
| 246 | G | 96.9 | Very high | 98 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 12 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P242 L243 | P242-G246 PolarHBondContact O-N 2.94Å; L243-G246 PolarHBondContact O-N 3.09Å |
| 247 | G | 97.4 | Very high | 98 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 19% | 0.186 | 28% | 0.282 | C | S | . | . | trans | -76.4 | -178.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L241 P242 | L241-G247 VanDerWaalsContact O-CA 3.24Å; L241-G247 WeakPolarHBondContact O-CA 3.44Å; P242-G247 WeakPolarHBondContact O-CA 3.42Å; P242-G247 PolarHBondContact O-N 2.99Å | ||
| 248 | A | 95.9 | Very high | 98 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 74% | 0.736 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -128 | -20.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 249 | E | 96.1 | Very high | 98.1 | Very high | 164 Ų | 164 | 52.7 Ų | 52.7 | 77% | 0.766 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -107.2 | -32 | -164.2 | -66.5 | -172.7 | 177.2 | 0 | 0 | 115.6 | ||
| 250 | F | 98.2 | Very high | 98.2 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | trans | -148.4 | 155.7 | -171.7 | 57.1 | -95.5 | 0 | 0 | 0 | 112.1 | L104 I240 P242 L243 I255 | L104-F250 HydrophobicContact CD2-CE2 3.97Å; L104-F250 HydrophobicContact CD2-CZ 4.13Å; I240-F250 WeakPolarHBondContact O-CZ 3.37Å; P242-F250 CarbonylContact C-O 3.5Å; P242-F250 WeakPolarHBondContact CA-O 3.26Å; P242-F250 HydrophobicContact CB-CD2 3.9Å; P242-F250 HydrophobicContact CB-CE2 3.8Å; P242-F250 WeakPolarHBondContact CB-O 3.29Å; L243-F250 WeakPolarHBondContact CG-O 3.49Å; L243-F250 PolarHBondContact N-O 2.76Å; F250-I255 HydrophobicContact CD2-CG2 3.44Å; F250-I255 VanDerWaalsContact CD2-CG2 3.44Å; F250-I255 HydrophobicContact CE2-CD1 4.29Å; F250-I255 HydrophobicContact CE2-CG2 3.51Å; F250-I255 HydrophobicContact CG-CG2 4.33Å; F250-I255 HydrophobicContact CZ-CG2 4.44Å | ||
| 251 | S | 98.7 | Very high | 98.2 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | trans | -90.3 | 165.5 | 179 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | E253 D254 I255 | S251-E253 PolarHBondContact O-N 3.4Å; S251-E253 PolarHBondContact OG-N 3.07Å; S251-D254 WeakPolarHBondContact CB-OD2 3.25Å; S251-D254 PolarHBondContact N-OD2 3.21Å; S251-D254 PolarHBondContact O-N 2.95Å; S251-D254 PolarHBondContact OG-N 2.84Å; S251-D254 VanDerWaalsContact OG-N 3.11Å; S251-D254 PolarHBondContact OG-OD2 3.44Å; S251-I255 PolarHBondContact O-N 2.95Å | ||
| 252 | M | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -35.5 | 167.2 | -85.8 | -62.2 | -47.8 | 0 | 0 | 112 | I116 R118 P242 E244 Y245 I255 C256 | I116-M252 HydrophobicContact CB-CE 4.25Å; I116-M252 HydrophobicContact CB-SD 4.31Å; I116-M252 HydrophobicContact CD1-SD 3.94Å; I116-M252 HydrophobicContact CG2-CE 3.85Å; I116-M252 HydrophobicContact CG2-SD 3.83Å; R118-M252 HydrophobicContact CG-CE 4.14Å; P242-M252 HydrophobicContact CB-CG 4.22Å; P242-M252 HydrophobicContact CB-SD 4.37Å; P242-M252 HydrophobicContact CG-CG 3.89Å; P242-M252 HydrophobicContact CG-SD 3.68Å; E244-M252 HydrophobicContact CB-CG 4.25Å; E244-M252 VanDerWaalsContact CD-N 3.32Å; E244-M252 HydrophobicContact CG-CB 4.45Å; E244-M252 HydrophobicContact CG-CG 4.24Å; E244-M252 WeakPolarHBondContact OE1-CB 3.29Å; E244-M252 PolarHBondContact OE1-N 2.97Å; E244-M252 VanDerWaalsContact OE1-N 3.11Å; E244-M252 PolarHBondContact OE2-N 3.06Å; Y245-M252 HydrophobicContact CD2-SD 4.4Å; Y245-M252 HydrophobicContact CE2-CG 3.85Å; Y245-M252 HydrophobicContact CE2-SD 3.53Å; Y245-M252 VanDerWaalsContact CE2-SD 3.53Å; M252-I255 HydrophobicContact CE-CD1 4.13Å; M252-I255 HydrophobicContact CE-CG1 4.34Å; M252-I255 WeakPolarHBondContact O-CG1 3.38Å; M252-I255 HydrophobicContact SD-CD1 3.68Å; M252-I255 HydrophobicContact SD-CG1 4.24Å; M252-C256 VanDerWaalsContact O-CB 3.26Å; M252-C256 WeakPolarHBondContact O-CB 3.26Å; M252-C256 PolarHBondContact O-N 3.27Å; M252-C256 PolarHBondContact O-SG 3.31Å |
| 253 | E | 98.5 | Very high | 98.2 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 178.2 | -175 | 172.8 | -168 | 0 | 0 | 111.2 | S251 I255 C256 Q257 | S251-E253 PolarHBondContact O-N 3.4Å; S251-E253 PolarHBondContact OG-N 3.07Å; E253-I255 PolarHBondContact O-N 3.13Å; E253-C256 PolarHBondContact O-N 2.97Å; E253-Q257 WeakPolarHBondContact O-CB 3.46Å; E253-Q257 PolarHBondContact O-N 2.93Å |
| 254 | D | 98.4 | Very high | 98.2 | Very high | 72 Ų | 72 | 51 Ų | 51 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.1 | -52.2 | 178.7 | -62.2 | -48.5 | 0 | 0 | 0 | 111.4 | S251 C256 Q257 E258 | S251-D254 WeakPolarHBondContact CB-OD2 3.25Å; S251-D254 PolarHBondContact N-OD2 3.21Å; S251-D254 PolarHBondContact O-N 2.95Å; S251-D254 PolarHBondContact OG-N 2.84Å; S251-D254 VanDerWaalsContact OG-N 3.11Å; S251-D254 PolarHBondContact OG-OD2 3.44Å; D254-C256 PolarHBondContact O-N 2.71Å; D254-Q257 PolarHBondContact O-N 2.92Å; D254-E258 WeakPolarHBondContact O-CB 3.26Å; D254-E258 VanDerWaalsContact O-CG 3.3Å; D254-E258 WeakPolarHBondContact O-CG 3.47Å; D254-E258 PolarHBondContact O-N 3.47Å |
| 255 | I | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.3 | -30.5 | -176.9 | 60.7 | 169.3 | 0 | 0 | 0 | 112.9 | L104 I116 P242 F250 S251 M252 E253 W259 | L104-I255 HydrophobicContact CD2-CD1 3.61Å; I116-I255 HydrophobicContact CD1-CD1 4.35Å; P242-I255 HydrophobicContact CG-CD1 4.47Å; F250-I255 HydrophobicContact CD2-CG2 3.44Å; F250-I255 VanDerWaalsContact CD2-CG2 3.44Å; F250-I255 HydrophobicContact CE2-CD1 4.29Å; F250-I255 HydrophobicContact CE2-CG2 3.51Å; F250-I255 HydrophobicContact CG-CG2 4.33Å; F250-I255 HydrophobicContact CZ-CG2 4.44Å; S251-I255 PolarHBondContact O-N 2.95Å; M252-I255 HydrophobicContact CE-CD1 4.13Å; M252-I255 HydrophobicContact CE-CG1 4.34Å; M252-I255 WeakPolarHBondContact O-CG1 3.38Å; M252-I255 HydrophobicContact SD-CD1 3.68Å; M252-I255 HydrophobicContact SD-CG1 4.24Å; E253-I255 PolarHBondContact O-N 3.13Å; I255-W259 VanDerWaalsContact O-CB 3.26Å; I255-W259 WeakPolarHBondContact O-CB 3.48Å; I255-W259 PolarHBondContact O-N 3.5Å |
| 256 | C | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 171.7 | -80.6 | 0 | 0 | 0 | 0 | 110.7 | G99 H101 M252 E253 D254 T260 | G99-C256 PolarHBondContact O-SG 3.26Å; H101-C256 VanDerWaalsContact C-SG 3.59Å; H101-C256 PolarHBondContact O-SG 3.41Å; M252-C256 VanDerWaalsContact O-CB 3.26Å; M252-C256 WeakPolarHBondContact O-CB 3.26Å; M252-C256 PolarHBondContact O-N 3.27Å; M252-C256 PolarHBondContact O-SG 3.31Å; E253-C256 PolarHBondContact O-N 2.97Å; D254-C256 PolarHBondContact O-N 2.71Å; C256-T260 VanDerWaalsContact O-CB 3.25Å; C256-T260 WeakPolarHBondContact O-CB 3.31Å; C256-T260 PolarHBondContact O-N 2.91Å; C256-T260 PolarHBondContact O-OG1 3.49Å |
| 257 | Q | 98.6 | Very high | 98.1 | Very high | 99 Ų | 99 | 57.9 Ų | 57.9 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 179.8 | -173.9 | 58.9 | 71.1 | 0 | 0 | 111.6 | E253 D254 T260 N261 | E253-Q257 WeakPolarHBondContact O-CB 3.46Å; E253-Q257 PolarHBondContact O-N 2.93Å; D254-Q257 PolarHBondContact O-N 2.92Å; Q257-T260 PolarHBondContact O-N 3.3Å; Q257-N261 PolarHBondContact NE2-OD1 2.94Å; Q257-N261 WeakPolarHBondContact O-CB 3.33Å; Q257-N261 PolarHBondContact O-N 3.46Å; Q257-N261 PolarHBondContact O-ND2 2.9Å |
| 258 | E | 98.8 | Very high | 98 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 174.9 | -77.3 | 175.9 | -176.7 | 0 | 0 | 112 | R105 D254 N261 F262 | R105-E258 IonicContact CZ-OE1 3.29Å; R105-E258 VanDerWaalsContact CZ-OE1 3.29Å; R105-E258 IonicContact CZ-OE2 3.64Å; R105-E258 IonicContact NE-OE1 3.26Å; R105-E258 PolarHBondContact NE-OE1 3.3Å; R105-E258 IonicContact NE-OE2 2.84Å; R105-E258 PolarHBondContact NE-OE2 3.38Å; R105-E258 IonicContact NH2-OE1 2.62Å; R105-E258 PolarHBondContact NH2-OE1 2.72Å; R105-E258 IonicContact NH2-OE2 3.59Å; D254-E258 WeakPolarHBondContact O-CB 3.26Å; D254-E258 VanDerWaalsContact O-CG 3.3Å; D254-E258 WeakPolarHBondContact O-CG 3.47Å; D254-E258 PolarHBondContact O-N 3.47Å; E258-N261 PolarHBondContact O-N 2.9Å; E258-F262 PolarHBondContact O-N 3.37Å |
| 259 | W | 98.8 | Very high | 97.9 | Very high | 15 Ų | 15 | 61.5 Ų | 61.5 | 6% | 0.057 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.2 | -38.7 | -178.8 | -165.8 | -115.6 | 0 | 0 | 0 | 112 | H101 V103 T139 L142 I143 I255 N261 F262 I263 | H101-W259 AromaticContact CD2-CD1 3.46Å; H101-W259 VanDerWaalsContact CD2-CD1 3.46Å; H101-W259 AromaticContact CD2-NE1 3.61Å; H101-W259 AromaticContact NE2-CD1 3.41Å; H101-W259 AromaticContact NE2-NE1 3.2Å; H101-W259 PolarHBondContact NE2-NE1 3.47Å; V103-W259 HydrophobicContact CB-CD2 3.71Å; V103-W259 HydrophobicContact CB-CE3 3.79Å; V103-W259 HydrophobicContact CB-CG 4.12Å; V103-W259 HydrophobicContact CB-CZ3 4.21Å; V103-W259 HydrophobicContact CG1-CE3 4.48Å; V103-W259 HydrophobicContact CG1-CZ3 4.46Å; V103-W259 HydrophobicContact CG2-CD2 3.51Å; V103-W259 HydrophobicContact CG2-CE3 4.04Å; V103-W259 HydrophobicContact CG2-CG 3.87Å; V103-W259 HydrophobicContact CG2-CH2 4.32Å; V103-W259 HydrophobicContact CG2-CZ2 3.84Å; V103-W259 HydrophobicContact CG2-CZ3 4.4Å; T139-W259 HydrophobicContact CG2-CZ2 3.69Å; T139-W259 PolarHBondContact OG1-NE1 3.05Å; T139-W259 VanDerWaalsContact OG1-NE1 3.1Å; L142-W259 HydrophobicContact CB-CH2 4.48Å; L142-W259 HydrophobicContact CB-CZ2 4.4Å; L142-W259 HydrophobicContact CD1-CZ2 4.31Å; I143-W259 HydrophobicContact CG2-CH2 3.65Å; I143-W259 HydrophobicContact CG2-CZ2 3.92Å; I255-W259 VanDerWaalsContact O-CB 3.26Å; I255-W259 WeakPolarHBondContact O-CB 3.48Å; I255-W259 PolarHBondContact O-N 3.5Å; W259-N261 VanDerWaalsContact C-N 3.34Å; W259-N261 PolarHBondContact O-N 3Å; W259-F262 HydrophobicContact CD2-CD1 4.4Å; W259-F262 HydrophobicContact CE3-CB 4.32Å; W259-F262 AromaticContact CE3-CD1 3.82Å; W259-F262 HydrophobicContact CE3-CD1 3.82Å; W259-F262 HydrophobicContact CE3-CG 4.38Å; W259-F262 AromaticContact CH2-CD1 3.45Å; W259-F262 HydrophobicContact CH2-CD1 3.45Å; W259-F262 VanDerWaalsContact CH2-CD1 3.45Å; W259-F262 AromaticContact CH2-CE1 3.51Å; W259-F262 HydrophobicContact CH2-CE1 3.51Å; W259-F262 HydrophobicContact CZ2-CD1 4.05Å; W259-F262 HydrophobicContact CZ2-CE1 4.28Å; W259-F262 AromaticContact CZ3-CD1 3.32Å; W259-F262 HydrophobicContact CZ3-CD1 3.32Å; W259-F262 AromaticContact CZ3-CE1 3.71Å; W259-F262 HydrophobicContact CZ3-CE1 3.71Å; W259-F262 HydrophobicContact CZ3-CG 4.13Å; W259-F262 PolarHBondContact O-N 2.82Å; W259-I263 WeakPolarHBondContact O-CG1 3.46Å; W259-I263 PolarHBondContact O-N 2.99Å |
| 260 | T | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 172.8 | -61.1 | 0 | 0 | 0 | 0 | 111 | I93 L96 C256 Q257 F262 I263 M264 | I93-T260 HydrophobicContact CD1-CG2 3.86Å; L96-T260 HydrophobicContact CB-CG2 3.92Å; L96-T260 HydrophobicContact CD1-CG2 4.49Å; C256-T260 VanDerWaalsContact O-CB 3.25Å; C256-T260 WeakPolarHBondContact O-CB 3.31Å; C256-T260 PolarHBondContact O-N 2.91Å; C256-T260 PolarHBondContact O-OG1 3.49Å; Q257-T260 PolarHBondContact O-N 3.3Å; T260-F262 VanDerWaalsContact C-N 3.29Å; T260-F262 PolarHBondContact O-N 3.29Å; T260-I263 PolarHBondContact O-N 3.35Å; T260-M264 WeakPolarHBondContact O-CG 3.45Å; T260-M264 PolarHBondContact O-N 2.95Å |
| 261 | N | 98.7 | Very high | 97.5 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 177.3 | -71.6 | -18.6 | 0 | 0 | 0 | 111.8 | Q257 E258 W259 M264 K265 | Q257-N261 PolarHBondContact NE2-OD1 2.94Å; Q257-N261 WeakPolarHBondContact O-CB 3.33Å; Q257-N261 PolarHBondContact O-N 3.46Å; Q257-N261 PolarHBondContact O-ND2 2.9Å; E258-N261 PolarHBondContact O-N 2.9Å; W259-N261 VanDerWaalsContact C-N 3.34Å; W259-N261 PolarHBondContact O-N 3Å; N261-M264 PolarHBondContact O-N 3.04Å; N261-K265 WeakPolarHBondContact O-CB 3.42Å; N261-K265 VanDerWaalsContact O-CG 3.29Å; N261-K265 WeakPolarHBondContact O-CG 3.38Å; N261-K265 PolarHBondContact O-N 3.35Å |
| 262 | F | 98.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 57 Ų | 57 | 38% | 0.382 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 176.1 | 179.1 | -106.7 | 0 | 0 | 0 | 112.3 | L142 E258 W259 T260 M264 K265 S266 | L142-F262 HydrophobicContact CB-CE1 4.07Å; L142-F262 HydrophobicContact CD1-CD1 4.18Å; L142-F262 HydrophobicContact CD1-CE1 3.95Å; L142-F262 HydrophobicContact CD2-CE1 4.39Å; L142-F262 HydrophobicContact CG-CE1 4.36Å; E258-F262 PolarHBondContact O-N 3.37Å; W259-F262 HydrophobicContact CD2-CD1 4.4Å; W259-F262 HydrophobicContact CE3-CB 4.32Å; W259-F262 AromaticContact CE3-CD1 3.82Å; W259-F262 HydrophobicContact CE3-CD1 3.82Å; W259-F262 HydrophobicContact CE3-CG 4.38Å; W259-F262 AromaticContact CH2-CD1 3.45Å; W259-F262 HydrophobicContact CH2-CD1 3.45Å; W259-F262 VanDerWaalsContact CH2-CD1 3.45Å; W259-F262 AromaticContact CH2-CE1 3.51Å; W259-F262 HydrophobicContact CH2-CE1 3.51Å; W259-F262 HydrophobicContact CZ2-CD1 4.05Å; W259-F262 HydrophobicContact CZ2-CE1 4.28Å; W259-F262 AromaticContact CZ3-CD1 3.32Å; W259-F262 HydrophobicContact CZ3-CD1 3.32Å; W259-F262 AromaticContact CZ3-CE1 3.71Å; W259-F262 HydrophobicContact CZ3-CE1 3.71Å; W259-F262 HydrophobicContact CZ3-CG 4.13Å; W259-F262 PolarHBondContact O-N 2.82Å; T260-F262 VanDerWaalsContact C-N 3.29Å; T260-F262 PolarHBondContact O-N 3.29Å; F262-M264 VanDerWaalsContact C-N 3.34Å; F262-M264 PolarHBondContact O-N 3.43Å; F262-K265 PolarHBondContact O-N 3.13Å; F262-S266 WeakPolarHBondContact O-CB 3.42Å; F262-S266 PolarHBondContact O-N 2.82Å; F262-S266 VanDerWaalsContact O-N 3.11Å; F262-S266 PolarHBondContact O-OG 2.88Å |
| 263 | I | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.8 | -73.8 | 171.5 | 0 | 0 | 0 | 110.4 | P89 L96 I138 L142 W259 T260 K265 S266 E267 L270 | P89-I263 HydrophobicContact CB-CG2 3.48Å; P89-I263 VanDerWaalsContact CB-CG2 3.48Å; P89-I263 HydrophobicContact CG-CG2 3.94Å; L96-I263 HydrophobicContact CD1-CB 4.4Å; L96-I263 HydrophobicContact CD1-CD1 3.93Å; L96-I263 HydrophobicContact CD1-CG2 3.95Å; L96-I263 HydrophobicContact CD2-CD1 3.86Å; I138-I263 HydrophobicContact CG2-CD1 4.27Å; I138-I263 HydrophobicContact CG2-CG1 4.21Å; I138-I263 HydrophobicContact CG2-CG2 4.03Å; L142-I263 HydrophobicContact CD1-CG1 3.81Å; W259-I263 WeakPolarHBondContact O-CG1 3.46Å; W259-I263 PolarHBondContact O-N 2.99Å; T260-I263 PolarHBondContact O-N 3.35Å; I263-K265 PolarHBondContact O-N 2.95Å; I263-S266 CarbonylContact O-C 3.54Å; I263-S266 WeakPolarHBondContact O-CA 3.49Å; I263-S266 PolarHBondContact O-N 3.25Å; I263-E267 PolarHBondContact O-N 3.4Å; I263-L270 HydrophobicContact CG2-CD1 4.26Å |
| 264 | M | 98.2 | Very high | 96.1 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 179.9 | -69.1 | -55.3 | -55.7 | 0 | 0 | 112.3 | P89 I93 T260 N261 F262 S266 E267 | P89-M264 HydrophobicContact CB-SD 4.07Å; P89-M264 HydrophobicContact CG-SD 3.83Å; I93-M264 HydrophobicContact CD1-CG 3.94Å; I93-M264 HydrophobicContact CD1-SD 3.46Å; I93-M264 WeakPolarHBondContact CD1-SD 3.37Å; I93-M264 HydrophobicContact CG1-SD 4.09Å; T260-M264 WeakPolarHBondContact O-CG 3.45Å; T260-M264 PolarHBondContact O-N 2.95Å; N261-M264 PolarHBondContact O-N 3.04Å; F262-M264 VanDerWaalsContact C-N 3.34Å; F262-M264 PolarHBondContact O-N 3.43Å; M264-S266 PolarHBondContact O-N 3.21Å; M264-E267 WeakPolarHBondContact O-CB 3.3Å; M264-E267 WeakPolarHBondContact O-CG 3.43Å; M264-E267 PolarHBondContact O-N 2.85Å |
| 265 | K | 98.4 | Very high | 94.9 | Very high | 179 Ų | 179 | 52.6 Ų | 52.6 | 78% | 0.778 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.3 | -17 | 173.4 | -73.9 | 175.9 | -178.2 | -178.3 | 0 | 113.5 | N261 F262 I263 | N261-K265 WeakPolarHBondContact O-CB 3.42Å; N261-K265 VanDerWaalsContact O-CG 3.29Å; N261-K265 WeakPolarHBondContact O-CG 3.38Å; N261-K265 PolarHBondContact O-N 3.35Å; F262-K265 PolarHBondContact O-N 3.13Å; I263-K265 PolarHBondContact O-N 2.95Å |
| 266 | S | 98.1 | Very high | 92.7 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 12% | 0.119 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 10.1 | -178.4 | -51.1 | 0 | 0 | 0 | 0 | 112.8 | F262 I263 M264 D268 Y269 L270 | F262-S266 WeakPolarHBondContact O-CB 3.42Å; F262-S266 PolarHBondContact O-N 2.82Å; F262-S266 VanDerWaalsContact O-N 3.11Å; F262-S266 PolarHBondContact O-OG 2.88Å; I263-S266 CarbonylContact O-C 3.54Å; I263-S266 WeakPolarHBondContact O-CA 3.49Å; I263-S266 PolarHBondContact O-N 3.25Å; M264-S266 PolarHBondContact O-N 3.21Å; S266-D268 VanDerWaalsContact C-N 3.29Å; S266-D268 PolarHBondContact O-N 3.39Å; S266-Y269 WeakPolarHBondContact O-CB 3.44Å; S266-Y269 PolarHBondContact O-N 3.4Å; S266-Y269 VanDerWaalsContact O-N 3.16Å; S266-L270 WeakPolarHBondContact O-CG 3.5Å; S266-L270 PolarHBondContact O-N 2.85Å |
| 267 | E | 96.3 | Very high | 90 | Very high | 68 Ų | 68 | 64.5 Ų | 64.5 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -35.3 | -173.5 | 68.7 | -176 | -174.5 | 0 | 0 | 113.7 | H88 P89 I263 M264 L270 S271 | H88-E267 IonicContact CE1-OE2 3.19Å; P89-E267 HydrophobicContact CG-CB 4.07Å; I263-E267 PolarHBondContact O-N 3.4Å; M264-E267 WeakPolarHBondContact O-CB 3.3Å; M264-E267 WeakPolarHBondContact O-CG 3.43Å; M264-E267 PolarHBondContact O-N 2.85Å; E267-L270 PolarHBondContact O-N 2.98Å; E267-S271 WeakPolarHBondContact O-CB 3.45Å; E267-S271 PolarHBondContact O-N 3.29Å; E267-S271 PolarHBondContact O-OG 3.45Å |
| 268 | D | 94.3 | Very high | 86.8 | Confident | 131 Ų | 131 | 71.5 Ų | 71.5 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 176.5 | -71.3 | -27.2 | 0 | 0 | 0 | 111.4 | S266 S271 S272 | S266-D268 VanDerWaalsContact C-N 3.29Å; S266-D268 PolarHBondContact O-N 3.39Å; D268-S271 PolarHBondContact O-N 3.25Å; D268-S272 PolarHBondContact O-N 3.11Å |
| 269 | Y | 93.8 | Very high | 86.2 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 21% | 0.208 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 174.6 | 170.2 | -107.1 | 0 | 0 | 0 | 111 | L142 S266 S271 S272 I273 | L142-Y269 HydrophobicContact CD2-CD1 3.73Å; L142-Y269 HydrophobicContact CD2-CE1 4.04Å; S266-Y269 WeakPolarHBondContact O-CB 3.44Å; S266-Y269 PolarHBondContact O-N 3.4Å; S266-Y269 VanDerWaalsContact O-N 3.16Å; Y269-S271 VanDerWaalsContact C-N 3.27Å; Y269-S271 PolarHBondContact O-N 3.11Å; Y269-S272 PolarHBondContact O-N 2.7Å; Y269-S272 VanDerWaalsContact O-N 3.08Å; Y269-S272 PolarHBondContact O-OG 3.46Å; Y269-S272 VanDerWaalsContact O-OG 3.06Å; Y269-I273 HydrophobicContact CE1-CD1 3.97Å; Y269-I273 HydrophobicContact CE2-CG2 3.88Å; Y269-I273 WeakPolarHBondContact O-CG1 3.16Å; Y269-I273 PolarHBondContact O-N 3.26Å |
| 270 | L | 94.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 178.3 | -68.7 | 168.5 | 0 | 0 | 0 | 111.8 | L87 P89 I138 L142 I263 S266 E267 S272 I273 S274 | L87-L270 HydrophobicContact CB-CB 4.38Å; L87-L270 HydrophobicContact CB-CD2 4.45Å; P89-L270 HydrophobicContact CG-CD1 4.46Å; I138-L270 HydrophobicContact CB-CD2 4.44Å; I138-L270 HydrophobicContact CG1-CD2 4.48Å; I138-L270 HydrophobicContact CG2-CD1 3.66Å; I138-L270 HydrophobicContact CG2-CD2 3.92Å; I138-L270 HydrophobicContact CG2-CG 4.47Å; L142-L270 HydrophobicContact CD2-CD2 4.13Å; L142-L270 HydrophobicContact CD2-CG 4.34Å; L142-L270 HydrophobicContact CG-CD2 4.17Å; I263-L270 HydrophobicContact CG2-CD1 4.26Å; S266-L270 WeakPolarHBondContact O-CG 3.5Å; S266-L270 PolarHBondContact O-N 2.85Å; E267-L270 PolarHBondContact O-N 2.98Å; L270-S272 VanDerWaalsContact C-N 3.33Å; L270-I273 HydrophobicContact CD2-CD1 4.36Å; L270-I273 WeakPolarHBondContact O-CG1 3.45Å; L270-I273 PolarHBondContact O-N 3.14Å; L270-S274 PolarHBondContact O-N 3.01Å; L270-S274 VanDerWaalsContact O-N 3.08Å; L270-S274 PolarHBondContact O-OG 3.2Å |
| 271 | S | 92 | Very high | 84.8 | Confident | 51 Ų | 51 | 77.8 Ų | 77.8 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | E267 D268 Y269 I273 S274 | E267-S271 WeakPolarHBondContact O-CB 3.45Å; E267-S271 PolarHBondContact O-N 3.29Å; E267-S271 PolarHBondContact O-OG 3.45Å; D268-S271 PolarHBondContact O-N 3.25Å; Y269-S271 VanDerWaalsContact C-N 3.27Å; Y269-S271 PolarHBondContact O-N 3.11Å; S271-I273 VanDerWaalsContact C-N 3.33Å; S271-I273 PolarHBondContact O-N 3.43Å; S271-S274 WeakPolarHBondContact O-CB 3.24Å; S271-S274 PolarHBondContact O-N 3.4Å |
| 272 | S | 89.3 | Confident | 83.9 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.4 | -25.6 | 179.8 | 95.2 | 0 | 0 | 0 | 0 | 113.7 | H45 D268 Y269 L270 | H45-S272 PolarHBondContact CD2-O 2.93Å; H45-S272 PolarHBondContact CD2-OG 2.84Å; H45-S272 VanDerWaalsContact CD2-OG 3.23Å; H45-S272 VanDerWaalsContact NE2-CB 3.29Å; H45-S272 WeakPolarHBondContact NE2-CB 3.42Å; H45-S272 PolarHBondContact NE2-OG 2.62Å; D268-S272 PolarHBondContact O-N 3.11Å; Y269-S272 PolarHBondContact O-N 2.7Å; Y269-S272 VanDerWaalsContact O-N 3.08Å; Y269-S272 PolarHBondContact O-OG 3.46Å; Y269-S272 VanDerWaalsContact O-OG 3.06Å; L270-S272 VanDerWaalsContact C-N 3.33Å |
| 273 | I | 88.6 | Confident | 83 | Confident | 27 Ų | 27 | 77.5 Ų | 77.5 | 14% | 0.138 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 0.3 | 174.3 | 64.5 | 162.9 | 0 | 0 | 0 | 113.7 | R77 L87 E141 Y269 L270 S271 | R77-I273 PolarHBondContact NH2-O 2.7Å; L87-I273 HydrophobicContact CD1-CD1 3.77Å; L87-I273 HydrophobicContact CD1-CG1 3.96Å; E141-I273 HydrophobicContact CB-CD1 3.59Å; E141-I273 HydrophobicContact CG-CD1 3.75Å; Y269-I273 HydrophobicContact CE1-CD1 3.97Å; Y269-I273 HydrophobicContact CE2-CG2 3.88Å; Y269-I273 WeakPolarHBondContact O-CG1 3.16Å; Y269-I273 PolarHBondContact O-N 3.26Å; L270-I273 HydrophobicContact CD2-CD1 4.36Å; L270-I273 WeakPolarHBondContact O-CG1 3.45Å; L270-I273 PolarHBondContact O-N 3.14Å; S271-I273 VanDerWaalsContact C-N 3.33Å; S271-I273 PolarHBondContact O-N 3.43Å |
| 274 | S | 87.5 | Confident | 82 | Confident | 21 Ų | 21 | 82.6 Ų | 82.6 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -73.8 | 147.1 | 169.1 | -64.9 | 0 | 0 | 0 | 0 | 109.3 | A85 L87 L270 S271 | A85-S274 CarbonylContact O-C 3.35Å; A85-S274 WeakPolarHBondContact O-CA 3.49Å; A85-S274 VanDerWaalsContact O-CB 3.23Å; A85-S274 WeakPolarHBondContact O-CB 3.2Å; L87-S274 WeakPolarHBondContact CB-OG 3.22Å; L87-S274 PolarHBondContact N-OG 3.19Å; L270-S274 PolarHBondContact O-N 3.01Å; L270-S274 VanDerWaalsContact O-N 3.08Å; L270-S274 PolarHBondContact O-OG 3.2Å; S271-S274 WeakPolarHBondContact O-CB 3.24Å; S271-S274 PolarHBondContact O-N 3.4Å |
| 275 | E | 73.1 | Confident | 80.8 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | trans | -78 | 130.4 | 171.6 | -75.3 | 163.6 | -144.9 | 0 | 0 | 108.2 | R77 A85 I277 | R77-E275 IonicContact CZ-OE1 2.72Å; R77-E275 IonicContact NE-OE1 3.71Å; R77-E275 PolarHBondContact NE-OE1 2.88Å; R77-E275 IonicContact NH2-OE1 3.68Å; R77-E275 PolarHBondContact NH2-OE1 2.95Å; A85-E275 PolarHBondContact O-N 3.08Å; E275-I277 PolarHBondContact O-N 3.48Å | ||
| 276 | T | 53.3 | Low | 79.5 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 79% | 0.785 | 41% | 0.406 | S | S | * | . | trans | -66.2 | 103.6 | 172.1 | -41.8 | 0 | 0 | 0 | 0 | 107.3 | Q278 | T276-Q278 VanDerWaalsContact C-N 3.32Å; T276-Q278 PolarHBondContact O-N 2.91Å | ||
| 277 | I | 42.3 | Very low | 77.9 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 65% | 0.651 | 43% | 0.43 | S | S | * | . | trans | -67.3 | 99 | 167.3 | -53.2 | 174.8 | 0 | 0 | 0 | 105.2 | A85 E275 | A85-I277 HydrophobicContact CB-CD1 3.78Å; A85-I277 HydrophobicContact CB-CG1 3.82Å; E275-I277 PolarHBondContact O-N 3.48Å | ||
| 278 | Q | 29.8 | Very low | 76.2 | Confident | 247 Ų | 247 | 83 Ų | 83 | 100% | 1.154 | 44% | 0.441 | S | S | * | . | trans | -77.6 | 0 | 163.3 | -77 | -171.5 | -18.8 | 0 | 0 | 109.6 | T276 | T276-Q278 VanDerWaalsContact C-N 3.32Å; T276-Q278 PolarHBondContact O-N 2.91Å |
Retrieved 278 of 278 residues in 226.9 ms
(Link to these results)