| 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 | 27.1 | Very low | 28 | Very low | 233 Ų | 233 | 158.5 Ų | 158.5 | 100% | 1.148 | 84% | 0.844 | S | S | * | * | 0 | 79.8 | 0 | -158.9 | 173.8 | -171.2 | 0 | 0 | 107.5 | |||||
| 2 | W | 24.9 | Very low | 28.9 | Very low | 262 Ų | 262 | 156.8 Ų | 156.8 | 99% | 0.992 | 85% | 0.848 | S | S | * | * | trans | -89.4 | 118.3 | 179.4 | -84.8 | 62.3 | 0 | 0 | 0 | 108 | ||||
| 3 | K | 28.3 | Very low | 29 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -89 | 114.7 | 165.7 | -82.7 | -174.7 | 174.4 | -179.6 | 0 | 107.4 | ||||
| 4 | G | 32.6 | Very low | 29 | Very low | 70 Ų | 70 | 155.9 Ų | 155.9 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | trans | -71.1 | 137.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | N | 27.8 | Very low | 29.8 | Very low | 148 Ų | 148 | 152.8 Ų | 152.8 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | -108.4 | 106.1 | 163.4 | -81.9 | -5.8 | 0 | 0 | 0 | 108.3 | F7 | N5-F7 PolarHBondContact O-N 3.37Š| ||
| 6 | V | 28.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 73% | 0.733 | 83% | 0.831 | S | S | * | * | trans | -60.9 | 115.7 | 160 | 172.9 | 0 | 0 | 0 | 0 | 107 | T8 | V6-T8 VanDerWaalsContact C-N 3.31Å; V6-T8 HydrophobicContact CG1-CG2 3.95Å; V6-T8 PolarHBondContact O-N 2.98Å | ||
| 7 | F | 29.6 | Very low | 31 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 89% | 0.886 | 82% | 0.821 | S | S | * | * | trans | -73.1 | 92.5 | 163.9 | -86.4 | -80.9 | 0 | 0 | 0 | 108.1 | N5 | N5-F7 PolarHBondContact O-N 3.37Š| ||
| 8 | T | 26.4 | Very low | 32.1 | Very low | 105 Ų | 105 | 144 Ų | 144 | 64% | 0.644 | 80% | 0.796 | S | S | * | * | trans | -69.7 | 124.5 | 163.6 | 42.5 | 0 | 0 | 0 | 0 | 109.2 | V6 S10 | V6-T8 VanDerWaalsContact C-N 3.31Å; V6-T8 HydrophobicContact CG1-CG2 3.95Å; V6-T8 PolarHBondContact O-N 2.98Å; T8-S10 PolarHBondContact O-N 2.97Å; T8-S10 PolarHBondContact O-OG 3.01Å | ||
| 9 | L | 31.8 | Very low | 33.5 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | -35.4 | 119.2 | 162 | -126.1 | 84 | 0 | 0 | 0 | 110.7 | ||||
| 10 | S | 25.9 | Very low | 35.2 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -125.5 | 125.1 | 164.7 | 12.5 | 0 | 0 | 0 | 0 | 109.7 | T8 | T8-S10 PolarHBondContact O-N 2.97Å; T8-S10 PolarHBondContact O-OG 3.01Å | ||
| 11 | S | 25.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -56.1 | 166.1 | 174.5 | -78.7 | 0 | 0 | 0 | 0 | 113.4 | G13 | S11-G13 PolarHBondContact O-N 3.3Š| ||
| 12 | P | 39.3 | Very low | 38.7 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 90% | 0.896 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -77.6 | 111.7 | -157 | 30.9 | -31.2 | 0 | 0 | 0 | 111.5 | ||
| 13 | G | 29.8 | Very low | 40.8 | Very low | 61 Ų | 61 | 121.8 Ų | 121.8 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | trans | 164.3 | 118.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S11 | S11-G13 PolarHBondContact O-N 3.3Š| ||
| 14 | W | 29.5 | Very low | 43 | Very low | 241 Ų | 241 | 112.4 Ų | 112.4 | 91% | 0.913 | 67% | 0.668 | S | S | * | * | trans | 81.5 | 106.1 | 158.7 | -74 | 59 | 0 | 0 | 0 | 119.4 | ||||
| 15 | T | 41.1 | Very low | 44.9 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | trans | 38.3 | 90.7 | 131.7 | 59.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 16 | D | 38 | Very low | 47.1 | Very low | 170 Ų | 170 | 112.1 Ų | 112.1 | 91% | 0.909 | 65% | 0.653 | S | S | * | * | trans | -103.1 | 79.4 | 151.3 | -139.8 | -3.6 | 0 | 0 | 0 | 108 | G18 | D16-G18 VanDerWaalsContact C-N 3.33Å; D16-G18 PolarHBondContact O-N 3.01Å | ||
| 17 | S | 41.8 | Very low | 49.4 | Very low | 95 Ų | 95 | 107.1 Ų | 107.1 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | trans | -76.6 | 83.2 | 178.9 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | N19 | S17-N19 PolarHBondContact O-N 2.86Š| ||
| 18 | G | 51.2 | Low | 51.9 | Low | 35 Ų | 35 | 99.1 Ų | 99.1 | 36% | 0.361 | 60% | 0.595 | S | S | . | * | trans | -54.9 | 121.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | D16 F20 | D16-G18 VanDerWaalsContact C-N 3.33Å; D16-G18 PolarHBondContact O-N 3.01Å; G18-F20 PolarHBondContact O-N 3.42Å; G18-F20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | N | 58.7 | Low | 54.4 | Low | 116 Ų | 116 | 99.5 Ų | 99.5 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | trans | -55.4 | 122.4 | -175.8 | -88.2 | -36.1 | 0 | 0 | 0 | 109.8 | S17 S21 S22 L23 | S17-N19 PolarHBondContact O-N 2.86Å; N19-S21 PolarHBondContact O-N 2.82Å; N19-S21 VanDerWaalsContact O-N 3.09Å; N19-S22 PolarHBondContact O-N 3.48Å; N19-S22 PolarHBondContact O-OG 3.29Å; N19-L23 PolarHBondContact O-N 3.3Å | ||
| 20 | F | 66 | Low | 56.7 | Low | 55 Ų | 55 | 97.1 Ų | 97.1 | 24% | 0.241 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -47.7 | -40.7 | 177.1 | 174.7 | -108 | 0 | 0 | 0 | 111.5 | G18 S22 C24 G27 Q29 W32 | G18-F20 PolarHBondContact O-N 3.42Å; G18-F20 VanDerWaalsContact O-N 3.11Å; F20-S22 VanDerWaalsContact C-N 3.29Å; F20-S22 PolarHBondContact O-N 2.92Å; F20-C24 HydrophobicContact CD2-CB 4.35Å; F20-C24 HydrophobicContact CE2-CB 4.24Å; F20-C24 CarbonylContact O-C 3.34Å; F20-C24 WeakPolarHBondContact O-CA 3.41Å; F20-C24 PolarHBondContact O-N 3.36Å; F20-G27 VanDerWaalsContact CZ-O 3.3Å; F20-G27 WeakPolarHBondContact CZ-O 3.31Å; F20-Q29 HydrophobicContact CZ-CB 4.18Å; F20-W32 HydrophobicContact CD2-CB 3.83Å; F20-W32 AromaticContact CD2-CD1 3.69Å; F20-W32 AromaticContact CD2-CD2 3.95Å; F20-W32 HydrophobicContact CD2-CD2 3.95Å; F20-W32 AromaticContact CD2-CG 3.53Å; F20-W32 HydrophobicContact CD2-CG 3.53Å; F20-W32 HydrophobicContact CE2-CB 3.63Å; F20-W32 HydrophobicContact CE2-CD2 4.41Å; F20-W32 AromaticContact CE2-CG 3.86Å; F20-W32 HydrophobicContact CE2-CG 3.86Å |
| 21 | S | 66 | Low | 59.2 | Low | 98 Ų | 98 | 91.8 Ų | 91.8 | 69% | 0.685 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.2 | -23.6 | 178.3 | -49.8 | 0 | 0 | 0 | 0 | 115.1 | N19 | N19-S21 PolarHBondContact O-N 2.82Å; N19-S21 VanDerWaalsContact O-N 3.09Å |
| 22 | S | 70.8 | Confident | 61.6 | Low | 90 Ų | 90 | 89.9 Ų | 89.9 | 63% | 0.629 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -94.4 | -34.5 | 179.5 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | N19 F20 | N19-S22 PolarHBondContact O-N 3.48Å; N19-S22 PolarHBondContact O-OG 3.29Å; F20-S22 VanDerWaalsContact C-N 3.29Å; F20-S22 PolarHBondContact O-N 2.92Å |
| 23 | L | 69.3 | Low | 63.2 | Low | 102 Ų | 102 | 89.9 Ų | 89.9 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -90.6 | -30.8 | -178.2 | -75.5 | 151.3 | 0 | 0 | 0 | 112.4 | N19 W32 | N19-L23 PolarHBondContact O-N 3.3Å; L23-W32 HydrophobicContact CB-CH2 3.59Å; L23-W32 HydrophobicContact CB-CZ2 4.12Å; L23-W32 HydrophobicContact CB-CZ3 4.32Å; L23-W32 HydrophobicContact CD1-CH2 4.04Å; L23-W32 HydrophobicContact CD1-CZ2 4.05Å; L23-W32 HydrophobicContact CG-CH2 4.34Å |
| 24 | C | 73.4 | Confident | 65.2 | Low | 0 Ų | 0 | 89.4 Ų | 89.4 | 0% | 0 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -140.7 | 66.7 | -175.9 | -163.1 | 0 | 0 | 0 | 0 | 112.3 | F20 N26 G27 W32 C38 | F20-C24 HydrophobicContact CD2-CB 4.35Å; F20-C24 HydrophobicContact CE2-CB 4.24Å; F20-C24 CarbonylContact O-C 3.34Å; F20-C24 WeakPolarHBondContact O-CA 3.41Å; F20-C24 PolarHBondContact O-N 3.36Å; C24-N26 PolarHBondContact O-N 2.86Å; C24-G27 PolarHBondContact O-N 2.77Å; C24-G27 VanDerWaalsContact SG-CA 3.59Å; C24-W32 HydrophobicContact CB-CE3 4Å; C24-W32 HydrophobicContact CB-CZ3 4.09Å; C24-C38 WeakPolarHBondContact CA-SG 3.34Å; C24-C38 HydrophobicContact CB-CB 3.73Å; C24-C38 WeakPolarHBondContact CB-SG 3.44Å; C24-C38 WeakPolarHBondContact SG-CA 3.43Å; C24-C38 WeakPolarHBondContact SG-CB 3.48Å; C24-C38 CovalentContact SG-SG 2.02Å; C24-C38 PolarHBondContact SG-SG 3.4Å |
| 25 | P | 72.3 | Confident | 67.2 | Low | 53 Ų | 53 | 78.7 Ų | 78.7 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 128.4 | 177.1 | 24.4 | -33.4 | 0 | 0 | 0 | 110.5 | G27 Q40 | P25-G27 VanDerWaalsContact C-N 3.28Å; P25-G27 PolarHBondContact O-N 3.4Å; P25-Q40 VanDerWaalsContact CD-NE2 3.29Å; P25-Q40 PolarHBondContact O-NE2 3.36Å |
| 26 | N | 74.8 | Confident | 68.6 | Low | 159 Ų | 159 | 75.7 Ų | 75.7 | 85% | 0.85 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 19 | -177.1 | -54.5 | -27.3 | 0 | 0 | 0 | 116.2 | C24 | C24-N26 PolarHBondContact O-N 2.86Š|
| 27 | G | 76.7 | Confident | 70.1 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | trans | -75 | 172.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | F20 C24 P25 A39 | F20-G27 VanDerWaalsContact CZ-O 3.3Å; F20-G27 WeakPolarHBondContact CZ-O 3.31Å; C24-G27 PolarHBondContact O-N 2.77Å; C24-G27 VanDerWaalsContact SG-CA 3.59Å; P25-G27 VanDerWaalsContact C-N 3.28Å; P25-G27 PolarHBondContact O-N 3.4Å; G27-A39 VanDerWaalsContact CA-O 3.25Å; G27-A39 WeakPolarHBondContact CA-O 3.37Å | ||
| 28 | S | 81 | Confident | 71.7 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 24% | 0.238 | 38% | 0.383 | C | S | . | . | trans | -82.9 | 121.9 | 168.1 | -70.9 | 0 | 0 | 0 | 0 | 111.8 | W30 V31 W32 A39 | S28-W30 PolarHBondContact O-N 3.17Å; S28-V31 PolarHBondContact O-N 3.43Å; S28-W32 PolarHBondContact O-N 2.95Å; S28-A39 PolarHBondContact N-O 3.4Å; S28-A39 VanDerWaalsContact N-O 3.11Å | ||
| 29 | Q | 78.5 | Confident | 73 | Confident | 114 Ų | 114 | 64.4 Ų | 64.4 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | -177.1 | -174 | 177.4 | -9.4 | 0 | 0 | 113.1 | F20 V31 W32 E33 | F20-Q29 HydrophobicContact CZ-CB 4.18Å; Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.11Å; Q29-W32 PolarHBondContact O-N 3.34Å; Q29-E33 HydrophobicContact CG-CG 4.31Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.47Å; Q29-E33 PolarHBondContact NE2-OE1 2.84Å; Q29-E33 PolarHBondContact O-N 2.79Å |
| 30 | W | 81.3 | Confident | 74 | Confident | 132 Ų | 132 | 61.8 Ų | 61.8 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.5 | -32.2 | 179.5 | 69.7 | -92.3 | 0 | 0 | 0 | 113.1 | S28 G34 L35 V48 | S28-W30 PolarHBondContact O-N 3.17Å; W30-G34 WeakPolarHBondContact O-CA 3.47Å; W30-G34 PolarHBondContact O-N 3.42Å; W30-L35 HydrophobicContact CZ3-CD1 4.12Å; W30-V48 HydrophobicContact CH2-CG1 3.92Å; W30-V48 HydrophobicContact CZ3-CG1 4.37Å |
| 31 | V | 77.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70 | -41.8 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | S28 Q29 L35 G36 E37 A39 V48 | S28-V31 PolarHBondContact O-N 3.43Å; Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.11Å; V31-L35 HydrophobicContact CG1-CB 4.35Å; V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 CarbonylContact O-C 3.47Å; V31-L35 VanDerWaalsContact O-CA 3.31Å; V31-L35 WeakPolarHBondContact O-CA 3.2Å; V31-L35 VanDerWaalsContact O-CB 3.24Å; V31-L35 WeakPolarHBondContact O-CB 3.41Å; V31-L35 PolarHBondContact O-N 2.9Å; V31-G36 PolarHBondContact O-N 3.28Å; V31-E37 CarbonylContact C-O 3.58Å; V31-E37 HydrophobicContact CG1-CB 3.96Å; V31-E37 WeakPolarHBondContact CG1-O 3.39Å; V31-E37 PolarHBondContact O-N 3.44Å; V31-A39 HydrophobicContact CB-CB 4.3Å; V31-A39 HydrophobicContact CG1-CB 3.85Å; V31-A39 HydrophobicContact CG2-CB 4.22Å; V31-V48 HydrophobicContact CG1-CG2 4.29Å |
| 32 | W | 75.4 | Confident | 75.5 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 27% | 0.265 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66 | -49.1 | 179.2 | -178.6 | -94.2 | 0 | 0 | 0 | 112.3 | F20 L23 C24 S28 Q29 G36 E37 C38 | F20-W32 HydrophobicContact CD2-CB 3.83Å; F20-W32 AromaticContact CD2-CD1 3.69Å; F20-W32 AromaticContact CD2-CD2 3.95Å; F20-W32 HydrophobicContact CD2-CD2 3.95Å; F20-W32 AromaticContact CD2-CG 3.53Å; F20-W32 HydrophobicContact CD2-CG 3.53Å; F20-W32 HydrophobicContact CE2-CB 3.63Å; F20-W32 HydrophobicContact CE2-CD2 4.41Å; F20-W32 AromaticContact CE2-CG 3.86Å; F20-W32 HydrophobicContact CE2-CG 3.86Å; L23-W32 HydrophobicContact CB-CH2 3.59Å; L23-W32 HydrophobicContact CB-CZ2 4.12Å; L23-W32 HydrophobicContact CB-CZ3 4.32Å; L23-W32 HydrophobicContact CD1-CH2 4.04Å; L23-W32 HydrophobicContact CD1-CZ2 4.05Å; L23-W32 HydrophobicContact CG-CH2 4.34Å; C24-W32 HydrophobicContact CB-CE3 4Å; C24-W32 HydrophobicContact CB-CZ3 4.09Å; S28-W32 PolarHBondContact O-N 2.95Å; Q29-W32 PolarHBondContact O-N 3.34Å; W32-G36 VanDerWaalsContact O-CA 3.27Å; W32-G36 WeakPolarHBondContact O-CA 3.44Å; W32-G36 PolarHBondContact O-N 3.41Å; W32-G36 VanDerWaalsContact O-N 3.13Å; W32-E37 WeakPolarHBondContact CA-O 3.29Å; W32-E37 PolarHBondContact N-O 3.35Å; W32-C38 HydrophobicContact CE3-CB 4.08Å; W32-C38 HydrophobicContact CZ3-CB 3.97Å |
| 33 | E | 73.4 | Confident | 75.7 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 64% | 0.64 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73.7 | -36.8 | -179 | -69.2 | 177 | -176.5 | 0 | 0 | 112.8 | Q29 | Q29-E33 HydrophobicContact CG-CG 4.31Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.47Å; Q29-E33 PolarHBondContact NE2-OE1 2.84Å; Q29-E33 PolarHBondContact O-N 2.79Å |
| 34 | G | 71.4 | Confident | 76.3 | Confident | 52 Ų | 52 | 59 Ų | 59 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -89.1 | -39 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | W30 | W30-G34 WeakPolarHBondContact O-CA 3.47Å; W30-G34 PolarHBondContact O-N 3.42Å |
| 35 | L | 73.1 | Confident | 76.7 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -109.1 | -11.4 | -173.5 | -54.2 | 176.4 | 0 | 0 | 0 | 112.7 | W30 V31 E37 V48 P105 L106 | W30-L35 HydrophobicContact CZ3-CD1 4.12Å; V31-L35 HydrophobicContact CG1-CB 4.35Å; V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 CarbonylContact O-C 3.47Å; V31-L35 VanDerWaalsContact O-CA 3.31Å; V31-L35 WeakPolarHBondContact O-CA 3.2Å; V31-L35 VanDerWaalsContact O-CB 3.24Å; V31-L35 WeakPolarHBondContact O-CB 3.41Å; V31-L35 PolarHBondContact O-N 2.9Å; L35-E37 PolarHBondContact O-N 3.44Å; L35-V48 HydrophobicContact CD1-CG1 3.39Å; L35-V48 HydrophobicContact CD1-CG2 4.4Å; L35-P105 WeakPolarHBondContact O-CD 3.3Å; L35-L106 HydrophobicContact CD2-CB 3.87Å; L35-L106 HydrophobicContact CD2-CD1 3.76Å; L35-L106 HydrophobicContact CD2-CD2 3.96Å; L35-L106 HydrophobicContact CD2-CG 4.04Å |
| 36 | G | 69.3 | Low | 77.2 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 69.4 | 17.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V31 W32 | V31-G36 PolarHBondContact O-N 3.28Å; W32-G36 VanDerWaalsContact O-CA 3.27Å; W32-G36 WeakPolarHBondContact O-CA 3.44Å; W32-G36 PolarHBondContact O-N 3.41Å; W32-G36 VanDerWaalsContact O-N 3.13Å |
| 37 | E | 70.3 | Confident | 77.7 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | trans | -113.9 | 143.9 | -176.3 | -70.8 | -172.7 | -153.1 | 0 | 0 | 112.2 | V31 W32 L35 L104 K272 | V31-E37 CarbonylContact C-O 3.58Å; V31-E37 HydrophobicContact CG1-CB 3.96Å; V31-E37 WeakPolarHBondContact CG1-O 3.39Å; V31-E37 PolarHBondContact O-N 3.44Å; W32-E37 WeakPolarHBondContact CA-O 3.29Å; W32-E37 PolarHBondContact N-O 3.35Å; L35-E37 PolarHBondContact O-N 3.44Å; E37-L104 HydrophobicContact CG-CD2 3.13Å; E37-L104 HydrophobicContact CG-CG 4.36Å; E37-L104 VanDerWaalsContact OE1-CD1 3.25Å; E37-L104 WeakPolarHBondContact OE1-CD1 3.48Å; E37-L104 WeakPolarHBondContact OE1-CD2 3.49Å; E37-L104 WeakPolarHBondContact OE1-CG 3.27Å; E37-K272 IonicContact OE2-NZ 2.64Å; E37-K272 PolarHBondContact OE2-NZ 2.98Å | ||
| 38 | C | 75.6 | Confident | 78 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | trans | -85.6 | 117.2 | 165.8 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | C24 W32 Q40 | C24-C38 WeakPolarHBondContact CA-SG 3.34Å; C24-C38 HydrophobicContact CB-CB 3.73Å; C24-C38 WeakPolarHBondContact CB-SG 3.44Å; C24-C38 WeakPolarHBondContact SG-CA 3.43Å; C24-C38 WeakPolarHBondContact SG-CB 3.48Å; C24-C38 CovalentContact SG-SG 2.02Å; C24-C38 PolarHBondContact SG-SG 3.4Å; W32-C38 HydrophobicContact CE3-CB 4.08Å; W32-C38 HydrophobicContact CZ3-CB 3.97Å; C38-Q40 VanDerWaalsContact SG-CG 3.52Å | ||
| 39 | A | 78.5 | Confident | 78.3 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | trans | -116.6 | 103.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G27 S28 V31 D44 | G27-A39 VanDerWaalsContact CA-O 3.25Å; G27-A39 WeakPolarHBondContact CA-O 3.37Å; S28-A39 PolarHBondContact N-O 3.4Å; S28-A39 VanDerWaalsContact N-O 3.11Å; V31-A39 HydrophobicContact CB-CB 4.3Å; V31-A39 HydrophobicContact CG1-CB 3.85Å; V31-A39 HydrophobicContact CG2-CB 4.22Å; A39-D44 HydrophobicContact CB-CB 4.09Å | ||
| 40 | Q | 78.6 | Confident | 78.7 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | trans | -101.2 | -42.8 | -179.8 | -67.9 | 175.7 | -39.6 | 0 | 0 | 111.3 | P25 C38 | P25-Q40 VanDerWaalsContact CD-NE2 3.29Å; P25-Q40 PolarHBondContact O-NE2 3.36Å; C38-Q40 VanDerWaalsContact SG-CG 3.52Å | ||
| 41 | D | 81 | Confident | 79 | Confident | 86 Ų | 86 | 46.8 Ų | 46.8 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -91.6 | 153.2 | -175.2 | -65.6 | -39 | 0 | 0 | 0 | 112.1 | R43 D44 M45 N273 | D41-R43 HydrophobicContact CB-CB 4.45Å; D41-R43 PolarHBondContact O-N 3.38Å; D41-R43 VanDerWaalsContact O-N 3.1Å; D41-D44 PolarHBondContact O-N 3.37Å; D41-M45 PolarHBondContact O-N 3.48Å; D41-N273 PolarHBondContact OD2-ND2 3.09Å |
| 42 | A | 82.4 | Confident | 79.4 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 65% | 0.645 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56 | -28.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A46 | A42-A46 VanDerWaalsContact O-CB 3.31Å; A42-A46 WeakPolarHBondContact O-CB 3.24Å; A42-A46 PolarHBondContact O-N 3.46Å |
| 43 | R | 76.6 | Confident | 80.2 | Confident | 110 Ų | 110 | 50.1 Ų | 50.1 | 42% | 0.415 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 175.8 | 177.7 | 171 | 179.6 | 173.3 | 2.1 | 112.7 | D41 A46 S47 L270 L271 N273 | D41-R43 HydrophobicContact CB-CB 4.45Å; D41-R43 PolarHBondContact O-N 3.38Å; D41-R43 VanDerWaalsContact O-N 3.1Å; R43-A46 PolarHBondContact O-N 2.93Å; R43-S47 PolarHBondContact O-N 3.33Å; R43-L270 PolarHBondContact NH2-O 2.91Å; R43-L271 WeakPolarHBondContact CD-O 3.48Å; R43-L271 HydrophobicContact CG-CB 4.46Å; R43-L271 HydrophobicContact CG-CD2 4.5Å; R43-L271 WeakPolarHBondContact CG-O 3.45Å; R43-L271 PolarHBondContact NE-O 3.06Å; R43-N273 WeakPolarHBondContact CD-OD1 3.46Å; R43-N273 PolarHBondContact NE-OD1 2.92Å |
| 44 | D | 80.3 | Confident | 80.9 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 176.1 | -66.9 | -39.4 | 0 | 0 | 0 | 111.3 | A39 D41 S47 V48 N273 | A39-D44 HydrophobicContact CB-CB 4.09Å; D41-D44 PolarHBondContact O-N 3.37Å; D44-S47 WeakPolarHBondContact O-CB 3.5Å; D44-S47 PolarHBondContact O-N 2.93Å; D44-V48 WeakPolarHBondContact O-CG2 3.29Å; D44-V48 PolarHBondContact O-N 3.36Å; D44-N273 WeakPolarHBondContact OD1-CB 3.38Å; D44-N273 PolarHBondContact OD1-N 3.5Å; D44-N273 VanDerWaalsContact OD1-N 3.17Å |
| 45 | M | 81.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 42.6 Ų | 42.6 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.1 | -173.2 | 165 | 54.9 | 0 | 0 | 111.8 | D41 S47 V48 C49 | D41-M45 PolarHBondContact O-N 3.48Å; M45-S47 VanDerWaalsContact C-N 3.35Å; M45-S47 PolarHBondContact O-N 2.81Å; M45-V48 PolarHBondContact O-N 3.11Å; M45-C49 WeakPolarHBondContact O-CB 3.47Å; M45-C49 PolarHBondContact O-N 3.29Å; M45-C49 PolarHBondContact O-SG 2.89Å |
| 46 | A | 84.2 | Confident | 82.5 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 31% | 0.306 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A42 R43 C49 L50 L271 | A42-A46 VanDerWaalsContact O-CB 3.31Å; A42-A46 WeakPolarHBondContact O-CB 3.24Å; A42-A46 PolarHBondContact O-N 3.46Å; R43-A46 PolarHBondContact O-N 2.93Å; A46-C49 PolarHBondContact O-N 3.05Å; A46-L50 VanDerWaalsContact O-CB 3.31Å; A46-L50 WeakPolarHBondContact O-CB 3.22Å; A46-L50 WeakPolarHBondContact O-CD1 3.2Å; A46-L50 WeakPolarHBondContact O-CG 3.12Å; A46-L50 PolarHBondContact O-N 2.9Å; A46-L271 HydrophobicContact CB-CD1 4.47Å |
| 47 | S | 84.1 | Confident | 83.4 | Confident | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.2 | -49.4 | 173.8 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | R43 D44 M45 L50 G51 S268 | R43-S47 PolarHBondContact O-N 3.33Å; D44-S47 WeakPolarHBondContact O-CB 3.5Å; D44-S47 PolarHBondContact O-N 2.93Å; M45-S47 VanDerWaalsContact C-N 3.35Å; M45-S47 PolarHBondContact O-N 2.81Å; S47-L50 PolarHBondContact O-N 3.47Å; S47-G51 PolarHBondContact O-N 2.98Å; S47-S268 WeakPolarHBondContact CB-O 3.18Å; S47-S268 WeakPolarHBondContact O-CB 3.39Å; S47-S268 PolarHBondContact OG-O 3.49Å |
| 48 | V | 83.7 | Confident | 84.1 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | W30 V31 L35 D44 M45 L50 G51 L52 | W30-V48 HydrophobicContact CH2-CG1 3.92Å; W30-V48 HydrophobicContact CZ3-CG1 4.37Å; V31-V48 HydrophobicContact CG1-CG2 4.29Å; L35-V48 HydrophobicContact CD1-CG1 3.39Å; L35-V48 HydrophobicContact CD1-CG2 4.4Å; D44-V48 WeakPolarHBondContact O-CG2 3.29Å; D44-V48 PolarHBondContact O-N 3.36Å; M45-V48 PolarHBondContact O-N 3.11Å; V48-L50 PolarHBondContact O-N 2.96Å; V48-G51 PolarHBondContact O-N 3.32Å; V48-L52 HydrophobicContact CG1-CD1 4.07Å; V48-L52 WeakPolarHBondContact O-CG 3.34Å; V48-L52 PolarHBondContact O-N 2.88Å |
| 49 | C | 87.8 | Confident | 84.5 | Confident | 66 Ų | 66 | 46 Ų | 46 | 45% | 0.446 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | -179.6 | -70 | 0 | 0 | 0 | 0 | 112.5 | M45 A46 L53 | M45-C49 WeakPolarHBondContact O-CB 3.47Å; M45-C49 PolarHBondContact O-N 3.29Å; M45-C49 PolarHBondContact O-SG 2.89Å; A46-C49 PolarHBondContact O-N 3.05Å; C49-L53 VanDerWaalsContact O-CB 3.31Å; C49-L53 WeakPolarHBondContact O-CB 3.34Å; C49-L53 PolarHBondContact O-N 2.88Å |
| 50 | L | 86.9 | Confident | 84.9 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.183 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -37.8 | 177.5 | -72.9 | 167.6 | 0 | 0 | 0 | 112.1 | A46 S47 V48 L53 S54 T264 L267 L271 | A46-L50 VanDerWaalsContact O-CB 3.31Å; A46-L50 WeakPolarHBondContact O-CB 3.22Å; A46-L50 WeakPolarHBondContact O-CD1 3.2Å; A46-L50 WeakPolarHBondContact O-CG 3.12Å; A46-L50 PolarHBondContact O-N 2.9Å; S47-L50 PolarHBondContact O-N 3.47Å; V48-L50 PolarHBondContact O-N 2.96Å; L50-L53 PolarHBondContact O-N 3.28Å; L50-S54 WeakPolarHBondContact O-CB 2.99Å; L50-S54 PolarHBondContact O-N 2.88Å; L50-T264 HydrophobicContact CD2-CG2 4.07Å; L50-L267 HydrophobicContact CD1-CB 4.27Å; L50-L267 HydrophobicContact CD1-CD2 3.72Å; L50-L267 HydrophobicContact CD1-CG 3.78Å; L50-L267 HydrophobicContact CD2-CD2 4.46Å; L50-L271 HydrophobicContact CD1-CD1 3.56Å |
| 51 | G | 85.9 | Confident | 85.1 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S47 V48 S54 I55 | S47-G51 PolarHBondContact O-N 2.98Å; V48-G51 PolarHBondContact O-N 3.32Å; G51-S54 WeakPolarHBondContact O-CB 3.33Å; G51-S54 PolarHBondContact O-N 3.48Å; G51-I55 WeakPolarHBondContact O-CG1 3.36Å; G51-I55 PolarHBondContact O-N 3.25Å; G51-I55 VanDerWaalsContact O-N 3.15Å |
| 52 | L | 87.8 | Confident | 85.1 | Confident | 59 Ų | 59 | 42.8 Ų | 42.8 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -42 | 175.9 | -69 | 174.2 | 0 | 0 | 0 | 112.2 | V48 S54 I55 V56 L106 | V48-L52 HydrophobicContact CG1-CD1 4.07Å; V48-L52 WeakPolarHBondContact O-CG 3.34Å; V48-L52 PolarHBondContact O-N 2.88Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 2.96Å; L52-I55 PolarHBondContact O-N 3Å; L52-V56 WeakPolarHBondContact O-CG2 3.27Å; L52-V56 PolarHBondContact O-N 3.35Å; L52-V56 VanDerWaalsContact O-N 3.1Å; L52-L106 HydrophobicContact CD2-CD1 3.92Å; L52-L106 HydrophobicContact CD2-CD2 3.86Å; L52-L106 HydrophobicContact CG-CD2 4.5Å |
| 53 | L | 91.1 | Very high | 85 | Confident | 81 Ų | 81 | 44.1 Ų | 44.1 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 175.2 | 178.4 | 61.1 | 0 | 0 | 0 | 111.3 | C49 L50 I55 V56 C57 T264 | C49-L53 VanDerWaalsContact O-CB 3.31Å; C49-L53 WeakPolarHBondContact O-CB 3.34Å; C49-L53 PolarHBondContact O-N 2.88Å; L50-L53 PolarHBondContact O-N 3.28Å; L53-I55 PolarHBondContact O-N 3.19Å; L53-V56 PolarHBondContact O-N 3.39Å; L53-C57 PolarHBondContact O-N 3.46Å; L53-C57 PolarHBondContact O-SG 2.84Å; L53-C57 VanDerWaalsContact O-SG 3.34Å; L53-T264 HydrophobicContact CD2-CG2 3.94Å; L53-T264 HydrophobicContact CG-CG2 4.42Å |
| 54 | S | 89.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | L50 G51 L52 V56 C57 F58 G261 T264 Y265 | L50-S54 WeakPolarHBondContact O-CB 2.99Å; L50-S54 PolarHBondContact O-N 2.88Å; G51-S54 WeakPolarHBondContact O-CB 3.33Å; G51-S54 PolarHBondContact O-N 3.48Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 2.96Å; S54-V56 VanDerWaalsContact C-N 3.31Å; S54-V56 PolarHBondContact O-N 3.29Å; S54-C57 WeakPolarHBondContact O-CB 3.35Å; S54-C57 PolarHBondContact O-N 2.97Å; S54-C57 VanDerWaalsContact O-N 3.13Å; S54-F58 WeakPolarHBondContact O-CD2 3.21Å; S54-F58 PolarHBondContact O-N 3.46Å; S54-F58 WeakPolarHBondContact OG-CE2 3.32Å; S54-G261 WeakPolarHBondContact CB-O 3.39Å; S54-G261 PolarHBondContact OG-O 3.29Å; S54-T264 WeakPolarHBondContact CA-OG1 3.22Å; S54-T264 VanDerWaalsContact CB-OG1 3.31Å; S54-T264 WeakPolarHBondContact CB-OG1 3.38Å; S54-Y265 WeakPolarHBondContact OG-CB 3.32Å |
| 55 | I | 87.8 | Confident | 84.9 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.7 | -46 | 178.6 | -64.4 | 164.5 | 0 | 0 | 0 | 110.4 | G51 L52 L53 C57 F58 M59 L106 T110 | G51-I55 WeakPolarHBondContact O-CG1 3.36Å; G51-I55 PolarHBondContact O-N 3.25Å; G51-I55 VanDerWaalsContact O-N 3.15Å; L52-I55 PolarHBondContact O-N 3Å; L53-I55 PolarHBondContact O-N 3.19Å; I55-C57 PolarHBondContact O-N 3.07Å; I55-F58 PolarHBondContact O-N 2.96Å; I55-M59 HydrophobicContact CG2-CE 3.88Å; I55-M59 HydrophobicContact CG2-CG 4.46Å; I55-M59 HydrophobicContact CG2-SD 4.23Å; I55-M59 WeakPolarHBondContact O-CG 3.28Å; I55-M59 PolarHBondContact O-N 3.46Å; I55-L106 HydrophobicContact CD1-CD1 4.2Å; I55-L106 HydrophobicContact CD1-CD2 4.23Å; I55-L106 HydrophobicContact CD1-CG 4.2Å; I55-T110 HydrophobicContact CD1-CG2 4.25Å; I55-T110 WeakPolarHBondContact CD1-OG1 3.49Å; I55-T110 HydrophobicContact CG1-CG2 4.06Å; I55-T110 HydrophobicContact CG2-CG2 4.48Å |
| 56 | V | 89.8 | Confident | 84.7 | Confident | 82 Ų | 82 | 41.9 Ų | 41.9 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | L52 L53 S54 F58 M59 V60 | L52-V56 WeakPolarHBondContact O-CG2 3.27Å; L52-V56 PolarHBondContact O-N 3.35Å; L52-V56 VanDerWaalsContact O-N 3.1Å; L53-V56 PolarHBondContact O-N 3.39Å; S54-V56 VanDerWaalsContact C-N 3.31Å; S54-V56 PolarHBondContact O-N 3.29Å; V56-F58 VanDerWaalsContact C-N 3.34Å; V56-F58 PolarHBondContact O-N 2.96Å; V56-M59 PolarHBondContact O-N 3.03Å; V56-V60 HydrophobicContact CG1-CG2 4.21Å; V56-V60 WeakPolarHBondContact O-CB 3.39Å; V56-V60 VanDerWaalsContact O-CG2 3.27Å; V56-V60 WeakPolarHBondContact O-CG2 3.44Å; V56-V60 PolarHBondContact O-N 3.31Å |
| 57 | C | 87.2 | Confident | 84.6 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 176.2 | -73.9 | 0 | 0 | 0 | 0 | 111.9 | L53 S54 I55 S61 | L53-C57 PolarHBondContact O-N 3.46Å; L53-C57 PolarHBondContact O-SG 2.84Å; L53-C57 VanDerWaalsContact O-SG 3.34Å; S54-C57 WeakPolarHBondContact O-CB 3.35Å; S54-C57 PolarHBondContact O-N 2.97Å; S54-C57 VanDerWaalsContact O-N 3.13Å; I55-C57 PolarHBondContact O-N 3.07Å; C57-S61 WeakPolarHBondContact O-CB 3.38Å; C57-S61 PolarHBondContact O-N 3.43Å |
| 58 | F | 85.3 | Confident | 84.2 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 18% | 0.184 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 177.6 | -78.3 | -63.5 | 0 | 0 | 0 | 112.3 | S54 I55 V56 V60 S61 S62 Y114 V258 N262 | S54-F58 WeakPolarHBondContact O-CD2 3.21Å; S54-F58 PolarHBondContact O-N 3.46Å; S54-F58 WeakPolarHBondContact OG-CE2 3.32Å; I55-F58 PolarHBondContact O-N 2.96Å; V56-F58 VanDerWaalsContact C-N 3.34Å; V56-F58 PolarHBondContact O-N 2.96Å; F58-V60 PolarHBondContact O-N 3.32Å; F58-S61 PolarHBondContact O-N 3.35Å; F58-S61 PolarHBondContact O-OG 3.17Å; F58-S62 PolarHBondContact O-N 2.8Å; F58-S62 VanDerWaalsContact O-N 3.12Å; F58-S62 PolarHBondContact O-OG 3.42Å; F58-S62 VanDerWaalsContact O-OG 3.13Å; F58-Y114 HydrophobicContact CB-CE1 4.36Å; F58-Y114 WeakPolarHBondContact CB-OH 3.22Å; F58-V258 HydrophobicContact CE1-CG1 4.3Å; F58-N262 WeakPolarHBondContact CZ-OD1 3.05Å |
| 59 | M | 84.8 | Confident | 83.7 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 30% | 0.3 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.9 | -49.8 | 176.5 | -72.5 | -175.6 | 171.1 | 0 | 0 | 111.7 | I55 V56 S61 S62 L63 Y113 | I55-M59 HydrophobicContact CG2-CE 3.88Å; I55-M59 HydrophobicContact CG2-CG 4.46Å; I55-M59 HydrophobicContact CG2-SD 4.23Å; I55-M59 WeakPolarHBondContact O-CG 3.28Å; I55-M59 PolarHBondContact O-N 3.46Å; V56-M59 PolarHBondContact O-N 3.03Å; M59-S61 VanDerWaalsContact C-N 3.29Å; M59-S61 PolarHBondContact O-N 2.88Å; M59-S62 PolarHBondContact O-N 3.41Å; M59-S62 VanDerWaalsContact O-N 3.17Å; M59-L63 WeakPolarHBondContact O-CG 3.43Å; M59-L63 PolarHBondContact O-N 2.85Å; M59-Y113 HydrophobicContact CE-CD1 3.69Å; M59-Y113 HydrophobicContact CE-CD2 4.01Å; M59-Y113 HydrophobicContact CE-CE1 3.57Å; M59-Y113 HydrophobicContact CE-CE2 3.89Å; M59-Y113 HydrophobicContact CE-CG 3.91Å; M59-Y113 HydrophobicContact CG-CE1 3.78Å; M59-Y113 HydrophobicContact SD-CE1 4.45Å |
| 60 | V | 86.4 | Confident | 83.2 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 38% | 0.376 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 179.7 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | V56 F58 S62 P64 L257 | V56-V60 HydrophobicContact CG1-CG2 4.21Å; V56-V60 WeakPolarHBondContact O-CB 3.39Å; V56-V60 VanDerWaalsContact O-CG2 3.27Å; V56-V60 WeakPolarHBondContact O-CG2 3.44Å; V56-V60 PolarHBondContact O-N 3.31Å; F58-V60 PolarHBondContact O-N 3.32Å; V60-S62 VanDerWaalsContact C-N 3.29Å; V60-S62 PolarHBondContact O-N 2.81Å; V60-P64 WeakPolarHBondContact O-CD 3.27Å; V60-L257 HydrophobicContact CB-CD1 4.36Å; V60-L257 HydrophobicContact CG1-CD1 3.75Å |
| 61 | S | 83.3 | Confident | 82.7 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -30 | 176.7 | 80.1 | 0 | 0 | 0 | 0 | 113.3 | C57 F58 M59 | C57-S61 WeakPolarHBondContact O-CB 3.38Å; C57-S61 PolarHBondContact O-N 3.43Å; F58-S61 PolarHBondContact O-N 3.35Å; F58-S61 PolarHBondContact O-OG 3.17Å; M59-S61 VanDerWaalsContact C-N 3.29Å; M59-S61 PolarHBondContact O-N 2.88Å |
| 62 | S | 79.6 | Confident | 82.1 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 12% | 0.119 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -83.9 | -32.5 | -177.2 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | F58 M59 V60 Q65 Y66 | F58-S62 PolarHBondContact O-N 2.8Å; F58-S62 VanDerWaalsContact O-N 3.12Å; F58-S62 PolarHBondContact O-OG 3.42Å; F58-S62 VanDerWaalsContact O-OG 3.13Å; M59-S62 PolarHBondContact O-N 3.41Å; M59-S62 VanDerWaalsContact O-N 3.17Å; V60-S62 VanDerWaalsContact C-N 3.29Å; V60-S62 PolarHBondContact O-N 2.81Å; S62-Q65 WeakPolarHBondContact O-CB 3.48Å; S62-Q65 PolarHBondContact O-N 3.05Å; S62-Y66 WeakPolarHBondContact O-CD2 3.15Å; S62-Y66 PolarHBondContact O-N 3.44Å |
| 63 | L | 81.1 | Confident | 81.1 | Confident | 105 Ų | 105 | 59 Ų | 59 | 55% | 0.55 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.1 | -44.6 | -176.8 | -71.6 | 172.7 | 0 | 0 | 0 | 114.5 | M59 Q65 Y66 Y67 | M59-L63 WeakPolarHBondContact O-CG 3.43Å; M59-L63 PolarHBondContact O-N 2.85Å; L63-Q65 PolarHBondContact O-N 2.82Å; L63-Y66 WeakPolarHBondContact O-CB 3.41Å; L63-Y66 PolarHBondContact O-N 2.81Å; L63-Y67 PolarHBondContact O-N 3.32Å |
| 64 | P | 79.1 | Confident | 79.8 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 34% | 0.338 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.7 | -27.2 | 178.9 | -26.8 | 40.5 | 0 | 0 | 0 | 113 | V60 S68 L254 | V60-P64 WeakPolarHBondContact O-CD 3.27Å; P64-S68 WeakPolarHBondContact O-CB 3.22Å; P64-S68 PolarHBondContact O-N 2.8Å; P64-L254 HydrophobicContact CB-CD1 3.85Å; P64-L254 HydrophobicContact CB-CD2 4.3Å; P64-L254 HydrophobicContact CG-CD1 4.14Å; P64-L254 HydrophobicContact CG-CD2 3.66Å |
| 65 | Q | 75.2 | Confident | 78.7 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 175.2 | -57 | -169.7 | 45.7 | 0 | 0 | 110.6 | S62 L63 S69 | S62-Q65 WeakPolarHBondContact O-CB 3.48Å; S62-Q65 PolarHBondContact O-N 3.05Å; L63-Q65 PolarHBondContact O-N 2.82Å; Q65-S69 VanDerWaalsContact O-CB 3.25Å; Q65-S69 WeakPolarHBondContact O-CB 3.45Å; Q65-S69 PolarHBondContact O-N 3.36Å; Q65-S69 PolarHBondContact O-OG 3.07Å |
| 66 | Y | 78.6 | Confident | 77.6 | Confident | 33 Ų | 33 | 60 Ų | 60 | 13% | 0.129 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60 | -51.9 | 173.4 | -72.6 | -71.4 | 0 | 0 | 0 | 111.7 | S62 L63 S68 S69 C70 A117 L120 M121 M124 | S62-Y66 WeakPolarHBondContact O-CD2 3.15Å; S62-Y66 PolarHBondContact O-N 3.44Å; L63-Y66 WeakPolarHBondContact O-CB 3.41Å; L63-Y66 PolarHBondContact O-N 2.81Å; Y66-S68 PolarHBondContact O-N 3.35Å; Y66-S69 WeakPolarHBondContact O-CB 3.33Å; Y66-S69 PolarHBondContact O-N 3.44Å; Y66-C70 PolarHBondContact O-N 3.49Å; Y66-C70 PolarHBondContact O-SG 3.39Å; Y66-C70 VanDerWaalsContact O-SG 3.39Å; Y66-A117 VanDerWaalsContact OH-C 3.28Å; Y66-A117 WeakPolarHBondContact OH-CA 3.2Å; Y66-A117 WeakPolarHBondContact OH-CB 3.4Å; Y66-A117 PolarHBondContact OH-O 3.46Å; Y66-L120 HydrophobicContact CD1-CD2 4.47Å; Y66-L120 HydrophobicContact CE1-CD2 3.98Å; Y66-L120 HydrophobicContact CE1-CG 4.29Å; Y66-M121 HydrophobicContact CD1-CG 4.19Å; Y66-M121 HydrophobicContact CE1-CB 4.47Å; Y66-M121 HydrophobicContact CE1-CG 3.24Å; Y66-M121 HydrophobicContact CE1-SD 4.16Å; Y66-M121 VanDerWaalsContact CZ-CG 3.5Å; Y66-M121 WeakPolarHBondContact OH-CG 3.43Å; Y66-M124 HydrophobicContact CD1-CE 3.37Å; Y66-M124 HydrophobicContact CE1-CE 3.57Å |
| 67 | Y | 81.5 | Confident | 76.2 | Confident | 156 Ų | 156 | 60.9 Ų | 60.9 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.4 | -47.8 | -178.1 | 177.8 | -95 | 0 | 0 | 0 | 112.3 | L63 S69 C70 K71 | L63-Y67 PolarHBondContact O-N 3.32Å; Y67-S69 VanDerWaalsContact C-N 3.25Å; Y67-S69 PolarHBondContact O-N 3.23Å; Y67-C70 PolarHBondContact O-N 3Å; Y67-K71 HydrophobicContact CE1-CD 4.07Å; Y67-K71 WeakPolarHBondContact O-CB 3.33Å; Y67-K71 PolarHBondContact O-N 3.02Å |
| 68 | S | 75.3 | Confident | 75 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 178 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | P64 Y66 K71 K72 | P64-S68 WeakPolarHBondContact O-CB 3.22Å; P64-S68 PolarHBondContact O-N 2.8Å; Y66-S68 PolarHBondContact O-N 3.35Å; S68-K71 PolarHBondContact O-N 3.25Å; S68-K72 WeakPolarHBondContact O-CB 3.25Å; S68-K72 WeakPolarHBondContact O-CG 3.12Å; S68-K72 PolarHBondContact O-N 2.97Å; S68-K72 WeakPolarHBondContact OG-CE 3.19Å; S68-K72 PolarHBondContact OG-NZ 3.28Å |
| 69 | S | 74.7 | Confident | 74.2 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 177 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | Q65 Y66 Y67 K71 G73 M75 | Q65-S69 VanDerWaalsContact O-CB 3.25Å; Q65-S69 WeakPolarHBondContact O-CB 3.45Å; Q65-S69 PolarHBondContact O-N 3.36Å; Q65-S69 PolarHBondContact O-OG 3.07Å; Y66-S69 WeakPolarHBondContact O-CB 3.33Å; Y66-S69 PolarHBondContact O-N 3.44Å; Y67-S69 VanDerWaalsContact C-N 3.25Å; Y67-S69 PolarHBondContact O-N 3.23Å; S69-K71 VanDerWaalsContact C-N 3.34Å; S69-K71 PolarHBondContact O-N 2.88Å; S69-G73 PolarHBondContact O-N 3.13Å; S69-M75 VanDerWaalsContact CB-SD 3.6Å |
| 70 | C | 75.8 | Confident | 73.9 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 49% | 0.493 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 174.6 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | Y66 Y67 | Y66-C70 PolarHBondContact O-N 3.49Å; Y66-C70 PolarHBondContact O-SG 3.39Å; Y66-C70 VanDerWaalsContact O-SG 3.39Å; Y67-C70 PolarHBondContact O-N 3Å |
| 71 | K | 77.5 | Confident | 73.4 | Confident | 158 Ų | 158 | 63 Ų | 63 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -74 | -40.9 | -178.3 | -171.9 | 175 | -177.9 | 175.5 | 0 | 113.2 | Y67 S68 S69 | Y67-K71 HydrophobicContact CE1-CD 4.07Å; Y67-K71 WeakPolarHBondContact O-CB 3.33Å; Y67-K71 PolarHBondContact O-N 3.02Å; S68-K71 PolarHBondContact O-N 3.25Å; S69-K71 VanDerWaalsContact C-N 3.34Å; S69-K71 PolarHBondContact O-N 2.88Å |
| 72 | K | 72.5 | Confident | 73 | Confident | 132 Ų | 132 | 71.7 Ų | 71.7 | 57% | 0.574 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -88.2 | -22.6 | -174.2 | -67.6 | 177 | -176.9 | 166 | 0 | 113.4 | S68 N74 | S68-K72 WeakPolarHBondContact O-CB 3.25Å; S68-K72 WeakPolarHBondContact O-CG 3.12Å; S68-K72 PolarHBondContact O-N 2.97Å; S68-K72 WeakPolarHBondContact OG-CE 3.19Å; S68-K72 PolarHBondContact OG-NZ 3.28Å; K72-N74 PolarHBondContact O-N 3.34Å |
| 73 | G | 67.4 | Low | 72.9 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 65.8 | -2.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | S69 Y128 | S69-G73 PolarHBondContact O-N 3.13Å; G73-Y128 WeakPolarHBondContact O-CD1 3.44Å |
| 74 | N | 63.5 | Low | 72.8 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | trans | -111.3 | 55.6 | -177.2 | -66.5 | -8.3 | 0 | 0 | 0 | 110.7 | K72 D76 H132 | K72-N74 PolarHBondContact O-N 3.34Å; N74-D76 VanDerWaalsContact C-N 3.27Å; N74-D76 PolarHBondContact O-N 2.72Å; N74-H132 PolarHBondContact OD1-CE1 3.22Å; N74-H132 PolarHBondContact OD1-NE2 2.88Å | ||
| 75 | M | 65.8 | Low | 73 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.3 | -28.5 | -177.5 | -173.2 | 162.3 | 159.5 | 0 | 0 | 112.4 | S69 S77 A78 L79 M121 M124 Y128 | S69-M75 VanDerWaalsContact CB-SD 3.6Å; M75-S77 VanDerWaalsContact C-N 3.32Å; M75-S77 PolarHBondContact O-N 2.94Å; M75-A78 PolarHBondContact O-N 3.46Å; M75-L79 PolarHBondContact O-N 2.91Å; M75-M121 HydrophobicContact CE-CB 4.01Å; M75-M121 HydrophobicContact CE-CG 4.38Å; M75-M121 WeakPolarHBondContact CE-O 3.06Å; M75-M124 HydrophobicContact CE-CB 3.85Å; M75-M124 HydrophobicContact CE-CE 4.45Å; M75-M124 HydrophobicContact SD-CB 3.57Å; M75-M124 VanDerWaalsContact SD-CB 3.57Å; M75-Y128 HydrophobicContact CB-CD2 4.05Å |
| 76 | D | 64.4 | Low | 73.2 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 24% | 0.235 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.9 | -24.2 | -178.3 | 67.7 | -37.4 | 0 | 0 | 0 | 114.4 | N74 Y125 K129 | N74-D76 VanDerWaalsContact C-N 3.27Å; N74-D76 PolarHBondContact O-N 2.72Å; D76-Y125 VanDerWaalsContact CA-CE2 3.46Å; D76-Y125 HydrophobicContact CB-CD2 4.25Å; D76-Y125 HydrophobicContact CB-CE2 3.82Å; D76-K129 HydrophobicContact CB-CB 4.3Å |
| 77 | S | 61.9 | Low | 73.4 | Confident | 101 Ų | 101 | 68.3 Ų | 68.3 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -86.1 | -20.3 | 176.3 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | M75 | M75-S77 VanDerWaalsContact C-N 3.32Å; M75-S77 PolarHBondContact O-N 2.94Å |
| 78 | A | 60.4 | Low | 73.7 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -91.3 | -31.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | M75 | M75-A78 PolarHBondContact O-N 3.46Å |
| 79 | L | 68.2 | Low | 74.1 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -130.8 | 140.6 | -174.4 | -69.9 | 167.1 | 0 | 0 | 0 | 111.7 | M75 F83 | M75-L79 PolarHBondContact O-N 2.91Å; L79-F83 HydrophobicContact CD2-CD1 4.4Å; L79-F83 HydrophobicContact CD2-CE1 4.44Å |
| 80 | S | 78.6 | Confident | 74.6 | Confident | 62 Ų | 62 | 60.6 Ų | 60.6 | 43% | 0.434 | 33% | 0.329 | S | S | . | . | trans | -76.2 | 136.4 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | W82 F83 L84 | S80-W82 VanDerWaalsContact C-N 3.27Å; S80-W82 PolarHBondContact O-N 3.48Å; S80-W82 PolarHBondContact OG-N 3.45Å; S80-F83 WeakPolarHBondContact O-CB 3.27Å; S80-F83 PolarHBondContact O-N 3.22Å; S80-L84 PolarHBondContact O-N 2.95Å | ||
| 81 | V | 76.3 | Confident | 75.1 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 174.2 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | F83 L84 L85 Y125 | V81-F83 VanDerWaalsContact C-N 3.28Å; V81-F83 PolarHBondContact O-N 3.37Å; V81-L84 PolarHBondContact O-N 3.37Å; V81-L85 HydrophobicContact CG2-CD1 4.2Å; V81-L85 HydrophobicContact CG2-CG 4.39Å; V81-L85 WeakPolarHBondContact O-CG 3.34Å; V81-L85 PolarHBondContact O-N 2.94Å; V81-Y125 HydrophobicContact CB-CE1 3.94Å; V81-Y125 HydrophobicContact CG2-CE1 3.88Å |
| 82 | W | 76.1 | Confident | 75.6 | Confident | 186 Ų | 186 | 51.6 Ų | 51.6 | 71% | 0.705 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.8 | -33.6 | 178.7 | -64.8 | 114.2 | 0 | 0 | 0 | 111.9 | S80 L85 L86 | S80-W82 VanDerWaalsContact C-N 3.27Å; S80-W82 PolarHBondContact O-N 3.48Å; S80-W82 PolarHBondContact OG-N 3.45Å; W82-L85 HydrophobicContact CE3-CD1 4.26Å; W82-L85 HydrophobicContact CZ3-CD1 4.42Å; W82-L86 WeakPolarHBondContact O-CB 3.49Å; W82-L86 VanDerWaalsContact O-CG 3.24Å; W82-L86 WeakPolarHBondContact O-CG 3.32Å; W82-L86 PolarHBondContact O-N 3.17Å |
| 83 | F | 77.6 | Confident | 76.2 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 173.8 | 174.6 | -99 | 0 | 0 | 0 | 111 | L79 S80 V81 L85 L86 W87 S211 | L79-F83 HydrophobicContact CD2-CD1 4.4Å; L79-F83 HydrophobicContact CD2-CE1 4.44Å; S80-F83 WeakPolarHBondContact O-CB 3.27Å; S80-F83 PolarHBondContact O-N 3.22Å; V81-F83 VanDerWaalsContact C-N 3.28Å; V81-F83 PolarHBondContact O-N 3.37Å; F83-L85 PolarHBondContact O-N 3.43Å; F83-L86 PolarHBondContact O-N 2.94Å; F83-W87 AromaticContact CE1-CE3 3.7Å; F83-W87 HydrophobicContact CE1-CE3 3.7Å; F83-W87 HydrophobicContact CE1-CZ3 4.04Å; F83-W87 AromaticContact CZ-CE3 3.97Å; F83-W87 HydrophobicContact CZ-CE3 3.97Å; F83-W87 HydrophobicContact CZ-CZ3 4.3Å; F83-W87 WeakPolarHBondContact O-CB 3.19Å; F83-W87 PolarHBondContact O-N 3.19Å; F83-S211 WeakPolarHBondContact CD2-O 3.05Å |
| 84 | L | 79.2 | Confident | 76.9 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 177.4 | -68.8 | 170.9 | 0 | 0 | 0 | 112.8 | S80 V81 W87 L88 M121 L122 Y125 | S80-L84 PolarHBondContact O-N 2.95Å; V81-L84 PolarHBondContact O-N 3.37Å; L84-W87 PolarHBondContact O-N 3.43Å; L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 PolarHBondContact O-N 3.43Å; L84-M121 HydrophobicContact CD2-CB 4.26Å; L84-L122 HydrophobicContact CB-CD1 4.49Å; L84-Y125 HydrophobicContact CD1-CD2 3.91Å; L84-Y125 HydrophobicContact CD1-CG 3.9Å |
| 85 | L | 81.9 | Confident | 78 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 40% | 0.398 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 178.9 | -70 | 175.2 | 0 | 0 | 0 | 112.6 | V81 W82 F83 W87 G89 L122 | V81-L85 HydrophobicContact CG2-CD1 4.2Å; V81-L85 HydrophobicContact CG2-CG 4.39Å; V81-L85 WeakPolarHBondContact O-CG 3.34Å; V81-L85 PolarHBondContact O-N 2.94Å; W82-L85 HydrophobicContact CE3-CD1 4.26Å; W82-L85 HydrophobicContact CZ3-CD1 4.42Å; F83-L85 PolarHBondContact O-N 3.43Å; L85-W87 VanDerWaalsContact C-N 3.34Å; L85-G89 PolarHBondContact O-N 3.12Å; L85-L122 HydrophobicContact CD2-CD1 4.49Å; L85-L122 HydrophobicContact CD2-CD2 4.35Å |
| 86 | L | 80.6 | Confident | 78.8 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 175 | -75.1 | 168.9 | 0 | 0 | 0 | 111.5 | W82 F83 G89 G90 L207 | W82-L86 WeakPolarHBondContact O-CB 3.49Å; W82-L86 VanDerWaalsContact O-CG 3.24Å; W82-L86 WeakPolarHBondContact O-CG 3.32Å; W82-L86 PolarHBondContact O-N 3.17Å; F83-L86 PolarHBondContact O-N 2.94Å; L86-G89 PolarHBondContact O-N 3.2Å; L86-G90 PolarHBondContact O-N 3.01Å; L86-L207 HydrophobicContact CD2-CD2 3.52Å |
| 87 | W | 83 | Confident | 79.4 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -51.8 | 176.6 | -160.2 | -11.4 | 0 | 0 | 0 | 111.2 | F83 L84 L85 G89 G90 D91 D118 M121 Y208 | F83-W87 AromaticContact CE1-CE3 3.7Å; F83-W87 HydrophobicContact CE1-CE3 3.7Å; F83-W87 HydrophobicContact CE1-CZ3 4.04Å; F83-W87 AromaticContact CZ-CE3 3.97Å; F83-W87 HydrophobicContact CZ-CE3 3.97Å; F83-W87 HydrophobicContact CZ-CZ3 4.3Å; F83-W87 WeakPolarHBondContact O-CB 3.19Å; F83-W87 PolarHBondContact O-N 3.19Å; L84-W87 PolarHBondContact O-N 3.43Å; L85-W87 VanDerWaalsContact C-N 3.34Å; W87-G89 PolarHBondContact O-N 3.25Å; W87-G90 WeakPolarHBondContact O-CA 3.4Å; W87-G90 PolarHBondContact O-N 2.69Å; W87-D91 PolarHBondContact NE1-OD2 3.37Å; W87-D91 PolarHBondContact O-N 3.37Å; W87-D118 VanDerWaalsContact C-OD2 3.3Å; W87-M121 HydrophobicContact CE3-CE 4.18Å; W87-M121 HydrophobicContact CH2-CE 4.3Å; W87-M121 HydrophobicContact CZ3-CE 3.88Å; W87-Y208 AromaticContact CD1-CE1 3.45Å; W87-Y208 VanDerWaalsContact CD1-CE1 3.45Å; W87-Y208 AromaticContact CD1-CZ 4Å; W87-Y208 HydrophobicContact CG-CE1 4.39Å; W87-Y208 AromaticContact NE1-CE1 3.71Å |
| 88 | L | 87.6 | Confident | 80.2 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -39.6 | 175.9 | 177.3 | 64.1 | 0 | 0 | 0 | 111.9 | L84 S92 V115 D118 L119 L122 | L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 PolarHBondContact O-N 3.43Å; L88-S92 VanDerWaalsContact O-CB 3.22Å; L88-S92 WeakPolarHBondContact O-CB 3.24Å; L88-S92 PolarHBondContact O-N 2.96Å; L88-S92 PolarHBondContact O-OG 3.25Å; L88-V115 HydrophobicContact CD1-CG1 4.47Å; L88-D118 VanDerWaalsContact CA-OD2 3.27Å; L88-D118 WeakPolarHBondContact CA-OD2 3.2Å; L88-D118 HydrophobicContact CB-CB 4.31Å; L88-D118 HydrophobicContact CD1-CB 3.85Å; L88-D118 PolarHBondContact N-OD2 3.34Å; L88-D118 VanDerWaalsContact N-OD2 3.15Å; L88-L119 HydrophobicContact CD1-CD2 3.98Å; L88-L119 HydrophobicContact CD1-CG 4.13Å; L88-L119 HydrophobicContact CD2-CD2 4.07Å; L88-L122 HydrophobicContact CD2-CD2 3.88Å |
| 89 | G | 83.6 | Confident | 81 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L85 L86 W87 S92 C93 | L85-G89 PolarHBondContact O-N 3.12Å; L86-G89 PolarHBondContact O-N 3.2Å; W87-G89 PolarHBondContact O-N 3.25Å; G89-S92 PolarHBondContact O-N 3.33Å; G89-C93 WeakPolarHBondContact O-CB 3.34Å; G89-C93 PolarHBondContact O-N 3.44Å; G89-C93 PolarHBondContact O-SG 3.45Å |
| 90 | G | 84 | Confident | 81.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L86 W87 C93 N94 S204 | L86-G90 PolarHBondContact O-N 3.01Å; W87-G90 WeakPolarHBondContact O-CA 3.4Å; W87-G90 PolarHBondContact O-N 2.69Å; G90-C93 PolarHBondContact O-N 3.11Å; G90-N94 PolarHBondContact O-N 2.87Å; G90-S204 WeakPolarHBondContact CA-OG 3.35Å; G90-S204 PolarHBondContact O-OG 3.03Å |
| 91 | D | 87.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.9 | -37.2 | 178.7 | -84.5 | -37.5 | 0 | 0 | 0 | 113 | W87 N94 L95 V115 Y208 | W87-D91 PolarHBondContact NE1-OD2 3.37Å; W87-D91 PolarHBondContact O-N 3.37Å; D91-N94 PolarHBondContact O-N 3.48Å; D91-L95 WeakPolarHBondContact O-CB 3.41Å; D91-L95 PolarHBondContact O-N 3.48Å; D91-V115 HydrophobicContact CB-CG2 3.84Å; D91-V115 WeakPolarHBondContact O-CG2 3.17Å; D91-Y208 PolarHBondContact OD1-OH 2.91Å; D91-Y208 PolarHBondContact OD2-OH 3.32Å |
| 92 | S | 87.4 | Confident | 79.9 | Confident | 40 Ų | 40 | 46.9 Ų | 46.9 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 173.2 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | L88 G89 N94 L95 I96 | L88-S92 VanDerWaalsContact O-CB 3.22Å; L88-S92 WeakPolarHBondContact O-CB 3.24Å; L88-S92 PolarHBondContact O-N 2.96Å; L88-S92 PolarHBondContact O-OG 3.25Å; G89-S92 PolarHBondContact O-N 3.33Å; S92-N94 VanDerWaalsContact C-N 3.34Å; S92-N94 PolarHBondContact O-N 3.39Å; S92-L95 PolarHBondContact O-N 3.49Å; S92-I96 WeakPolarHBondContact O-CD1 3.48Å; S92-I96 VanDerWaalsContact O-CG1 3.23Å; S92-I96 WeakPolarHBondContact O-CG1 3.47Å; S92-I96 PolarHBondContact O-N 3.2Å |
| 93 | C | 84.2 | Confident | 79.4 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 173.8 | -74.6 | 0 | 0 | 0 | 0 | 111.3 | G89 G90 L95 I96 G97 I200 | G89-C93 WeakPolarHBondContact O-CB 3.34Å; G89-C93 PolarHBondContact O-N 3.44Å; G89-C93 PolarHBondContact O-SG 3.45Å; G90-C93 PolarHBondContact O-N 3.11Å; C93-L95 PolarHBondContact O-N 2.89Å; C93-I96 PolarHBondContact O-N 2.94Å; C93-G97 PolarHBondContact O-N 3.44Å; C93-I200 HydrophobicContact CB-CG2 3.66Å; C93-I200 WeakPolarHBondContact O-CG2 3.39Å |
| 94 | N | 83 | Confident | 78.9 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.3 | -82.7 | -15.7 | 0 | 0 | 0 | 112.8 | G90 D91 S92 G97 S98 S204 Y208 W290 | G90-N94 PolarHBondContact O-N 2.87Å; D91-N94 PolarHBondContact O-N 3.48Å; S92-N94 VanDerWaalsContact C-N 3.34Å; S92-N94 PolarHBondContact O-N 3.39Å; N94-G97 PolarHBondContact O-N 2.96Å; N94-S98 WeakPolarHBondContact O-CB 3.33Å; N94-S98 PolarHBondContact O-N 3.5Å; N94-S204 VanDerWaalsContact CG-OG 3.31Å; N94-S204 PolarHBondContact ND2-OG 3.36Å; N94-S204 WeakPolarHBondContact OD1-CB 3.2Å; N94-S204 PolarHBondContact OD1-OG 3.4Å; N94-Y208 WeakPolarHBondContact ND2-CE2 3.28Å; N94-W290 PolarHBondContact OD1-NE1 3.37Å |
| 95 | L | 85.3 | Confident | 78.5 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 177.2 | -179.5 | 60 | 0 | 0 | 0 | 112 | D91 S92 C93 G97 S98 F99 A111 I112 V115 | D91-L95 WeakPolarHBondContact O-CB 3.41Å; D91-L95 PolarHBondContact O-N 3.48Å; S92-L95 PolarHBondContact O-N 3.49Å; C93-L95 PolarHBondContact O-N 2.89Å; L95-G97 VanDerWaalsContact C-N 3.32Å; L95-G97 PolarHBondContact O-N 3.47Å; L95-S98 PolarHBondContact O-N 3.27Å; L95-S98 PolarHBondContact O-OG 3.02Å; L95-F99 HydrophobicContact CD1-CD2 3.87Å; L95-F99 HydrophobicContact CD1-CE2 3.38Å; L95-F99 HydrophobicContact CD1-CZ 4.18Å; L95-F99 HydrophobicContact CD2-CE2 4.4Å; L95-F99 HydrophobicContact CG-CD2 4.03Å; L95-F99 HydrophobicContact CG-CE2 3.77Å; L95-F99 WeakPolarHBondContact O-CD2 3.3Å; L95-F99 PolarHBondContact O-N 2.83Å; L95-F99 VanDerWaalsContact O-N 3.16Å; L95-A111 HydrophobicContact CB-CB 4.1Å; L95-A111 HydrophobicContact CD1-CB 3.87Å; L95-I112 HydrophobicContact CD1-CB 4.46Å; L95-I112 HydrophobicContact CD1-CD1 4.49Å; L95-I112 HydrophobicContact CD1-CG1 3.47Å; L95-I112 VanDerWaalsContact CD1-CG1 3.47Å; L95-I112 HydrophobicContact CD2-CG1 4.36Å; L95-V115 HydrophobicContact CB-CG2 4.13Å; L95-V115 HydrophobicContact CD2-CB 4.39Å; L95-V115 HydrophobicContact CD2-CG2 3.97Å |
| 96 | I | 84.3 | Confident | 78.1 | Confident | 85 Ų | 85 | 41 Ų | 41 | 44% | 0.436 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.7 | -65 | 164.7 | 0 | 0 | 0 | 109.7 | S92 C93 S98 F99 L100 I200 | S92-I96 WeakPolarHBondContact O-CD1 3.48Å; S92-I96 VanDerWaalsContact O-CG1 3.23Å; S92-I96 WeakPolarHBondContact O-CG1 3.47Å; S92-I96 PolarHBondContact O-N 3.2Å; C93-I96 PolarHBondContact O-N 2.94Å; I96-S98 VanDerWaalsContact C-N 3.33Å; I96-S98 PolarHBondContact O-N 2.87Å; I96-F99 PolarHBondContact O-N 2.86Å; I96-L100 HydrophobicContact CG2-CD1 4.03Å; I96-L100 WeakPolarHBondContact O-CB 3.01Å; I96-L100 WeakPolarHBondContact O-CD1 3.19Å; I96-L100 PolarHBondContact O-N 2.92Å; I96-I200 HydrophobicContact CG2-CD1 3.83Å |
| 97 | G | 77.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C93 N94 L95 L100 A101 | C93-G97 PolarHBondContact O-N 3.44Å; N94-G97 PolarHBondContact O-N 2.96Å; L95-G97 VanDerWaalsContact C-N 3.32Å; L95-G97 PolarHBondContact O-N 3.47Å; G97-L100 PolarHBondContact O-N 3.44Å; G97-A101 VanDerWaalsContact O-CB 3.29Å; G97-A101 WeakPolarHBondContact O-CB 2.85Å; G97-A101 PolarHBondContact O-N 2.92Å |
| 98 | S | 77.4 | Confident | 77.8 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -38.4 | -179.7 | 75.8 | 0 | 0 | 0 | 0 | 112.6 | N94 L95 I96 D102 Q103 T108 | N94-S98 WeakPolarHBondContact O-CB 3.33Å; N94-S98 PolarHBondContact O-N 3.5Å; L95-S98 PolarHBondContact O-N 3.27Å; L95-S98 PolarHBondContact O-OG 3.02Å; I96-S98 VanDerWaalsContact C-N 3.33Å; I96-S98 PolarHBondContact O-N 2.87Å; S98-D102 PolarHBondContact O-N 3.42Å; S98-Q103 PolarHBondContact O-N 3.39Å; S98-T108 PolarHBondContact OG-OG1 3.22Å |
| 99 | F | 77.4 | Confident | 77.6 | Confident | 110 Ų | 110 | 46 Ų | 46 | 48% | 0.482 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.3 | -36.9 | 174.1 | -78.2 | -59.7 | 0 | 0 | 0 | 113.1 | L95 I96 T108 I112 | L95-F99 HydrophobicContact CD1-CD2 3.87Å; L95-F99 HydrophobicContact CD1-CE2 3.38Å; L95-F99 HydrophobicContact CD1-CZ 4.18Å; L95-F99 HydrophobicContact CD2-CE2 4.4Å; L95-F99 HydrophobicContact CG-CD2 4.03Å; L95-F99 HydrophobicContact CG-CE2 3.77Å; L95-F99 WeakPolarHBondContact O-CD2 3.3Å; L95-F99 PolarHBondContact O-N 2.83Å; L95-F99 VanDerWaalsContact O-N 3.16Å; I96-F99 PolarHBondContact O-N 2.86Å; F99-T108 HydrophobicContact CD1-CG2 4.13Å; F99-T108 HydrophobicContact CE1-CG2 3.61Å; F99-T108 HydrophobicContact CE2-CG2 4.39Å; F99-T108 HydrophobicContact CZ-CG2 3.75Å; F99-I112 HydrophobicContact CZ-CD1 4.21Å |
| 100 | L | 70.4 | Confident | 77.6 | Confident | 59 Ų | 59 | 46 Ų | 46 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -75.7 | -33.9 | -178.2 | -96.6 | 66.1 | 0 | 0 | 0 | 112.8 | I96 G97 D102 R193 I196 I200 | I96-L100 HydrophobicContact CG2-CD1 4.03Å; I96-L100 WeakPolarHBondContact O-CB 3.01Å; I96-L100 WeakPolarHBondContact O-CD1 3.19Å; I96-L100 PolarHBondContact O-N 2.92Å; G97-L100 PolarHBondContact O-N 3.44Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-R193 WeakPolarHBondContact O-CB 3.44Å; L100-I196 HydrophobicContact CD2-CB 4.12Å; L100-I196 HydrophobicContact CD2-CG2 3.34Å; L100-I200 HydrophobicContact CD2-CD1 4.29Å |
| 101 | A | 65.6 | Low | 77.7 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 28% | 0.281 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 8.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G97 Q103 | G97-A101 VanDerWaalsContact O-CB 3.29Å; G97-A101 WeakPolarHBondContact O-CB 2.85Å; G97-A101 PolarHBondContact O-N 2.92Å; A101-Q103 HydrophobicContact CB-CG 4.08Å; A101-Q103 PolarHBondContact O-N 3.29Å; A101-Q103 VanDerWaalsContact O-N 3.13Å |
| 102 | D | 64.6 | Low | 77.7 | Confident | 123 Ų | 123 | 49 Ų | 49 | 66% | 0.658 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 44.5 | -175.1 | -67.5 | -55.4 | 0 | 0 | 0 | 111.5 | S98 L100 R193 | S98-D102 PolarHBondContact O-N 3.42Å; L100-D102 VanDerWaalsContact C-N 3.29Å; D102-R193 IonicContact OD2-NH1 3.73Å |
| 103 | Q | 65.9 | Low | 77.8 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | trans | -70.5 | 162.1 | -176.5 | -91.4 | 174.6 | -8.9 | 0 | 0 | 112.3 | S98 A101 | S98-Q103 PolarHBondContact O-N 3.39Å; A101-Q103 HydrophobicContact CB-CG 4.08Å; A101-Q103 PolarHBondContact O-N 3.29Å; A101-Q103 VanDerWaalsContact O-N 3.13Å | ||
| 104 | L | 66.4 | Low | 78 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 30% | 0.298 | 26% | 0.257 | S | S | . | . | trans | -47.2 | 136 | -177.6 | -70.2 | 148.7 | 0 | 0 | 0 | 112.9 | E37 L106 Q107 T108 | E37-L104 HydrophobicContact CG-CD2 3.13Å; E37-L104 HydrophobicContact CG-CG 4.36Å; E37-L104 VanDerWaalsContact OE1-CD1 3.25Å; E37-L104 WeakPolarHBondContact OE1-CD1 3.48Å; E37-L104 WeakPolarHBondContact OE1-CD2 3.49Å; E37-L104 WeakPolarHBondContact OE1-CG 3.27Å; L104-L106 PolarHBondContact O-N 2.88Å; L104-L106 VanDerWaalsContact O-N 3.12Å; L104-Q107 WeakPolarHBondContact O-CB 3.39Å; L104-Q107 PolarHBondContact O-N 3.41Å; L104-T108 PolarHBondContact O-N 2.85Å | ||
| 105 | P | 70.8 | Confident | 78.4 | Confident | 53 Ų | 53 | 51 Ų | 51 | 34% | 0.344 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -49.6 | -41.8 | -177.4 | -29.8 | 32.7 | 0 | 0 | 0 | 113.9 | L35 Q107 T108 Y109 | L35-P105 WeakPolarHBondContact O-CD 3.3Å; P105-Q107 VanDerWaalsContact C-N 3.34Å; P105-Q107 PolarHBondContact O-N 2.96Å; P105-T108 PolarHBondContact O-N 3.34Å; P105-Y109 HydrophobicContact CB-CD2 4.37Å; P105-Y109 HydrophobicContact CB-CE2 3.99Å; P105-Y109 WeakPolarHBondContact O-CD2 3.28Å; P105-Y109 PolarHBondContact O-N 3.15Å |
| 106 | L | 73.4 | Confident | 78.7 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 179.1 | -175.1 | 67.1 | 0 | 0 | 0 | 112.8 | L35 L52 I55 L104 T110 | L35-L106 HydrophobicContact CD2-CB 3.87Å; L35-L106 HydrophobicContact CD2-CD1 3.76Å; L35-L106 HydrophobicContact CD2-CD2 3.96Å; L35-L106 HydrophobicContact CD2-CG 4.04Å; L52-L106 HydrophobicContact CD2-CD1 3.92Å; L52-L106 HydrophobicContact CD2-CD2 3.86Å; L52-L106 HydrophobicContact CG-CD2 4.5Å; I55-L106 HydrophobicContact CD1-CD1 4.2Å; I55-L106 HydrophobicContact CD1-CD2 4.23Å; I55-L106 HydrophobicContact CD1-CG 4.2Å; L104-L106 PolarHBondContact O-N 2.88Å; L104-L106 VanDerWaalsContact O-N 3.12Å; L106-T110 VanDerWaalsContact O-CB 3.29Å; L106-T110 WeakPolarHBondContact O-CB 3.31Å; L106-T110 PolarHBondContact O-N 2.95Å; L106-T110 PolarHBondContact O-OG1 3.44Å |
| 107 | Q | 75.1 | Confident | 78.9 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.4 | -41.1 | -179.7 | -174.6 | 170.7 | -0.5 | 0 | 0 | 110.8 | L104 P105 T110 A111 | L104-Q107 WeakPolarHBondContact O-CB 3.39Å; L104-Q107 PolarHBondContact O-N 3.41Å; P105-Q107 VanDerWaalsContact C-N 3.34Å; P105-Q107 PolarHBondContact O-N 2.96Å; Q107-T110 PolarHBondContact O-N 3.32Å; Q107-A111 WeakPolarHBondContact O-CB 3.33Å; Q107-A111 PolarHBondContact O-N 3.12Å |
| 108 | T | 81.1 | Confident | 79.5 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | S98 F99 L104 P105 T110 A111 I112 | S98-T108 PolarHBondContact OG-OG1 3.22Å; F99-T108 HydrophobicContact CD1-CG2 4.13Å; F99-T108 HydrophobicContact CE1-CG2 3.61Å; F99-T108 HydrophobicContact CE2-CG2 4.39Å; F99-T108 HydrophobicContact CZ-CG2 3.75Å; L104-T108 PolarHBondContact O-N 2.85Å; P105-T108 PolarHBondContact O-N 3.34Å; T108-T110 VanDerWaalsContact C-N 3.3Å; T108-T110 PolarHBondContact O-N 2.97Å; T108-A111 PolarHBondContact O-N 3Å; T108-I112 HydrophobicContact CG2-CD1 4.24Å; T108-I112 WeakPolarHBondContact O-CG1 2.94Å; T108-I112 PolarHBondContact O-N 3.42Å |
| 109 | Y | 83.9 | Confident | 80.1 | Confident | 161 Ų | 161 | 55.7 Ų | 55.7 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.6 | -39.1 | 176.8 | -68.1 | -46.5 | 0 | 0 | 0 | 112.7 | P105 I112 Y113 | P105-Y109 HydrophobicContact CB-CD2 4.37Å; P105-Y109 HydrophobicContact CB-CE2 3.99Å; P105-Y109 WeakPolarHBondContact O-CD2 3.28Å; P105-Y109 PolarHBondContact O-N 3.15Å; Y109-I112 PolarHBondContact O-N 3.46Å; Y109-Y113 PolarHBondContact O-N 2.91Å |
| 110 | T | 84.1 | Confident | 80.7 | Confident | 23 Ų | 23 | 55 Ų | 55 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -42 | 177 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | I55 L106 Q107 T108 I112 Y113 Y114 | I55-T110 HydrophobicContact CD1-CG2 4.25Å; I55-T110 WeakPolarHBondContact CD1-OG1 3.49Å; I55-T110 HydrophobicContact CG1-CG2 4.06Å; I55-T110 HydrophobicContact CG2-CG2 4.48Å; L106-T110 VanDerWaalsContact O-CB 3.29Å; L106-T110 WeakPolarHBondContact O-CB 3.31Å; L106-T110 PolarHBondContact O-N 2.95Å; L106-T110 PolarHBondContact O-OG1 3.44Å; Q107-T110 PolarHBondContact O-N 3.32Å; T108-T110 VanDerWaalsContact C-N 3.3Å; T108-T110 PolarHBondContact O-N 2.97Å; T110-I112 PolarHBondContact O-N 3.42Å; T110-Y113 WeakPolarHBondContact O-CB 3.47Å; T110-Y113 PolarHBondContact O-N 3.49Å; T110-Y114 HydrophobicContact CG2-CD2 3.85Å; T110-Y114 HydrophobicContact CG2-CE2 3.34Å; T110-Y114 WeakPolarHBondContact O-CD2 3.28Å; T110-Y114 PolarHBondContact O-N 3.24Å |
| 111 | A | 86 | Confident | 81.4 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L95 Q107 T108 Y113 Y114 V115 | L95-A111 HydrophobicContact CB-CB 4.1Å; L95-A111 HydrophobicContact CD1-CB 3.87Å; Q107-A111 WeakPolarHBondContact O-CB 3.33Å; Q107-A111 PolarHBondContact O-N 3.12Å; T108-A111 PolarHBondContact O-N 3Å; A111-Y113 VanDerWaalsContact C-N 3.34Å; A111-Y113 PolarHBondContact O-N 2.92Å; A111-Y114 PolarHBondContact O-N 2.88Å; A111-V115 WeakPolarHBondContact O-CG2 3.5Å; A111-V115 PolarHBondContact O-N 3.4Å |
| 112 | I | 88.4 | Confident | 82.5 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 173.6 | -66.3 | 167.8 | 0 | 0 | 0 | 110.2 | L95 F99 T108 Y109 T110 Y114 V115 L116 | L95-I112 HydrophobicContact CD1-CB 4.46Å; L95-I112 HydrophobicContact CD1-CD1 4.49Å; L95-I112 HydrophobicContact CD1-CG1 3.47Å; L95-I112 VanDerWaalsContact CD1-CG1 3.47Å; L95-I112 HydrophobicContact CD2-CG1 4.36Å; F99-I112 HydrophobicContact CZ-CD1 4.21Å; T108-I112 HydrophobicContact CG2-CD1 4.24Å; T108-I112 WeakPolarHBondContact O-CG1 2.94Å; T108-I112 PolarHBondContact O-N 3.42Å; Y109-I112 PolarHBondContact O-N 3.46Å; T110-I112 PolarHBondContact O-N 3.42Å; I112-Y114 VanDerWaalsContact C-N 3.35Å; I112-Y114 PolarHBondContact O-N 3.47Å; I112-V115 PolarHBondContact O-N 3.32Å; I112-L116 HydrophobicContact CG2-CD1 4Å; I112-L116 HydrophobicContact CG2-CG 4.42Å; I112-L116 WeakPolarHBondContact O-CG 3.45Å; I112-L116 PolarHBondContact O-N 3.26Å |
| 113 | Y | 89.8 | Confident | 83.6 | Confident | 79 Ų | 79 | 49.3 Ų | 49.3 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 178.5 | 167.9 | -95.6 | 0 | 0 | 0 | 111.9 | M59 Y109 T110 A111 L116 A117 | M59-Y113 HydrophobicContact CE-CD1 3.69Å; M59-Y113 HydrophobicContact CE-CD2 4.01Å; M59-Y113 HydrophobicContact CE-CE1 3.57Å; M59-Y113 HydrophobicContact CE-CE2 3.89Å; M59-Y113 HydrophobicContact CE-CG 3.91Å; M59-Y113 HydrophobicContact CG-CE1 3.78Å; M59-Y113 HydrophobicContact SD-CE1 4.45Å; Y109-Y113 PolarHBondContact O-N 2.91Å; T110-Y113 WeakPolarHBondContact O-CB 3.47Å; T110-Y113 PolarHBondContact O-N 3.49Å; A111-Y113 VanDerWaalsContact C-N 3.34Å; A111-Y113 PolarHBondContact O-N 2.92Å; Y113-L116 PolarHBondContact O-N 3.46Å; Y113-A117 VanDerWaalsContact O-CB 3.32Å; Y113-A117 WeakPolarHBondContact O-CB 3.31Å; Y113-A117 PolarHBondContact O-N 3.33Å |
| 114 | Y | 88.5 | Confident | 84.5 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 16% | 0.161 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | -179.6 | -70 | -46.4 | 0 | 0 | 0 | 113 | F58 T110 A111 I112 L116 A117 D118 | F58-Y114 HydrophobicContact CB-CE1 4.36Å; F58-Y114 WeakPolarHBondContact CB-OH 3.22Å; T110-Y114 HydrophobicContact CG2-CD2 3.85Å; T110-Y114 HydrophobicContact CG2-CE2 3.34Å; T110-Y114 WeakPolarHBondContact O-CD2 3.28Å; T110-Y114 PolarHBondContact O-N 3.24Å; A111-Y114 PolarHBondContact O-N 2.88Å; I112-Y114 VanDerWaalsContact C-N 3.35Å; I112-Y114 PolarHBondContact O-N 3.47Å; Y114-L116 VanDerWaalsContact C-N 3.31Å; Y114-L116 PolarHBondContact O-N 3.08Å; Y114-A117 WeakPolarHBondContact O-CB 3.37Å; Y114-A117 PolarHBondContact O-N 3.25Å; Y114-D118 WeakPolarHBondContact O-CB 3.37Å; Y114-D118 PolarHBondContact O-N 3.34Å |
| 115 | V | 91.1 | Very high | 85.4 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 11% | 0.109 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L88 D91 L95 A111 I112 D118 L119 | L88-V115 HydrophobicContact CD1-CG1 4.47Å; D91-V115 HydrophobicContact CB-CG2 3.84Å; D91-V115 WeakPolarHBondContact O-CG2 3.17Å; L95-V115 HydrophobicContact CB-CG2 4.13Å; L95-V115 HydrophobicContact CD2-CB 4.39Å; L95-V115 HydrophobicContact CD2-CG2 3.97Å; A111-V115 WeakPolarHBondContact O-CG2 3.5Å; A111-V115 PolarHBondContact O-N 3.4Å; I112-V115 PolarHBondContact O-N 3.32Å; V115-D118 PolarHBondContact O-N 2.96Å; V115-L119 HydrophobicContact CG1-CD1 4.15Å; V115-L119 HydrophobicContact CG1-CG 4.48Å; V115-L119 VanDerWaalsContact O-CG 3.28Å; V115-L119 WeakPolarHBondContact O-CG 3.3Å; V115-L119 PolarHBondContact O-N 3.41Å |
| 116 | L | 90.6 | Very high | 86 | Confident | 109 Ų | 109 | 48.3 Ų | 48.3 | 57% | 0.571 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.2 | -41.4 | 177 | -69 | 176 | 0 | 0 | 0 | 112.2 | I112 Y113 Y114 D118 L119 L120 | I112-L116 HydrophobicContact CG2-CD1 4Å; I112-L116 HydrophobicContact CG2-CG 4.42Å; I112-L116 WeakPolarHBondContact O-CG 3.45Å; I112-L116 PolarHBondContact O-N 3.26Å; Y113-L116 PolarHBondContact O-N 3.46Å; Y114-L116 VanDerWaalsContact C-N 3.31Å; Y114-L116 PolarHBondContact O-N 3.08Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 3.26Å; L116-L119 PolarHBondContact O-N 2.83Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 PolarHBondContact O-N 2.97Å |
| 117 | A | 88.6 | Confident | 86.6 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y66 Y113 Y114 L120 M121 | Y66-A117 VanDerWaalsContact OH-C 3.28Å; Y66-A117 WeakPolarHBondContact OH-CA 3.2Å; Y66-A117 WeakPolarHBondContact OH-CB 3.4Å; Y66-A117 PolarHBondContact OH-O 3.46Å; Y113-A117 VanDerWaalsContact O-CB 3.32Å; Y113-A117 WeakPolarHBondContact O-CB 3.31Å; Y113-A117 PolarHBondContact O-N 3.33Å; Y114-A117 WeakPolarHBondContact O-CB 3.37Å; Y114-A117 PolarHBondContact O-N 3.25Å; A117-L120 WeakPolarHBondContact O-CB 3.41Å; A117-L120 PolarHBondContact O-N 3.42Å; A117-M121 WeakPolarHBondContact O-CG 3.44Å; A117-M121 PolarHBondContact O-N 2.71Å |
| 118 | D | 89.9 | Confident | 87 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 177.1 | -83.5 | 6.3 | 0 | 0 | 0 | 112.7 | W87 L88 Y114 V115 L116 L120 M121 L122 | W87-D118 VanDerWaalsContact C-OD2 3.3Å; L88-D118 VanDerWaalsContact CA-OD2 3.27Å; L88-D118 WeakPolarHBondContact CA-OD2 3.2Å; L88-D118 HydrophobicContact CB-CB 4.31Å; L88-D118 HydrophobicContact CD1-CB 3.85Å; L88-D118 PolarHBondContact N-OD2 3.34Å; L88-D118 VanDerWaalsContact N-OD2 3.15Å; Y114-D118 WeakPolarHBondContact O-CB 3.37Å; Y114-D118 PolarHBondContact O-N 3.34Å; V115-D118 PolarHBondContact O-N 2.96Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 3.26Å; D118-L120 VanDerWaalsContact C-N 3.29Å; D118-L120 PolarHBondContact O-N 3.42Å; D118-M121 PolarHBondContact O-N 3.29Å; D118-M121 WeakPolarHBondContact OD1-CE 3.46Å; D118-L122 WeakPolarHBondContact O-CB 3.32Å; D118-L122 PolarHBondContact O-N 2.91Å |
| 119 | L | 91.4 | Very high | 87 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 45% | 0.445 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 173.8 | -71.5 | 175 | 0 | 0 | 0 | 111.3 | L88 V115 L116 L122 A123 | L88-L119 HydrophobicContact CD1-CD2 3.98Å; L88-L119 HydrophobicContact CD1-CG 4.13Å; L88-L119 HydrophobicContact CD2-CD2 4.07Å; V115-L119 HydrophobicContact CG1-CD1 4.15Å; V115-L119 HydrophobicContact CG1-CG 4.48Å; V115-L119 VanDerWaalsContact O-CG 3.28Å; V115-L119 WeakPolarHBondContact O-CG 3.3Å; V115-L119 PolarHBondContact O-N 3.41Å; L116-L119 PolarHBondContact O-N 2.83Å; L119-L122 PolarHBondContact O-N 3.37Å; L119-A123 VanDerWaalsContact O-CB 3.27Å; L119-A123 WeakPolarHBondContact O-CB 3.32Å; L119-A123 PolarHBondContact O-N 3.31Å |
| 120 | L | 89.9 | Confident | 86.9 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 174 | 177.9 | 66 | 0 | 0 | 0 | 111.2 | Y66 L116 A117 D118 A123 M124 | Y66-L120 HydrophobicContact CD1-CD2 4.47Å; Y66-L120 HydrophobicContact CE1-CD2 3.98Å; Y66-L120 HydrophobicContact CE1-CG 4.29Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 PolarHBondContact O-N 2.97Å; A117-L120 WeakPolarHBondContact O-CB 3.41Å; A117-L120 PolarHBondContact O-N 3.42Å; D118-L120 VanDerWaalsContact C-N 3.29Å; D118-L120 PolarHBondContact O-N 3.42Å; L120-A123 PolarHBondContact O-N 2.94Å; L120-M124 HydrophobicContact CD1-CE 4.4Å; L120-M124 HydrophobicContact CD2-CE 4.42Å; L120-M124 HydrophobicContact CG-CE 3.84Å; L120-M124 PolarHBondContact O-N 3.28Å |
| 121 | M | 84.8 | Confident | 86.8 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.6 | -75.2 | -169.9 | -67 | 0 | 0 | 111.9 | Y66 M75 L84 W87 A117 D118 A123 M124 Y125 | Y66-M121 HydrophobicContact CD1-CG 4.19Å; Y66-M121 HydrophobicContact CE1-CB 4.47Å; Y66-M121 HydrophobicContact CE1-CG 3.24Å; Y66-M121 HydrophobicContact CE1-SD 4.16Å; Y66-M121 VanDerWaalsContact CZ-CG 3.5Å; Y66-M121 WeakPolarHBondContact OH-CG 3.43Å; M75-M121 HydrophobicContact CE-CB 4.01Å; M75-M121 HydrophobicContact CE-CG 4.38Å; M75-M121 WeakPolarHBondContact CE-O 3.06Å; L84-M121 HydrophobicContact CD2-CB 4.26Å; W87-M121 HydrophobicContact CE3-CE 4.18Å; W87-M121 HydrophobicContact CH2-CE 4.3Å; W87-M121 HydrophobicContact CZ3-CE 3.88Å; A117-M121 WeakPolarHBondContact O-CG 3.44Å; A117-M121 PolarHBondContact O-N 2.71Å; D118-M121 PolarHBondContact O-N 3.29Å; D118-M121 WeakPolarHBondContact OD1-CE 3.46Å; M121-A123 VanDerWaalsContact C-N 3.32Å; M121-A123 PolarHBondContact O-N 3.1Å; M121-M124 PolarHBondContact O-N 3.47Å; M121-Y125 WeakPolarHBondContact O-CB 3.49Å; M121-Y125 PolarHBondContact O-N 3.13Å |
| 122 | L | 87.6 | Confident | 86.6 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 179.3 | -171.8 | 63.9 | 0 | 0 | 0 | 111.6 | L84 L85 L88 D118 L119 Y125 T126 | L84-L122 HydrophobicContact CB-CD1 4.49Å; L85-L122 HydrophobicContact CD2-CD1 4.49Å; L85-L122 HydrophobicContact CD2-CD2 4.35Å; L88-L122 HydrophobicContact CD2-CD2 3.88Å; D118-L122 WeakPolarHBondContact O-CB 3.32Å; D118-L122 PolarHBondContact O-N 2.91Å; L119-L122 PolarHBondContact O-N 3.37Å; L122-Y125 PolarHBondContact O-N 3.13Å; L122-T126 HydrophobicContact CD1-CG2 4.48Å; L122-T126 WeakPolarHBondContact O-CB 3.44Å; L122-T126 VanDerWaalsContact O-CG2 3.32Å; L122-T126 WeakPolarHBondContact O-CG2 3.45Å; L122-T126 PolarHBondContact O-N 2.79Å; L122-T126 PolarHBondContact O-OG1 2.97Å |
| 123 | A | 88.4 | Confident | 86.1 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L119 L120 M121 T126 Y127 | L119-A123 VanDerWaalsContact O-CB 3.27Å; L119-A123 WeakPolarHBondContact O-CB 3.32Å; L119-A123 PolarHBondContact O-N 3.31Å; L120-A123 PolarHBondContact O-N 2.94Å; M121-A123 VanDerWaalsContact C-N 3.32Å; M121-A123 PolarHBondContact O-N 3.1Å; A123-T126 WeakPolarHBondContact CA-OG1 3.46Å; A123-T126 PolarHBondContact O-N 3.44Å; A123-T126 PolarHBondContact O-OG1 2.82Å; A123-Y127 WeakPolarHBondContact O-CB 2.99Å; A123-Y127 PolarHBondContact O-N 3.37Å |
| 124 | M | 84.6 | Confident | 85.5 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 15% | 0.148 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 175.2 | -73.7 | -174.6 | -72 | 0 | 0 | 112.1 | Y66 M75 L120 M121 T126 Y127 Y128 | Y66-M124 HydrophobicContact CD1-CE 3.37Å; Y66-M124 HydrophobicContact CE1-CE 3.57Å; M75-M124 HydrophobicContact CE-CB 3.85Å; M75-M124 HydrophobicContact CE-CE 4.45Å; M75-M124 HydrophobicContact SD-CB 3.57Å; M75-M124 VanDerWaalsContact SD-CB 3.57Å; L120-M124 HydrophobicContact CD1-CE 4.4Å; L120-M124 HydrophobicContact CD2-CE 4.42Å; L120-M124 HydrophobicContact CG-CE 3.84Å; L120-M124 PolarHBondContact O-N 3.28Å; M121-M124 PolarHBondContact O-N 3.47Å; M124-T126 PolarHBondContact O-N 3.28Å; M124-Y127 PolarHBondContact O-N 2.96Å; M124-Y128 HydrophobicContact CB-CE2 4.5Å; M124-Y128 WeakPolarHBondContact O-CD2 3.4Å; M124-Y128 PolarHBondContact O-N 3.5Å |
| 125 | Y | 84.6 | Confident | 85 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 176.7 | 175.1 | -87.7 | 0 | 0 | 0 | 111.6 | D76 V81 L84 M121 L122 Y128 K129 | D76-Y125 VanDerWaalsContact CA-CE2 3.46Å; D76-Y125 HydrophobicContact CB-CD2 4.25Å; D76-Y125 HydrophobicContact CB-CE2 3.82Å; V81-Y125 HydrophobicContact CB-CE1 3.94Å; V81-Y125 HydrophobicContact CG2-CE1 3.88Å; L84-Y125 HydrophobicContact CD1-CD2 3.91Å; L84-Y125 HydrophobicContact CD1-CG 3.9Å; M121-Y125 WeakPolarHBondContact O-CB 3.49Å; M121-Y125 PolarHBondContact O-N 3.13Å; L122-Y125 PolarHBondContact O-N 3.13Å; Y125-Y128 PolarHBondContact O-N 3.27Å; Y125-K129 HydrophobicContact CE1-CD 3.63Å; Y125-K129 VanDerWaalsContact O-CB 3.24Å; Y125-K129 WeakPolarHBondContact O-CB 3.27Å; Y125-K129 PolarHBondContact O-N 3.38Å; Y125-K129 PolarHBondContact OH-NZ 2.72Å; Y125-K129 VanDerWaalsContact OH-NZ 3.09Å |
| 126 | T | 84.8 | Confident | 84.4 | Confident | 72 Ų | 72 | 74.5 Ų | 74.5 | 44% | 0.442 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | -179.7 | 53 | 0 | 0 | 0 | 0 | 111.7 | L122 A123 M124 M130 | L122-T126 HydrophobicContact CD1-CG2 4.48Å; L122-T126 WeakPolarHBondContact O-CB 3.44Å; L122-T126 VanDerWaalsContact O-CG2 3.32Å; L122-T126 WeakPolarHBondContact O-CG2 3.45Å; L122-T126 PolarHBondContact O-N 2.79Å; L122-T126 PolarHBondContact O-OG1 2.97Å; A123-T126 WeakPolarHBondContact CA-OG1 3.46Å; A123-T126 PolarHBondContact O-N 3.44Å; A123-T126 PolarHBondContact O-OG1 2.82Å; M124-T126 PolarHBondContact O-N 3.28Å; T126-M130 WeakPolarHBondContact O-CB 3.35Å; T126-M130 PolarHBondContact O-N 3.09Å |
| 127 | Y | 86 | Confident | 83.7 | Confident | 126 Ų | 126 | 77 Ų | 77 | 49% | 0.494 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.8 | -53.7 | 173.8 | 174.9 | -96.8 | 0 | 0 | 0 | 111.9 | A123 M124 M130 R131 | A123-Y127 WeakPolarHBondContact O-CB 2.99Å; A123-Y127 PolarHBondContact O-N 3.37Å; M124-Y127 PolarHBondContact O-N 2.96Å; Y127-M130 PolarHBondContact O-N 3.44Å; Y127-R131 WeakPolarHBondContact O-CB 3.32Å; Y127-R131 PolarHBondContact O-N 3.39Å |
| 128 | Y | 82.4 | Confident | 83.2 | Confident | 30 Ų | 30 | 84.4 Ų | 84.4 | 12% | 0.118 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | -179.8 | -75.5 | -66.5 | 0 | 0 | 0 | 111.9 | G73 M75 M124 Y125 M130 R131 H132 | G73-Y128 WeakPolarHBondContact O-CD1 3.44Å; M75-Y128 HydrophobicContact CB-CD2 4.05Å; M124-Y128 HydrophobicContact CB-CE2 4.5Å; M124-Y128 WeakPolarHBondContact O-CD2 3.4Å; M124-Y128 PolarHBondContact O-N 3.5Å; Y125-Y128 PolarHBondContact O-N 3.27Å; Y128-M130 PolarHBondContact O-N 2.87Å; Y128-R131 WeakPolarHBondContact O-CB 3.24Å; Y128-R131 PolarHBondContact O-N 2.85Å; Y128-H132 PolarHBondContact O-CD2 3.01Å; Y128-H132 PolarHBondContact O-N 3.19Å |
| 129 | K | 81.5 | Confident | 82.4 | Confident | 72 Ų | 72 | 87.5 Ų | 87.5 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.4 | -174 | 171.8 | -171.3 | 170.5 | 0 | 112.4 | D76 Y125 H132 R133 | D76-K129 HydrophobicContact CB-CB 4.3Å; Y125-K129 HydrophobicContact CE1-CD 3.63Å; Y125-K129 VanDerWaalsContact O-CB 3.24Å; Y125-K129 WeakPolarHBondContact O-CB 3.27Å; Y125-K129 PolarHBondContact O-N 3.38Å; Y125-K129 PolarHBondContact OH-NZ 2.72Å; Y125-K129 VanDerWaalsContact OH-NZ 3.09Å; K129-H132 PolarHBondContact O-N 2.99Å; K129-R133 WeakPolarHBondContact O-CB 3.49Å; K129-R133 WeakPolarHBondContact O-CG 3.45Å; K129-R133 PolarHBondContact O-N 3.49Å |
| 130 | M | 81.7 | Confident | 81.5 | Confident | 120 Ų | 120 | 86.6 Ų | 86.6 | 59% | 0.591 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.2 | -40.8 | 177.1 | -168.1 | 161.7 | 69.6 | 0 | 0 | 110.8 | T126 Y127 Y128 R133 M134 | T126-M130 WeakPolarHBondContact O-CB 3.35Å; T126-M130 PolarHBondContact O-N 3.09Å; Y127-M130 PolarHBondContact O-N 3.44Å; Y128-M130 PolarHBondContact O-N 2.87Å; M130-R133 PolarHBondContact O-N 2.89Å; M130-M134 HydrophobicContact CG-CG 4.49Å; M130-M134 WeakPolarHBondContact O-CB 3.29Å; M130-M134 WeakPolarHBondContact O-CG 3.21Å; M130-M134 PolarHBondContact O-N 2.78Å |
| 131 | R | 83.3 | Confident | 80.9 | Confident | 140 Ų | 140 | 87.2 Ų | 87.2 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 173.5 | -165.3 | -168.6 | -150.9 | -170.8 | 9.2 | 111.8 | Y127 Y128 R133 M134 V135 | Y127-R131 WeakPolarHBondContact O-CB 3.32Å; Y127-R131 PolarHBondContact O-N 3.39Å; Y128-R131 WeakPolarHBondContact O-CB 3.24Å; Y128-R131 PolarHBondContact O-N 2.85Å; R131-R133 PolarHBondContact O-N 2.86Å; R131-M134 PolarHBondContact O-N 2.98Å; R131-V135 WeakPolarHBondContact O-CG2 3.48Å; R131-V135 PolarHBondContact O-N 3.38Å |
| 132 | H | 80.1 | Confident | 80.5 | Confident | 75 Ų | 75 | 91.8 Ų | 91.8 | 35% | 0.347 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 177.4 | -79.9 | -72 | 0 | 0 | 0 | 112.2 | N74 Y128 K129 M134 V135 H136 | N74-H132 PolarHBondContact OD1-CE1 3.22Å; N74-H132 PolarHBondContact OD1-NE2 2.88Å; Y128-H132 PolarHBondContact O-CD2 3.01Å; Y128-H132 PolarHBondContact O-N 3.19Å; K129-H132 PolarHBondContact O-N 2.99Å; H132-M134 PolarHBondContact O-N 2.96Å; H132-V135 PolarHBondContact O-N 2.89Å; H132-H136 VanDerWaalsContact O-CB 3.27Å; H132-H136 WeakPolarHBondContact O-CB 3.19Å; H132-H136 PolarHBondContact O-N 3Å |
| 133 | R | 77.6 | Confident | 80 | Confident | 180 Ų | 180 | 94 Ų | 94 | 68% | 0.679 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 174.8 | -78.6 | -160.4 | 165.6 | -165 | -4.2 | 112.6 | K129 M130 R131 R137 | K129-R133 WeakPolarHBondContact O-CB 3.49Å; K129-R133 WeakPolarHBondContact O-CG 3.45Å; K129-R133 PolarHBondContact O-N 3.49Å; M130-R133 PolarHBondContact O-N 2.89Å; R131-R133 PolarHBondContact O-N 2.86Å; R133-R137 VanDerWaalsContact O-CB 3.24Å; R133-R137 WeakPolarHBondContact O-CB 3.35Å; R133-R137 PolarHBondContact O-N 3.31Å |
| 134 | M | 77.6 | Confident | 79.6 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 42% | 0.419 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 177 | -72.7 | -66.1 | -145.3 | 0 | 0 | 112.1 | M130 R131 H132 R138 | M130-M134 HydrophobicContact CG-CG 4.49Å; M130-M134 WeakPolarHBondContact O-CB 3.29Å; M130-M134 WeakPolarHBondContact O-CG 3.21Å; M130-M134 PolarHBondContact O-N 2.78Å; R131-M134 PolarHBondContact O-N 2.98Å; H132-M134 PolarHBondContact O-N 2.96Å; M134-R138 WeakPolarHBondContact O-CG 3.41Å; M134-R138 PolarHBondContact O-N 2.84Å |
| 135 | V | 78.4 | Confident | 79.1 | Confident | 84 Ų | 84 | 95.4 Ų | 95.4 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | R131 H132 R137 R138 T139 | R131-V135 WeakPolarHBondContact O-CG2 3.48Å; R131-V135 PolarHBondContact O-N 3.38Å; H132-V135 PolarHBondContact O-N 2.89Å; V135-R137 PolarHBondContact O-N 3.06Å; V135-R138 PolarHBondContact O-N 3.28Å; V135-T139 PolarHBondContact O-N 3.38Å; V135-T139 PolarHBondContact O-OG1 2.79Å; V135-T139 VanDerWaalsContact O-OG1 3.07Å |
| 136 | H | 77.8 | Confident | 78.9 | Confident | 130 Ų | 130 | 99.7 Ų | 99.7 | 60% | 0.602 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 178.1 | -173.7 | 71.2 | 0 | 0 | 0 | 111.9 | H132 R138 T139 V140 | H132-H136 VanDerWaalsContact O-CB 3.27Å; H132-H136 WeakPolarHBondContact O-CB 3.19Å; H132-H136 PolarHBondContact O-N 3Å; H136-R138 VanDerWaalsContact C-N 3.34Å; H136-R138 PolarHBondContact O-N 3.47Å; H136-T139 PolarHBondContact O-N 2.74Å; H136-V140 VanDerWaalsContact O-CG2 3.32Å; H136-V140 WeakPolarHBondContact O-CG2 3.43Å; H136-V140 PolarHBondContact O-N 2.82Å |
| 137 | R | 77.1 | Confident | 78.3 | Confident | 161 Ų | 161 | 99.7 Ų | 99.7 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.7 | -38.9 | 176.2 | -161.9 | 176.6 | 83 | -174.5 | 6.2 | 111.9 | R133 V135 L141 | R133-R137 VanDerWaalsContact O-CB 3.24Å; R133-R137 WeakPolarHBondContact O-CB 3.35Å; R133-R137 PolarHBondContact O-N 3.31Å; V135-R137 PolarHBondContact O-N 3.06Å; R137-L141 HydrophobicContact CG-CD1 4.26Å; R137-L141 WeakPolarHBondContact O-CB 3.32Å; R137-L141 WeakPolarHBondContact O-CD1 3.42Å; R137-L141 WeakPolarHBondContact O-CG 3.15Å; R137-L141 PolarHBondContact O-N 2.92Å |
| 138 | R | 76.9 | Confident | 77.5 | Confident | 170 Ų | 170 | 97 Ų | 97 | 64% | 0.642 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 172.3 | -76.1 | -174.5 | -141.2 | -153.2 | 2.7 | 112.1 | M134 V135 H136 V140 L141 N142 | M134-R138 WeakPolarHBondContact O-CG 3.41Å; M134-R138 PolarHBondContact O-N 2.84Å; V135-R138 PolarHBondContact O-N 3.28Å; H136-R138 VanDerWaalsContact C-N 3.34Å; H136-R138 PolarHBondContact O-N 3.47Å; R138-V140 VanDerWaalsContact C-N 3.35Å; R138-L141 PolarHBondContact O-N 3.45Å; R138-N142 VanDerWaalsContact O-CB 3.31Å; R138-N142 WeakPolarHBondContact O-CB 3.35Å; R138-N142 PolarHBondContact O-N 2.88Å; R138-N142 PolarHBondContact O-OD1 3.13Å |
| 139 | T | 74.7 | Confident | 77 | Confident | 72 Ų | 72 | 100 Ų | 100 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | V135 H136 N142 V143 | V135-T139 PolarHBondContact O-N 3.38Å; V135-T139 PolarHBondContact O-OG1 2.79Å; V135-T139 VanDerWaalsContact O-OG1 3.07Å; H136-T139 PolarHBondContact O-N 2.74Å; T139-N142 PolarHBondContact O-N 2.98Å; T139-V143 HydrophobicContact CG2-CG2 4.27Å; T139-V143 WeakPolarHBondContact O-CB 3.31Å; T139-V143 WeakPolarHBondContact O-CG2 3.47Å; T139-V143 PolarHBondContact O-N 2.88Å |
| 140 | V | 72.1 | Confident | 76.3 | Confident | 67 Ų | 67 | 102 Ų | 102 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | H136 R138 N142 V143 V144 | H136-V140 VanDerWaalsContact O-CG2 3.32Å; H136-V140 WeakPolarHBondContact O-CG2 3.43Å; H136-V140 PolarHBondContact O-N 2.82Å; R138-V140 VanDerWaalsContact C-N 3.35Å; V140-N142 VanDerWaalsContact C-N 3.33Å; V140-N142 PolarHBondContact O-N 3.44Å; V140-V143 PolarHBondContact O-N 2.9Å; V140-V144 HydrophobicContact CG1-CG2 4.18Å; V140-V144 WeakPolarHBondContact O-CB 3.45Å; V140-V144 WeakPolarHBondContact O-CG2 3.31Å; V140-V144 PolarHBondContact O-N 3.36Å |
| 141 | L | 76.9 | Confident | 75.4 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.3 | -42.3 | 174.9 | -87.7 | 155.8 | 0 | 0 | 0 | 112.3 | R137 R138 G145 | R137-L141 HydrophobicContact CG-CD1 4.26Å; R137-L141 WeakPolarHBondContact O-CB 3.32Å; R137-L141 WeakPolarHBondContact O-CD1 3.42Å; R137-L141 WeakPolarHBondContact O-CG 3.15Å; R137-L141 PolarHBondContact O-N 2.92Å; R138-L141 PolarHBondContact O-N 3.45Å; L141-G145 PolarHBondContact O-N 3.49Å |
| 142 | N | 77.4 | Confident | 74.3 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.5 | -40.4 | 177.9 | -72.1 | -2.5 | 0 | 0 | 0 | 111.9 | R138 T139 V140 G145 I146 | R138-N142 VanDerWaalsContact O-CB 3.31Å; R138-N142 WeakPolarHBondContact O-CB 3.35Å; R138-N142 PolarHBondContact O-N 2.88Å; R138-N142 PolarHBondContact O-OD1 3.13Å; T139-N142 PolarHBondContact O-N 2.98Å; V140-N142 VanDerWaalsContact C-N 3.33Å; V140-N142 PolarHBondContact O-N 3.44Å; N142-G145 PolarHBondContact O-N 2.7Å; N142-I146 WeakPolarHBondContact O-CB 3.13Å; N142-I146 WeakPolarHBondContact O-CD1 3.31Å; N142-I146 WeakPolarHBondContact O-CG1 3.21Å; N142-I146 PolarHBondContact O-N 3.48Å |
| 143 | V | 76.9 | Confident | 73.1 | Confident | 82 Ų | 82 | 98.7 Ų | 98.7 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 110.3 | T139 V140 G145 I146 S147 | T139-V143 HydrophobicContact CG2-CG2 4.27Å; T139-V143 WeakPolarHBondContact O-CB 3.31Å; T139-V143 WeakPolarHBondContact O-CG2 3.47Å; T139-V143 PolarHBondContact O-N 2.88Å; V140-V143 PolarHBondContact O-N 2.9Å; V143-G145 VanDerWaalsContact C-N 3.31Å; V143-G145 PolarHBondContact O-N 2.93Å; V143-I146 PolarHBondContact O-N 3.45Å; V143-S147 WeakPolarHBondContact O-CB 3.47Å; V143-S147 PolarHBondContact O-N 2.86Å; V143-S147 PolarHBondContact O-OG 3.43Å; V143-S147 VanDerWaalsContact O-OG 3.05Å |
| 144 | V | 79.6 | Confident | 72 | Confident | 78 Ų | 78 | 94.1 Ų | 94.1 | 47% | 0.473 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | V140 S147 C148 | V140-V144 HydrophobicContact CG1-CG2 4.18Å; V140-V144 WeakPolarHBondContact O-CB 3.45Å; V140-V144 WeakPolarHBondContact O-CG2 3.31Å; V140-V144 PolarHBondContact O-N 3.36Å; V144-S147 PolarHBondContact O-N 3.29Å; V144-C148 VanDerWaalsContact O-CB 3.32Å; V144-C148 WeakPolarHBondContact O-CB 3.29Å; V144-C148 PolarHBondContact O-N 3.22Å; V144-C148 PolarHBondContact O-SG 3.44Å |
| 145 | G | 73.4 | Confident | 70.8 | Confident | 33 Ų | 33 | 92.2 Ų | 92.2 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L141 N142 V143 C148 V149 | L141-G145 PolarHBondContact O-N 3.49Å; N142-G145 PolarHBondContact O-N 2.7Å; V143-G145 VanDerWaalsContact C-N 3.31Å; V143-G145 PolarHBondContact O-N 2.93Å; G145-C148 PolarHBondContact O-N 3.49Å; G145-V149 VanDerWaalsContact O-CG2 3.3Å; G145-V149 WeakPolarHBondContact O-CG2 3.31Å; G145-V149 PolarHBondContact O-N 3.29Å |
| 146 | I | 79.8 | Confident | 69.5 | Low | 103 Ų | 103 | 95.9 Ų | 95.9 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 176.7 | -69.9 | 164.9 | 0 | 0 | 0 | 111 | N142 V143 C148 V149 L150 | N142-I146 WeakPolarHBondContact O-CB 3.13Å; N142-I146 WeakPolarHBondContact O-CD1 3.31Å; N142-I146 WeakPolarHBondContact O-CG1 3.21Å; N142-I146 PolarHBondContact O-N 3.48Å; V143-I146 PolarHBondContact O-N 3.45Å; I146-C148 VanDerWaalsContact C-N 3.33Å; I146-C148 PolarHBondContact O-N 3.25Å; I146-V149 PolarHBondContact O-N 3.41Å; I146-L150 HydrophobicContact CG2-CD1 3.82Å; I146-L150 HydrophobicContact CG2-CG 4.48Å; I146-L150 WeakPolarHBondContact O-CB 3.48Å; I146-L150 WeakPolarHBondContact O-CG 3.48Å; I146-L150 PolarHBondContact O-N 3.23Å |
| 147 | S | 72.6 | Confident | 67.9 | Low | 71 Ų | 71 | 93.2 Ų | 93.2 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 175.4 | -66 | 0 | 0 | 0 | 0 | 112.3 | V143 V144 G151 | V143-S147 WeakPolarHBondContact O-CB 3.47Å; V143-S147 PolarHBondContact O-N 2.86Å; V143-S147 PolarHBondContact O-OG 3.43Å; V143-S147 VanDerWaalsContact O-OG 3.05Å; V144-S147 PolarHBondContact O-N 3.29Å; S147-G151 PolarHBondContact O-N 3.49Å |
| 148 | C | 69.4 | Low | 65.9 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 47% | 0.466 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.8 | -41 | 173.9 | -75.4 | 0 | 0 | 0 | 0 | 111.9 | V144 G145 I146 G151 L152 | V144-C148 VanDerWaalsContact O-CB 3.32Å; V144-C148 WeakPolarHBondContact O-CB 3.29Å; V144-C148 PolarHBondContact O-N 3.22Å; V144-C148 PolarHBondContact O-SG 3.44Å; G145-C148 PolarHBondContact O-N 3.49Å; I146-C148 VanDerWaalsContact C-N 3.33Å; I146-C148 PolarHBondContact O-N 3.25Å; C148-G151 PolarHBondContact O-N 3.19Å; C148-L152 VanDerWaalsContact O-CB 3.29Å; C148-L152 WeakPolarHBondContact O-CB 3.44Å; C148-L152 WeakPolarHBondContact O-CD1 3.49Å; C148-L152 VanDerWaalsContact O-CG 3.28Å; C148-L152 WeakPolarHBondContact O-CG 3.38Å; C148-L152 PolarHBondContact O-N 3.41Å |
| 149 | V | 71.5 | Confident | 64 | Low | 94 Ų | 94 | 93.8 Ų | 93.8 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.1 | -42.5 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | G145 I146 L152 T153 | G145-V149 VanDerWaalsContact O-CG2 3.3Å; G145-V149 WeakPolarHBondContact O-CG2 3.31Å; G145-V149 PolarHBondContact O-N 3.29Å; I146-V149 PolarHBondContact O-N 3.41Å; V149-L152 PolarHBondContact O-N 2.92Å; V149-T153 PolarHBondContact O-N 2.93Å; V149-T153 VanDerWaalsContact O-N 3.11Å; V149-T153 PolarHBondContact O-OG1 3.32Å |
| 150 | L | 67.6 | Low | 62.3 | Low | 115 Ų | 115 | 96.6 Ų | 96.6 | 60% | 0.602 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.6 | -36.4 | 173.9 | -72.2 | 167.3 | 0 | 0 | 0 | 112.1 | I146 T153 A154 | I146-L150 HydrophobicContact CG2-CD1 3.82Å; I146-L150 HydrophobicContact CG2-CG 4.48Å; I146-L150 WeakPolarHBondContact O-CB 3.48Å; I146-L150 WeakPolarHBondContact O-CG 3.48Å; I146-L150 PolarHBondContact O-N 3.23Å; L150-T153 WeakPolarHBondContact CA-OG1 3.39Å; L150-T153 PolarHBondContact O-OG1 3.01Å; L150-A154 PolarHBondContact O-N 3.46Å |
| 151 | G | 63.2 | Low | 60.5 | Low | 41 Ų | 41 | 96.3 Ų | 96.3 | 42% | 0.423 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.7 | -36.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | S147 C148 A154 G155 | S147-G151 PolarHBondContact O-N 3.49Å; C148-G151 PolarHBondContact O-N 3.19Å; G151-A154 CarbonylContact O-C 3.55Å; G151-A154 PolarHBondContact O-N 2.8Å; G151-A154 VanDerWaalsContact O-N 3.17Å; G151-G155 PolarHBondContact O-N 3.3Å |
| 152 | L | 58.8 | Low | 58.2 | Low | 120 Ų | 120 | 98.2 Ų | 98.2 | 63% | 0.628 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.8 | -33.2 | 176.3 | -83.2 | 158.5 | 0 | 0 | 0 | 112.3 | C148 V149 A154 G155 | C148-L152 VanDerWaalsContact O-CB 3.29Å; C148-L152 WeakPolarHBondContact O-CB 3.44Å; C148-L152 WeakPolarHBondContact O-CD1 3.49Å; C148-L152 VanDerWaalsContact O-CG 3.28Å; C148-L152 WeakPolarHBondContact O-CG 3.38Å; C148-L152 PolarHBondContact O-N 3.41Å; V149-L152 PolarHBondContact O-N 2.92Å; L152-A154 VanDerWaalsContact C-N 3.26Å; L152-A154 PolarHBondContact O-N 3.33Å; L152-G155 PolarHBondContact O-N 3.5Å |
| 153 | T | 55.5 | Low | 55.8 | Low | 103 Ų | 103 | 100.3 Ų | 100.3 | 63% | 0.632 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.1 | -23.7 | 171.2 | 48 | 0 | 0 | 0 | 0 | 113.3 | V149 L150 | V149-T153 PolarHBondContact O-N 2.93Å; V149-T153 VanDerWaalsContact O-N 3.11Å; V149-T153 PolarHBondContact O-OG1 3.32Å; L150-T153 WeakPolarHBondContact CA-OG1 3.39Å; L150-T153 PolarHBondContact O-OG1 3.01Å |
| 154 | A | 54.4 | Low | 54.1 | Low | 84 Ų | 84 | 102.2 Ų | 102.2 | 69% | 0.694 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92.4 | -21.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L150 G151 L152 | L150-A154 PolarHBondContact O-N 3.46Å; G151-A154 CarbonylContact O-C 3.55Å; G151-A154 PolarHBondContact O-N 2.8Å; G151-A154 VanDerWaalsContact O-N 3.17Å; L152-A154 VanDerWaalsContact C-N 3.26Å; L152-A154 PolarHBondContact O-N 3.33Å |
| 155 | G | 52.1 | Low | 51.9 | Low | 46 Ų | 46 | 106 Ų | 106 | 47% | 0.474 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -92.2 | -1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G151 L152 A157 | G151-G155 PolarHBondContact O-N 3.3Å; L152-G155 PolarHBondContact O-N 3.5Å; G155-A157 PolarHBondContact O-N 2.96Å |
| 156 | L | 51.2 | Low | 49.9 | Very low | 161 Ų | 161 | 110 Ų | 110 | 84% | 0.843 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 9 | 178.9 | -105.6 | 159.2 | 0 | 0 | 0 | 115 | ||
| 157 | A | 44.1 | Very low | 47.8 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 61% | 0.612 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -19.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G155 | G155-A157 PolarHBondContact O-N 2.96Š|
| 158 | H | 35.6 | Very low | 45.8 | Very low | 179 Ų | 179 | 118.8 Ų | 118.8 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | -154.5 | 117.6 | -179.8 | -82 | -71.6 | 0 | 0 | 0 | 115.3 | ||||
| 159 | L | 36.3 | Very low | 43.9 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 86% | 0.859 | 72% | 0.72 | S | S | * | * | trans | -118.4 | 157.1 | 153.8 | -91.4 | 164.1 | 0 | 0 | 0 | 107 | ||||
| 160 | P | 40.6 | Very low | 41.8 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 84% | 0.844 | 73% | 0.734 | S | S | * | * | cis | -136.2 | -177.9 | 41.4 | 33.4 | -11 | 0 | 0 | 0 | 113.1 | ||||
| 161 | G | 33.2 | Very low | 40.2 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | cis | 170 | 170.5 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 162 | V | 28.6 | Very low | 38.6 | Very low | 148 Ų | 148 | 128 Ų | 128 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | 96.2 | 120.2 | 157.3 | -170 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 163 | D | 28.3 | Very low | 37.2 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -80.1 | 179.9 | 169.9 | -64 | -52.2 | 0 | 0 | 0 | 113 | ||||
| 164 | P | 40.6 | Very low | 36.2 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | cis | -139.5 | 172 | 11.1 | 36.4 | -13 | 0 | 0 | 0 | 118.9 | ||||
| 165 | E | 32.2 | Very low | 35.1 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -31.3 | 155.4 | 167 | -91.7 | -82.1 | 137.2 | 0 | 0 | 119.2 | E167 | E165-E167 PolarHBondContact OE2-N 3.28Š| ||
| 166 | P | 33 | Very low | 34.4 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | -150.2 | 140.6 | 88.8 | 36 | -15.7 | 0 | 0 | 0 | 118.9 | |||||
| 167 | E | 35.6 | Very low | 33.4 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | 16 | 122.8 | 137 | -113.3 | -177.9 | 165.2 | 0 | 0 | 119.4 | E165 | E165-E167 PolarHBondContact OE2-N 3.28Š| ||
| 168 | M | 29.1 | Very low | 32.8 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -130.6 | 116.8 | 165.8 | -159.9 | -176.9 | -68.3 | 0 | 0 | 111.6 | ||||
| 169 | I | 29.7 | Very low | 32.5 | Very low | 151 Ų | 151 | 147 Ų | 147 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -77.9 | 127.1 | 176.5 | -65.8 | 173 | 0 | 0 | 0 | 109.9 | ||||
| 170 | F | 28.7 | Very low | 32.4 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -89 | 108.2 | 171.3 | -168.6 | -96.2 | 0 | 0 | 0 | 110.1 | ||||
| 171 | S | 33.2 | Very low | 31.9 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -93.4 | 122.5 | 167.5 | 84.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 172 | G | 29.1 | Very low | 32.2 | Very low | 54 Ų | 54 | 146.5 Ų | 146.5 | 56% | 0.557 | 79% | 0.791 | S | S | * | * | trans | -145.6 | 115.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 173 | F | 30.4 | Very low | 32.4 | Very low | 204 Ų | 204 | 146.6 Ų | 146.6 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | 74.9 | 103.6 | 156.8 | -100.5 | -101.9 | 0 | 0 | 0 | 120.8 | ||||
| 174 | R | 33.4 | Very low | 33 | Very low | 210 Ų | 210 | 145.5 Ų | 145.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -86 | 110.9 | 158.7 | -168.7 | -177.6 | -159.4 | -170 | 8.8 | 108.8 | ||||
| 175 | S | 31.8 | Very low | 32.8 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -79.3 | 134 | 171 | -71 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 176 | R | 37.1 | Very low | 33.2 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -127.9 | 136.8 | 160.9 | -77 | -172.9 | 177.6 | -169.6 | -0.1 | 108.3 | ||||
| 177 | S | 31.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -177.3 | 144.8 | 160 | -167.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 178 | L | 30.6 | Very low | 34 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | cis | -161.8 | 168.2 | -31 | -151.3 | 139.1 | 0 | 0 | 0 | 106.1 | ||||
| 179 | L | 29.6 | Very low | 34.6 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -48.2 | 138.8 | 179.6 | -144.4 | 72.2 | 0 | 0 | 0 | 116 | ||||
| 180 | S | 35.3 | Very low | 35.6 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -75.2 | 136.6 | 164.8 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 181 | T | 29.6 | Very low | 37.2 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | trans | -131.8 | 127.9 | 165 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 182 | T | 39.9 | Very low | 38.6 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | trans | -80.3 | 140.4 | 170.3 | -39.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 183 | D | 32 | Very low | 40.1 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | trans | -164.9 | 113.9 | 133 | -94.1 | -27.2 | 0 | 0 | 0 | 113.6 | ||||
| 184 | T | 41.7 | Very low | 41.6 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | -15.8 | 125.2 | 145.4 | -12.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 185 | S | 35.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | trans | -152.1 | 132 | 140.3 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 186 | S | 40.2 | Very low | 45 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -74.8 | 117.9 | -167.4 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 187 | I | 39.9 | Very low | 46.4 | Very low | 151 Ų | 151 | 111.3 Ų | 111.3 | 77% | 0.774 | 63% | 0.632 | S | S | * | * | trans | -133.2 | 143.3 | 152.2 | -59 | 178.7 | 0 | 0 | 0 | 105.4 | ||||
| 188 | Q | 45.5 | Very low | 48.3 | Very low | 166 Ų | 166 | 109.5 Ų | 109.5 | 78% | 0.776 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -30.1 | 136 | -178 | -73.4 | -80.7 | -30.3 | 0 | 0 | 113.9 | F190 | Q188-F190 PolarHBondContact O-N 3.46Š|
| 189 | P | 42.4 | Very low | 50.5 | Low | 115 Ų | 115 | 104.9 Ų | 104.9 | 75% | 0.747 | 59% | 0.59 | S | S | * | * | trans | -69.6 | 101 | -158.1 | 29.1 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 190 | F | 50 | Low | 52.8 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 33% | 0.325 | 56% | 0.561 | S | S | . | * | trans | -52.3 | 139.7 | 148.7 | -73.7 | -88 | 0 | 0 | 0 | 108.1 | Q188 E194 I195 H286 | Q188-F190 PolarHBondContact O-N 3.46Å; F190-E194 HydrophobicContact CB-CB 4.44Å; F190-E194 HydrophobicContact CD1-CB 4.25Å; F190-I195 HydrophobicContact CB-CD1 3.82Å; F190-I195 HydrophobicContact CB-CG1 3.31Å; F190-I195 HydrophobicContact CG-CG1 4.12Å; F190-H286 AromaticContact CD1-NE2 3.67Å; F190-H286 AromaticContact CE1-CD2 3.95Å; F190-H286 AromaticContact CE1-CE1 3.86Å; F190-H286 AromaticContact CE1-NE2 3.38Å; F190-H286 WeakPolarHBondContact CE1-NE2 3.41Å | ||
| 191 | T | 61.3 | Low | 54.8 | Low | 59 Ų | 59 | 94 Ų | 94 | 36% | 0.362 | 52% | 0.524 | S | S | . | . | trans | -62.2 | 144.4 | 170.7 | 68.9 | 0 | 0 | 0 | 0 | 108.4 | R193 E194 I195 | T191-R193 PolarHBondContact O-N 3.39Å; T191-E194 WeakPolarHBondContact CG2-OE1 3.42Å; T191-E194 PolarHBondContact N-OE2 2.66Å; T191-E194 WeakPolarHBondContact O-CB 3.32Å; T191-E194 PolarHBondContact O-N 3.02Å; T191-E194 VanDerWaalsContact OG1-CG 3.23Å; T191-E194 WeakPolarHBondContact OG1-CG 3.34Å; T191-E194 PolarHBondContact OG1-N 3.43Å; T191-E194 PolarHBondContact OG1-OE1 2.87Å; T191-E194 PolarHBondContact OG1-OE2 3.3Å; T191-I195 PolarHBondContact O-N 3.42Å; T191-I195 VanDerWaalsContact O-N 3.13Å | ||
| 192 | P | 63 | Low | 57.1 | Low | 98 Ų | 98 | 89.6 Ų | 89.6 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -53.2 | -28.7 | 179.5 | -28 | 34.5 | 0 | 0 | 0 | 113 | I196 | P192-I196 VanDerWaalsContact O-CD1 3.28Å; P192-I196 WeakPolarHBondContact O-CD1 3.43Å; P192-I196 WeakPolarHBondContact O-CG1 3.41Å; P192-I196 PolarHBondContact O-N 3.45Å |
| 193 | R | 60.7 | Low | 59 | Low | 150 Ų | 150 | 88.4 Ų | 88.4 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.5 | -44.8 | 174.6 | -69.3 | -177.2 | 177.5 | -123.3 | -2.4 | 112.7 | L100 D102 T191 I196 G197 | L100-R193 WeakPolarHBondContact O-CB 3.44Å; D102-R193 IonicContact OD2-NH1 3.73Å; T191-R193 PolarHBondContact O-N 3.39Å; R193-I196 PolarHBondContact O-N 2.94Å; R193-G197 PolarHBondContact O-N 2.98Å |
| 194 | E | 62.1 | Low | 61.3 | Low | 69 Ų | 69 | 81.2 Ų | 81.2 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 176 | -73.4 | 149.7 | -148.8 | 0 | 0 | 112.5 | F190 T191 I196 G197 F198 | F190-E194 HydrophobicContact CB-CB 4.44Å; F190-E194 HydrophobicContact CD1-CB 4.25Å; T191-E194 WeakPolarHBondContact CG2-OE1 3.42Å; T191-E194 PolarHBondContact N-OE2 2.66Å; T191-E194 WeakPolarHBondContact O-CB 3.32Å; T191-E194 PolarHBondContact O-N 3.02Å; T191-E194 VanDerWaalsContact OG1-CG 3.23Å; T191-E194 WeakPolarHBondContact OG1-CG 3.34Å; T191-E194 PolarHBondContact OG1-N 3.43Å; T191-E194 PolarHBondContact OG1-OE1 2.87Å; T191-E194 PolarHBondContact OG1-OE2 3.3Å; E194-I196 VanDerWaalsContact C-N 3.32Å; E194-I196 PolarHBondContact O-N 3.04Å; E194-G197 PolarHBondContact O-N 2.74Å; E194-F198 WeakPolarHBondContact O-CB 3.35Å; E194-F198 PolarHBondContact O-N 3.15Å |
| 195 | I | 68 | Low | 63.1 | Low | 86 Ų | 86 | 75.6 Ų | 75.6 | 44% | 0.441 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 178.6 | -59.3 | 175.3 | 0 | 0 | 0 | 110.5 | F190 T191 S199 | F190-I195 HydrophobicContact CB-CD1 3.82Å; F190-I195 HydrophobicContact CB-CG1 3.31Å; F190-I195 HydrophobicContact CG-CG1 4.12Å; T191-I195 PolarHBondContact O-N 3.42Å; T191-I195 VanDerWaalsContact O-N 3.13Å; I195-S199 WeakPolarHBondContact O-CB 3.44Å; I195-S199 PolarHBondContact O-N 3.4Å; I195-S199 PolarHBondContact O-OG 2.95Å |
| 196 | I | 68.3 | Low | 65.1 | Low | 82 Ų | 82 | 74.1 Ų | 74.1 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 178 | -63.5 | 164.1 | 0 | 0 | 0 | 109.8 | L100 P192 R193 E194 F198 S199 I200 | L100-I196 HydrophobicContact CD2-CB 4.12Å; L100-I196 HydrophobicContact CD2-CG2 3.34Å; P192-I196 VanDerWaalsContact O-CD1 3.28Å; P192-I196 WeakPolarHBondContact O-CD1 3.43Å; P192-I196 WeakPolarHBondContact O-CG1 3.41Å; P192-I196 PolarHBondContact O-N 3.45Å; R193-I196 PolarHBondContact O-N 2.94Å; E194-I196 VanDerWaalsContact C-N 3.32Å; E194-I196 PolarHBondContact O-N 3.04Å; I196-F198 PolarHBondContact O-N 3.4Å; I196-S199 PolarHBondContact O-N 3.27Å; I196-I200 HydrophobicContact CG2-CD1 3.51Å; I196-I200 HydrophobicContact CG2-CG1 4.16Å; I196-I200 WeakPolarHBondContact O-CB 3.37Å; I196-I200 VanDerWaalsContact O-CG1 3.23Å; I196-I200 WeakPolarHBondContact O-CG1 3.43Å; I196-I200 PolarHBondContact O-N 3.38Å |
| 197 | G | 67.3 | Low | 66.9 | Low | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R193 E194 I200 G201 | R193-G197 PolarHBondContact O-N 2.98Å; E194-G197 PolarHBondContact O-N 2.74Å; G197-I200 PolarHBondContact O-N 3.3Å; G197-G201 PolarHBondContact O-N 2.98Å |
| 198 | F | 71.8 | Confident | 68.6 | Low | 79 Ų | 79 | 65.4 Ų | 65.4 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.5 | -177.4 | -86.9 | 0 | 0 | 0 | 112.2 | E194 I196 G201 S202 P289 | E194-F198 WeakPolarHBondContact O-CB 3.35Å; E194-F198 PolarHBondContact O-N 3.15Å; I196-F198 PolarHBondContact O-N 3.4Å; F198-G201 PolarHBondContact O-N 3.24Å; F198-S202 WeakPolarHBondContact O-CB 3.42Å; F198-S202 PolarHBondContact O-N 2.91Å; F198-S202 PolarHBondContact O-OG 2.92Å; F198-P289 HydrophobicContact CD2-CG 3.46Å; F198-P289 VanDerWaalsContact CD2-CG 3.46Å; F198-P289 HydrophobicContact CE1-CG 4.46Å; F198-P289 HydrophobicContact CE2-CG 3.42Å; F198-P289 VanDerWaalsContact CE2-CG 3.42Å; F198-P289 HydrophobicContact CG-CG 4.05Å; F198-P289 HydrophobicContact CZ-CG 3.94Å |
| 199 | S | 76.8 | Confident | 70 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 42% | 0.42 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 179.6 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | I195 I196 S202 V203 | I195-S199 WeakPolarHBondContact O-CB 3.44Å; I195-S199 PolarHBondContact O-N 3.4Å; I195-S199 PolarHBondContact O-OG 2.95Å; I196-S199 PolarHBondContact O-N 3.27Å; S199-S202 WeakPolarHBondContact O-CB 3.29Å; S199-S202 PolarHBondContact O-N 2.71Å; S199-V203 WeakPolarHBondContact O-CG2 3.49Å; S199-V203 PolarHBondContact O-N 3.05Å |
| 200 | I | 77.6 | Confident | 71.6 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 19% | 0.185 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -43 | 177.9 | -67.4 | 174.7 | 0 | 0 | 0 | 111.1 | C93 I96 L100 I196 G197 S202 V203 S204 | C93-I200 HydrophobicContact CB-CG2 3.66Å; C93-I200 WeakPolarHBondContact O-CG2 3.39Å; I96-I200 HydrophobicContact CG2-CD1 3.83Å; L100-I200 HydrophobicContact CD2-CD1 4.29Å; I196-I200 HydrophobicContact CG2-CD1 3.51Å; I196-I200 HydrophobicContact CG2-CG1 4.16Å; I196-I200 WeakPolarHBondContact O-CB 3.37Å; I196-I200 VanDerWaalsContact O-CG1 3.23Å; I196-I200 WeakPolarHBondContact O-CG1 3.43Å; I196-I200 PolarHBondContact O-N 3.38Å; G197-I200 PolarHBondContact O-N 3.3Å; I200-S202 VanDerWaalsContact C-N 3.27Å; I200-S202 PolarHBondContact O-N 3.15Å; I200-V203 PolarHBondContact O-N 2.95Å; I200-S204 PolarHBondContact O-N 3.45Å |
| 201 | G | 76.3 | Confident | 72.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -35.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | G197 F198 S204 S205 | G197-G201 PolarHBondContact O-N 2.98Å; F198-G201 PolarHBondContact O-N 3.24Å; G201-S204 PolarHBondContact O-N 3.27Å; G201-S205 WeakPolarHBondContact O-CB 3.39Å; G201-S205 PolarHBondContact O-N 3.42Å; G201-S205 PolarHBondContact O-OG 3.39Å |
| 202 | S | 78.4 | Confident | 73 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 174.5 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | F198 S199 I200 S205 V206 | F198-S202 WeakPolarHBondContact O-CB 3.42Å; F198-S202 PolarHBondContact O-N 2.91Å; F198-S202 PolarHBondContact O-OG 2.92Å; S199-S202 WeakPolarHBondContact O-CB 3.29Å; S199-S202 PolarHBondContact O-N 2.71Å; I200-S202 VanDerWaalsContact C-N 3.27Å; I200-S202 PolarHBondContact O-N 3.15Å; S202-S205 PolarHBondContact O-N 3.18Å; S202-V206 WeakPolarHBondContact O-CG2 3.36Å; S202-V206 PolarHBondContact O-N 2.76Å |
| 203 | V | 80.3 | Confident | 73.1 | Confident | 79 Ų | 79 | 52 Ų | 52 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 174.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | S199 I200 S205 V206 L207 | S199-V203 WeakPolarHBondContact O-CG2 3.49Å; S199-V203 PolarHBondContact O-N 3.05Å; I200-V203 PolarHBondContact O-N 2.95Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-S205 PolarHBondContact O-N 2.96Å; V203-V206 PolarHBondContact O-N 3.43Å; V203-L207 HydrophobicContact CG1-CD1 4.1Å; V203-L207 HydrophobicContact CG1-CG 4.4Å; V203-L207 WeakPolarHBondContact O-CG 3.27Å; V203-L207 PolarHBondContact O-N 3.03Å |
| 204 | S | 80.4 | Confident | 73 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.5 | -47.2 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | G90 N94 I200 G201 V206 L207 Y208 | G90-S204 WeakPolarHBondContact CA-OG 3.35Å; G90-S204 PolarHBondContact O-OG 3.03Å; N94-S204 VanDerWaalsContact CG-OG 3.31Å; N94-S204 PolarHBondContact ND2-OG 3.36Å; N94-S204 WeakPolarHBondContact OD1-CB 3.2Å; N94-S204 PolarHBondContact OD1-OG 3.4Å; I200-S204 PolarHBondContact O-N 3.45Å; G201-S204 PolarHBondContact O-N 3.27Å; S204-V206 VanDerWaalsContact C-N 3.31Å; S204-V206 PolarHBondContact O-N 3.19Å; S204-L207 WeakPolarHBondContact O-CB 3.38Å; S204-L207 PolarHBondContact O-N 3.39Å; S204-L207 VanDerWaalsContact O-N 3.1Å; S204-Y208 WeakPolarHBondContact O-CD2 3.35Å; S204-Y208 PolarHBondContact O-N 3.46Å; S204-Y208 WeakPolarHBondContact OG-CD2 3.45Å; S204-Y208 VanDerWaalsContact OG-CE2 3.26Å; S204-Y208 WeakPolarHBondContact OG-CE2 3.42Å |
| 205 | S | 78.5 | Confident | 72.6 | Confident | 8 Ų | 8 | 50 Ų | 50 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | G201 S202 V203 Y208 L209 P289 | G201-S205 WeakPolarHBondContact O-CB 3.39Å; G201-S205 PolarHBondContact O-N 3.42Å; G201-S205 PolarHBondContact O-OG 3.39Å; S202-S205 PolarHBondContact O-N 3.18Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-S205 PolarHBondContact O-N 2.96Å; S205-Y208 PolarHBondContact O-N 3.37Å; S205-L209 WeakPolarHBondContact O-CG 3.47Å; S205-L209 PolarHBondContact O-N 3.25Å; S205-P289 PolarHBondContact OG-O 3.45Å |
| 206 | V | 79.1 | Confident | 72.2 | Confident | 88 Ų | 88 | 48.1 Ų | 48.1 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 174.2 | 173 | 0 | 0 | 0 | 0 | 111.1 | S202 V203 S204 Y208 L209 C210 | S202-V206 WeakPolarHBondContact O-CG2 3.36Å; S202-V206 PolarHBondContact O-N 2.76Å; V203-V206 PolarHBondContact O-N 3.43Å; S204-V206 VanDerWaalsContact C-N 3.31Å; S204-V206 PolarHBondContact O-N 3.19Å; V206-Y208 VanDerWaalsContact C-N 3.3Å; V206-Y208 PolarHBondContact O-N 3.01Å; V206-L209 PolarHBondContact O-N 3.49Å; V206-C210 VanDerWaalsContact O-CB 3.24Å; V206-C210 WeakPolarHBondContact O-CB 3.44Å; V206-C210 PolarHBondContact O-N 3.4Å; V206-C210 PolarHBondContact O-SG 3.49Å |
| 207 | L | 76.2 | Confident | 71.6 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.5 | -66.7 | 173.2 | 0 | 0 | 0 | 111.4 | L86 V203 S204 C210 S211 | L86-L207 HydrophobicContact CD2-CD2 3.52Å; V203-L207 HydrophobicContact CG1-CD1 4.1Å; V203-L207 HydrophobicContact CG1-CG 4.4Å; V203-L207 WeakPolarHBondContact O-CG 3.27Å; V203-L207 PolarHBondContact O-N 3.03Å; S204-L207 WeakPolarHBondContact O-CB 3.38Å; S204-L207 PolarHBondContact O-N 3.39Å; S204-L207 VanDerWaalsContact O-N 3.1Å; L207-C210 PolarHBondContact O-N 2.88Å; L207-S211 PolarHBondContact O-N 3.43Å |
| 208 | Y | 76.3 | Confident | 71 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 175.3 | -85.4 | -58 | 0 | 0 | 0 | 113 | W87 D91 N94 S204 S205 V206 S211 | W87-Y208 AromaticContact CD1-CE1 3.45Å; W87-Y208 VanDerWaalsContact CD1-CE1 3.45Å; W87-Y208 AromaticContact CD1-CZ 4Å; W87-Y208 HydrophobicContact CG-CE1 4.39Å; W87-Y208 AromaticContact NE1-CE1 3.71Å; D91-Y208 PolarHBondContact OD1-OH 2.91Å; D91-Y208 PolarHBondContact OD2-OH 3.32Å; N94-Y208 WeakPolarHBondContact ND2-CE2 3.28Å; S204-Y208 WeakPolarHBondContact O-CD2 3.35Å; S204-Y208 PolarHBondContact O-N 3.46Å; S204-Y208 WeakPolarHBondContact OG-CD2 3.45Å; S204-Y208 VanDerWaalsContact OG-CE2 3.26Å; S204-Y208 WeakPolarHBondContact OG-CE2 3.42Å; S205-Y208 PolarHBondContact O-N 3.37Å; V206-Y208 VanDerWaalsContact C-N 3.3Å; V206-Y208 PolarHBondContact O-N 3.01Å; Y208-S211 WeakPolarHBondContact O-CB 3.34Å; Y208-S211 PolarHBondContact O-N 3.36Å; Y208-S211 PolarHBondContact O-OG 3.18Å |
| 209 | L | 75.8 | Confident | 70.1 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 177.2 | -68.6 | 171.6 | 0 | 0 | 0 | 111.3 | S205 V206 S211 R212 L213 T297 L300 | S205-L209 WeakPolarHBondContact O-CG 3.47Å; S205-L209 PolarHBondContact O-N 3.25Å; V206-L209 PolarHBondContact O-N 3.49Å; L209-S211 VanDerWaalsContact C-N 3.27Å; L209-S211 PolarHBondContact O-N 3.04Å; L209-R212 PolarHBondContact O-N 3.39Å; L209-R212 VanDerWaalsContact O-N 3.09Å; L209-L213 PolarHBondContact O-N 3.49Å; L209-T297 HydrophobicContact CD2-CG2 4.2Å; L209-L300 HydrophobicContact CD2-CD1 3.86Å |
| 210 | C | 76.1 | Confident | 68.7 | Low | 49 Ų | 49 | 50 Ų | 50 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 177.2 | -75 | 0 | 0 | 0 | 0 | 112.7 | V206 L207 R212 L213 P214 | V206-C210 VanDerWaalsContact O-CB 3.24Å; V206-C210 WeakPolarHBondContact O-CB 3.44Å; V206-C210 PolarHBondContact O-N 3.4Å; V206-C210 PolarHBondContact O-SG 3.49Å; L207-C210 PolarHBondContact O-N 2.88Å; C210-R212 PolarHBondContact O-N 3.36Å; C210-L213 PolarHBondContact O-N 3.06Å; C210-P214 VanDerWaalsContact O-CD 3.23Å; C210-P214 WeakPolarHBondContact O-CD 3.31Å |
| 211 | S | 72.5 | Confident | 67.3 | Low | 5 Ų | 5 | 53.2 Ų | 53.2 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -27.7 | 176.2 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | F83 L207 Y208 L209 P214 | F83-S211 WeakPolarHBondContact CD2-O 3.05Å; L207-S211 PolarHBondContact O-N 3.43Å; Y208-S211 WeakPolarHBondContact O-CB 3.34Å; Y208-S211 PolarHBondContact O-N 3.36Å; Y208-S211 PolarHBondContact O-OG 3.18Å; L209-S211 VanDerWaalsContact C-N 3.27Å; L209-S211 PolarHBondContact O-N 3.04Å; S211-P214 WeakPolarHBondContact O-CD 3.33Å |
| 212 | R | 68.1 | Low | 66.1 | Low | 51 Ų | 51 | 54 Ų | 54 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -89 | -18.5 | -178 | -62.5 | -68 | 177.1 | 152.1 | -3.9 | 113.5 | L209 C210 Q215 M216 L300 D301 | L209-R212 PolarHBondContact O-N 3.39Å; L209-R212 VanDerWaalsContact O-N 3.09Å; C210-R212 PolarHBondContact O-N 3.36Å; R212-Q215 PolarHBondContact O-N 2.96Å; R212-M216 PolarHBondContact O-N 3.43Å; R212-L300 HydrophobicContact CB-CD1 3.98Å; R212-D301 IonicContact CZ-OD1 3.73Å; R212-D301 IonicContact NH1-OD1 3.04Å; R212-D301 PolarHBondContact NH1-OD1 3.5Å |
| 213 | L | 65.6 | Low | 64.5 | Low | 80 Ų | 80 | 55.3 Ų | 55.3 | 42% | 0.419 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | -178.2 | -63.3 | -179 | 0 | 0 | 0 | 114.6 | L209 C210 Q215 M216 H217 | L209-L213 PolarHBondContact O-N 3.49Å; C210-L213 PolarHBondContact O-N 3.06Å; L213-Q215 VanDerWaalsContact C-N 3.27Å; L213-Q215 PolarHBondContact O-N 3.44Å; L213-M216 HydrophobicContact CD2-CE 3.41Å; L213-M216 VanDerWaalsContact CD2-CE 3.41Å; L213-M216 PolarHBondContact O-N 2.79Å; L213-H217 WeakPolarHBondContact O-CB 3.25Å; L213-H217 PolarHBondContact O-N 3.1Å |
| 214 | P | 58.3 | Low | 63.1 | Low | 75 Ų | 75 | 59.4 Ų | 59.4 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 178.1 | -26.4 | 34.9 | 0 | 0 | 0 | 113.4 | C210 S211 T218 | C210-P214 VanDerWaalsContact O-CD 3.23Å; C210-P214 WeakPolarHBondContact O-CD 3.31Å; S211-P214 WeakPolarHBondContact O-CD 3.33Å; P214-T218 WeakPolarHBondContact O-CB 3.39Å; P214-T218 PolarHBondContact O-N 2.95Å; P214-T218 PolarHBondContact O-OG1 3.33Å |
| 215 | Q | 54 | Low | 61.6 | Low | 102 Ų | 102 | 62.4 Ų | 62.4 | 48% | 0.477 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.4 | -44.8 | 175.4 | -91.9 | 176.8 | -18.4 | 0 | 0 | 111.8 | R212 L213 T218 N219 | R212-Q215 PolarHBondContact O-N 2.96Å; L213-Q215 VanDerWaalsContact C-N 3.27Å; L213-Q215 PolarHBondContact O-N 3.44Å; Q215-T218 PolarHBondContact O-N 3.36Å; Q215-N219 WeakPolarHBondContact O-CB 3.41Å; Q215-N219 VanDerWaalsContact O-CG 3.27Å; Q215-N219 PolarHBondContact O-N 3.49Å; Q215-N219 PolarHBondContact O-ND2 3.34Å |
| 216 | M | 59.6 | Low | 60.4 | Low | 46 Ų | 46 | 66.1 Ų | 66.1 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 177.6 | -177.6 | 174 | 58.2 | 0 | 0 | 112 | R212 L213 T218 N219 S220 L300 | R212-M216 PolarHBondContact O-N 3.43Å; L213-M216 HydrophobicContact CD2-CE 3.41Å; L213-M216 VanDerWaalsContact CD2-CE 3.41Å; L213-M216 PolarHBondContact O-N 2.79Å; M216-T218 VanDerWaalsContact C-N 3.34Å; M216-T218 PolarHBondContact O-N 3.46Å; M216-N219 PolarHBondContact O-N 3.19Å; M216-S220 WeakPolarHBondContact O-CB 3.44Å; M216-S220 PolarHBondContact O-N 2.96Å; M216-S220 PolarHBondContact O-OG 3.1Å; M216-L300 HydrophobicContact CE-CD2 3.95Å; M216-L300 HydrophobicContact SD-CD2 3.81Å |
| 217 | H | 55.5 | Low | 59.2 | Low | 120 Ų | 120 | 67.1 Ų | 67.1 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 178.5 | -174.2 | 74.5 | 0 | 0 | 0 | 111.3 | L213 N219 S220 M221 | L213-H217 WeakPolarHBondContact O-CB 3.25Å; L213-H217 PolarHBondContact O-N 3.1Å; H217-N219 PolarHBondContact O-N 2.84Å; H217-S220 PolarHBondContact O-N 3Å; H217-M221 WeakPolarHBondContact O-CB 3.36Å; H217-M221 PolarHBondContact O-N 2.85Å |
| 218 | T | 55.1 | Low | 58.2 | Low | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.472 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | P214 Q215 M216 L222 | P214-T218 WeakPolarHBondContact O-CB 3.39Å; P214-T218 PolarHBondContact O-N 2.95Å; P214-T218 PolarHBondContact O-OG1 3.33Å; Q215-T218 PolarHBondContact O-N 3.36Å; M216-T218 VanDerWaalsContact C-N 3.34Å; M216-T218 PolarHBondContact O-N 3.46Å; T218-L222 WeakPolarHBondContact O-CB 3.43Å; T218-L222 PolarHBondContact O-N 3.06Å; T218-L222 VanDerWaalsContact O-N 3.13Å |
| 219 | N | 52 | Low | 56.8 | Low | 28 Ų | 28 | 71.4 Ų | 71.4 | 15% | 0.15 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74.1 | -34.2 | 179 | -70.8 | -17.5 | 0 | 0 | 0 | 113.3 | Q215 M216 H217 L222 L223 Q307 Y311 | Q215-N219 WeakPolarHBondContact O-CB 3.41Å; Q215-N219 VanDerWaalsContact O-CG 3.27Å; Q215-N219 PolarHBondContact O-N 3.49Å; Q215-N219 PolarHBondContact O-ND2 3.34Å; M216-N219 PolarHBondContact O-N 3.19Å; H217-N219 PolarHBondContact O-N 2.84Å; N219-L222 WeakPolarHBondContact O-CB 3.4Å; N219-L222 PolarHBondContact O-N 2.9Å; N219-L223 WeakPolarHBondContact O-CB 3.4Å; N219-L223 PolarHBondContact O-N 2.93Å; N219-Q307 VanDerWaalsContact CB-OE1 3.29Å; N219-Y311 PolarHBondContact O-OH 2.9Å |
| 220 | S | 46.8 | Very low | 55.4 | Low | 37 Ų | 37 | 76.9 Ų | 76.9 | 26% | 0.259 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -77.6 | -34.3 | 177.1 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | M216 H217 L222 L223 R224 | M216-S220 WeakPolarHBondContact O-CB 3.44Å; M216-S220 PolarHBondContact O-N 2.96Å; M216-S220 PolarHBondContact O-OG 3.1Å; H217-S220 PolarHBondContact O-N 3Å; S220-L222 VanDerWaalsContact C-N 3.31Å; S220-L223 PolarHBondContact O-N 2.63Å; S220-R224 WeakPolarHBondContact O-CB 3.49Å; S220-R224 WeakPolarHBondContact O-CG 3.26Å; S220-R224 PolarHBondContact O-N 2.98Å |
| 221 | M | 48.7 | Very low | 53.9 | Low | 104 Ų | 104 | 84.5 Ų | 84.5 | 51% | 0.512 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 167.4 | 178.4 | -163 | -83.6 | 0 | 0 | 109.2 | H217 L223 R224 T225 | H217-M221 WeakPolarHBondContact O-CB 3.36Å; H217-M221 PolarHBondContact O-N 2.85Å; M221-L223 PolarHBondContact O-N 3.27Å; M221-R224 PolarHBondContact O-N 3.14Å; M221-T225 PolarHBondContact O-N 2.77Å; M221-T225 PolarHBondContact O-OG1 3.04Å |
| 222 | L | 50.7 | Low | 52.8 | Low | 16 Ų | 16 | 89.2 Ų | 89.2 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 175.2 | -167.5 | 86.5 | 0 | 0 | 0 | 112.2 | T218 N219 S220 T225 I226 Y240 Y311 | T218-L222 WeakPolarHBondContact O-CB 3.43Å; T218-L222 PolarHBondContact O-N 3.06Å; T218-L222 VanDerWaalsContact O-N 3.13Å; N219-L222 WeakPolarHBondContact O-CB 3.4Å; N219-L222 PolarHBondContact O-N 2.9Å; S220-L222 VanDerWaalsContact C-N 3.31Å; L222-T225 CarbonylContact O-C 3.55Å; L222-T225 PolarHBondContact O-N 3.02Å; L222-I226 HydrophobicContact CD2-CD1 4.11Å; L222-I226 HydrophobicContact CG-CD1 3.95Å; L222-I226 VanDerWaalsContact O-CG1 3.3Å; L222-I226 WeakPolarHBondContact O-CG1 3.23Å; L222-I226 PolarHBondContact O-N 3.21Å; L222-Y240 HydrophobicContact CD1-CD1 4.02Å; L222-Y240 HydrophobicContact CD1-CD2 3.78Å; L222-Y240 HydrophobicContact CD1-CE1 3.84Å; L222-Y240 HydrophobicContact CD1-CE2 3.62Å; L222-Y240 HydrophobicContact CD1-CG 3.97Å; L222-Y240 HydrophobicContact CD2-CD1 4.29Å; L222-Y240 HydrophobicContact CD2-CE1 3.48Å; L222-Y240 VanDerWaalsContact CD2-CE1 3.48Å; L222-Y240 HydrophobicContact CD2-CE2 4.38Å; L222-Y240 WeakPolarHBondContact CD2-OH 3.14Å; L222-Y240 HydrophobicContact CG-CE1 4.3Å; L222-Y311 HydrophobicContact CD2-CE1 4.06Å |
| 223 | L | 45.3 | Very low | 52.2 | Low | 65 Ų | 65 | 89.8 Ų | 89.8 | 34% | 0.34 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.6 | -161.2 | 96.2 | 0 | 0 | 0 | 110.9 | N219 S220 M221 I226 V227 Y311 | N219-L223 WeakPolarHBondContact O-CB 3.4Å; N219-L223 PolarHBondContact O-N 2.93Å; S220-L223 PolarHBondContact O-N 2.63Å; M221-L223 PolarHBondContact O-N 3.27Å; L223-I226 PolarHBondContact O-N 3.2Å; L223-I226 VanDerWaalsContact O-N 3.15Å; L223-V227 HydrophobicContact CG-CG2 4.46Å; L223-V227 WeakPolarHBondContact O-CB 3.47Å; L223-V227 VanDerWaalsContact O-CG2 3.29Å; L223-V227 WeakPolarHBondContact O-CG2 3.25Å; L223-V227 PolarHBondContact O-N 2.99Å; L223-Y311 VanDerWaalsContact CA-OH 3.28Å; L223-Y311 WeakPolarHBondContact CA-OH 3.33Å; L223-Y311 VanDerWaalsContact CB-OH 3.31Å; L223-Y311 WeakPolarHBondContact CB-OH 3.28Å; L223-Y311 HydrophobicContact CD1-CE1 4.36Å; L223-Y311 HydrophobicContact CD1-CE2 4.3Å; L223-Y311 WeakPolarHBondContact CD1-OH 3.45Å; L223-Y311 PolarHBondContact N-OH 3.44Å |
| 224 | R | 49.9 | Very low | 51.5 | Low | 166 Ų | 166 | 90.7 Ų | 90.7 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 173 | -75.9 | -174.7 | -169.3 | -122.8 | 5.7 | 111.5 | S220 M221 I226 V227 E228 | S220-R224 WeakPolarHBondContact O-CB 3.49Å; S220-R224 WeakPolarHBondContact O-CG 3.26Å; S220-R224 PolarHBondContact O-N 2.98Å; M221-R224 PolarHBondContact O-N 3.14Å; R224-I226 VanDerWaalsContact C-N 3.26Å; R224-I226 PolarHBondContact O-N 3.41Å; R224-V227 PolarHBondContact O-N 3.03Å; R224-E228 WeakPolarHBondContact O-CA 3.48Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.33Å |
| 225 | T | 50.4 | Low | 51 | Low | 62 Ų | 62 | 94.1 Ų | 94.1 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -28.9 | 174.1 | -51.7 | 0 | 0 | 0 | 0 | 112.6 | M221 L222 G229 | M221-T225 PolarHBondContact O-N 2.77Å; M221-T225 PolarHBondContact O-OG1 3.04Å; L222-T225 CarbonylContact O-C 3.55Å; L222-T225 PolarHBondContact O-N 3.02Å; T225-G229 WeakPolarHBondContact O-CA 3.3Å; T225-G229 PolarHBondContact O-N 3.47Å |
| 226 | I | 53.4 | Low | 50.9 | Low | 86 Ų | 86 | 94.9 Ų | 94.9 | 44% | 0.441 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -81.5 | -38.3 | 177.2 | -71.4 | 164.2 | 0 | 0 | 0 | 111.7 | L222 L223 R224 Y311 | L222-I226 HydrophobicContact CD2-CD1 4.11Å; L222-I226 HydrophobicContact CG-CD1 3.95Å; L222-I226 VanDerWaalsContact O-CG1 3.3Å; L222-I226 WeakPolarHBondContact O-CG1 3.23Å; L222-I226 PolarHBondContact O-N 3.21Å; L223-I226 PolarHBondContact O-N 3.2Å; L223-I226 VanDerWaalsContact O-N 3.15Å; R224-I226 VanDerWaalsContact C-N 3.26Å; R224-I226 PolarHBondContact O-N 3.41Å; I226-Y311 HydrophobicContact CD1-CD1 4.37Å; I226-Y311 HydrophobicContact CD1-CE1 3.55Å |
| 227 | V | 53.4 | Low | 50.3 | Low | 110 Ų | 110 | 96.6 Ų | 96.6 | 67% | 0.667 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -78.5 | -38.8 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | L223 R224 | L223-V227 HydrophobicContact CG-CG2 4.46Å; L223-V227 WeakPolarHBondContact O-CB 3.47Å; L223-V227 VanDerWaalsContact O-CG2 3.29Å; L223-V227 WeakPolarHBondContact O-CG2 3.25Å; L223-V227 PolarHBondContact O-N 2.99Å; R224-V227 PolarHBondContact O-N 3.03Å |
| 228 | E | 54.3 | Low | 49.7 | Very low | 148 Ų | 148 | 98.9 Ų | 98.9 | 69% | 0.692 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -95 | -19.1 | 179.5 | -60.8 | 175.5 | 174.3 | 0 | 0 | 112.7 | R224 | R224-E228 WeakPolarHBondContact O-CA 3.48Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.33Å |
| 229 | G | 47 | Very low | 49.3 | Very low | 26 Ų | 26 | 100.1 Ų | 100.1 | 27% | 0.268 | 50% | 0.501 | S | S | . | . | trans | -104 | 44 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T225 K231 | T225-G229 WeakPolarHBondContact O-CA 3.3Å; T225-G229 PolarHBondContact O-N 3.47Å; G229-K231 PolarHBondContact O-N 3.09Å | ||
| 230 | Q | 47 | Very low | 49.1 | Very low | 161 Ų | 161 | 101.3 Ų | 101.3 | 75% | 0.752 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 15.6 | 168 | -85.3 | -68.6 | -61.7 | 0 | 0 | 114.6 | ||
| 231 | K | 44.6 | Very low | 49.1 | Very low | 209 Ų | 209 | 104.3 Ų | 104.3 | 91% | 0.909 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | 2 | -176.6 | -131.1 | 175.2 | -176.4 | 178.4 | 0 | 117.8 | G229 | G229-K231 PolarHBondContact O-N 3.09Š|
| 232 | S | 48.5 | Very low | 48.8 | Very low | 105 Ų | 105 | 106.2 Ų | 106.2 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -152.3 | 56.9 | 171.8 | -156.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 233 | S | 57.1 | Low | 48.3 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 44% | 0.441 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.7 | -5.1 | -155.5 | -161.3 | 0 | 0 | 0 | 0 | 116.7 | K237 | S233-K237 VanDerWaalsContact O-CB 3.27Å; S233-K237 WeakPolarHBondContact O-CB 3.36Å |
| 234 | L | 50.2 | Low | 48.1 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.4 | -50.1 | -173.6 | -114.8 | 80.2 | 0 | 0 | 0 | 115.1 | F236 K237 Y238 V319 | L234-F236 PolarHBondContact O-N 3Å; L234-K237 PolarHBondContact O-N 3.32Å; L234-Y238 WeakPolarHBondContact O-CB 3.04Å; L234-Y238 PolarHBondContact O-N 3.28Å; L234-V319 HydrophobicContact CD1-CB 4.49Å; L234-V319 HydrophobicContact CD1-CG2 3.87Å; L234-V319 HydrophobicContact CD2-CB 4.29Å |
| 235 | Q | 47.5 | Very low | 47.3 | Very low | 147 Ų | 147 | 114.8 Ų | 114.8 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -40.4 | -175.5 | -75.4 | -70 | -8.3 | 0 | 0 | 112.4 | Y238 I239 | Q235-Y238 PolarHBondContact O-N 3.23Å; Q235-I239 WeakPolarHBondContact O-CB 3.25Å; Q235-I239 VanDerWaalsContact O-CG1 3.29Å; Q235-I239 WeakPolarHBondContact O-CG1 3.43Å; Q235-I239 PolarHBondContact O-N 3.11Å |
| 236 | F | 51.4 | Low | 46.7 | Very low | 118 Ų | 118 | 117 Ų | 117 | 52% | 0.518 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.7 | -37.9 | 179.2 | -153.3 | -96.9 | 0 | 0 | 0 | 112.2 | L234 Y238 I239 Y240 | L234-F236 PolarHBondContact O-N 3Å; F236-Y238 VanDerWaalsContact C-N 3.35Å; F236-I239 PolarHBondContact O-N 3.36Å; F236-Y240 WeakPolarHBondContact O-CB 3.45Å; F236-Y240 PolarHBondContact O-N 3.17Å |
| 237 | K | 47.7 | Very low | 46.1 | Very low | 82 Ų | 82 | 117.4 Ų | 117.4 | 36% | 0.357 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.5 | -39.8 | 174.4 | -172.3 | 172.3 | 179.5 | 177.5 | 0 | 111.2 | S233 L234 L241 | S233-K237 VanDerWaalsContact O-CB 3.27Å; S233-K237 WeakPolarHBondContact O-CB 3.36Å; L234-K237 PolarHBondContact O-N 3.32Å; K237-L241 HydrophobicContact CG-CD1 3.93Å; K237-L241 WeakPolarHBondContact O-CB 3.2Å; K237-L241 WeakPolarHBondContact O-CD1 3.49Å; K237-L241 PolarHBondContact O-N 3.31Å |
| 238 | Y | 42.2 | Very low | 45.5 | Very low | 169 Ų | 169 | 121.5 Ų | 121.5 | 66% | 0.663 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.6 | -47.4 | 175.5 | -122.5 | -95.8 | 0 | 0 | 0 | 112.4 | L234 Q235 F236 Y240 L241 F242 | L234-Y238 WeakPolarHBondContact O-CB 3.04Å; L234-Y238 PolarHBondContact O-N 3.28Å; Q235-Y238 PolarHBondContact O-N 3.23Å; F236-Y238 VanDerWaalsContact C-N 3.35Å; Y238-Y240 VanDerWaalsContact C-N 3.27Å; Y238-Y240 PolarHBondContact O-N 3.28Å; Y238-L241 PolarHBondContact O-N 2.9Å; Y238-F242 VanDerWaalsContact O-CB 3.24Å; Y238-F242 WeakPolarHBondContact O-CB 3.26Å; Y238-F242 PolarHBondContact O-N 3.49Å |
| 239 | I | 48.3 | Very low | 45.1 | Very low | 103 Ų | 103 | 117 Ų | 117 | 53% | 0.528 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.4 | -38.9 | 176.3 | -71.8 | 164.7 | 0 | 0 | 0 | 111.1 | Q235 F236 F242 K243 | Q235-I239 WeakPolarHBondContact O-CB 3.25Å; Q235-I239 VanDerWaalsContact O-CG1 3.29Å; Q235-I239 WeakPolarHBondContact O-CG1 3.43Å; Q235-I239 PolarHBondContact O-N 3.11Å; F236-I239 PolarHBondContact O-N 3.36Å; I239-F242 PolarHBondContact O-N 3.38Å; I239-K243 PolarHBondContact O-N 2.85Å |
| 240 | Y | 47 | Very low | 45.3 | Very low | 53 Ų | 53 | 121.3 Ų | 121.3 | 21% | 0.208 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -70 | -44.3 | 177.5 | -168.2 | -103.7 | 0 | 0 | 0 | 112.9 | L222 F236 Y238 F242 K243 R244 | L222-Y240 HydrophobicContact CD1-CD1 4.02Å; L222-Y240 HydrophobicContact CD1-CD2 3.78Å; L222-Y240 HydrophobicContact CD1-CE1 3.84Å; L222-Y240 HydrophobicContact CD1-CE2 3.62Å; L222-Y240 HydrophobicContact CD1-CG 3.97Å; L222-Y240 HydrophobicContact CD2-CD1 4.29Å; L222-Y240 HydrophobicContact CD2-CE1 3.48Å; L222-Y240 VanDerWaalsContact CD2-CE1 3.48Å; L222-Y240 HydrophobicContact CD2-CE2 4.38Å; L222-Y240 WeakPolarHBondContact CD2-OH 3.14Å; L222-Y240 HydrophobicContact CG-CE1 4.3Å; F236-Y240 WeakPolarHBondContact O-CB 3.45Å; F236-Y240 PolarHBondContact O-N 3.17Å; Y238-Y240 VanDerWaalsContact C-N 3.27Å; Y238-Y240 PolarHBondContact O-N 3.28Å; Y240-F242 VanDerWaalsContact C-N 3.32Å; Y240-F242 PolarHBondContact O-N 3.22Å; Y240-K243 PolarHBondContact O-N 2.64Å; Y240-R244 HydrophobicContact CE1-CG 4.33Å; Y240-R244 VanDerWaalsContact CZ-NE 3.35Å; Y240-R244 WeakPolarHBondContact O-CB 3.33Å; Y240-R244 WeakPolarHBondContact O-CG 3.24Å; Y240-R244 PolarHBondContact O-N 2.65Å; Y240-R244 PolarHBondContact OH-NE 3.13Å; Y240-R244 PolarHBondContact OH-NH2 2.97Å |
| 241 | L | 46.1 | Very low | 46 | Very low | 99 Ų | 99 | 117.3 Ų | 117.3 | 52% | 0.518 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.5 | -36.8 | 172.3 | -105.1 | 120.1 | 0 | 0 | 0 | 112 | K237 Y238 R244 K245 | K237-L241 HydrophobicContact CG-CD1 3.93Å; K237-L241 WeakPolarHBondContact O-CB 3.2Å; K237-L241 WeakPolarHBondContact O-CD1 3.49Å; K237-L241 PolarHBondContact O-N 3.31Å; Y238-L241 PolarHBondContact O-N 2.9Å; L241-R244 CarbonylContact O-C 3.31Å; L241-R244 VanDerWaalsContact O-C 3.31Å; L241-R244 WeakPolarHBondContact O-CA 3.46Å; L241-R244 PolarHBondContact O-N 3.24Å; L241-R244 VanDerWaalsContact O-N 3.11Å; L241-K245 PolarHBondContact O-N 3.34Å |
| 242 | F | 42.5 | Very low | 47.2 | Very low | 145 Ų | 145 | 112 Ų | 112 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.9 | -37.5 | 179.4 | -149.1 | -91.6 | 0 | 0 | 0 | 111.7 | Y238 I239 Y240 R244 K245 | Y238-F242 VanDerWaalsContact O-CB 3.24Å; Y238-F242 WeakPolarHBondContact O-CB 3.26Å; Y238-F242 PolarHBondContact O-N 3.49Å; I239-F242 PolarHBondContact O-N 3.38Å; Y240-F242 VanDerWaalsContact C-N 3.32Å; Y240-F242 PolarHBondContact O-N 3.22Å; F242-R244 VanDerWaalsContact C-N 3.3Å; F242-K245 PolarHBondContact O-N 3.4Å |
| 243 | K | 40.6 | Very low | 48.6 | Very low | 181 Ų | 181 | 112.8 Ų | 112.8 | 79% | 0.787 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.9 | -31 | 166.2 | -99.7 | -158.5 | 176.9 | -173 | 0 | 112.8 | I239 Y240 | I239-K243 PolarHBondContact O-N 2.85Å; Y240-K243 PolarHBondContact O-N 2.64Å |
| 244 | R | 42.1 | Very low | 49.5 | Very low | 82 Ų | 82 | 110.9 Ų | 110.9 | 31% | 0.309 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -86.2 | 1.4 | 177.8 | -80.4 | -166.3 | 172.7 | -179.1 | -2.8 | 115.4 | Y240 L241 F242 S246 T247 | Y240-R244 HydrophobicContact CE1-CG 4.33Å; Y240-R244 VanDerWaalsContact CZ-NE 3.35Å; Y240-R244 WeakPolarHBondContact O-CB 3.33Å; Y240-R244 WeakPolarHBondContact O-CG 3.24Å; Y240-R244 PolarHBondContact O-N 2.65Å; Y240-R244 PolarHBondContact OH-NE 3.13Å; Y240-R244 PolarHBondContact OH-NH2 2.97Å; L241-R244 CarbonylContact O-C 3.31Å; L241-R244 VanDerWaalsContact O-C 3.31Å; L241-R244 WeakPolarHBondContact O-CA 3.46Å; L241-R244 PolarHBondContact O-N 3.24Å; L241-R244 VanDerWaalsContact O-N 3.11Å; F242-R244 VanDerWaalsContact C-N 3.3Å; R244-S246 PolarHBondContact O-N 3Å; R244-T247 HydrophobicContact CG-CG2 4.32Å; R244-T247 PolarHBondContact O-N 3.12Å; R244-T247 PolarHBondContact O-OG1 2.93Å; R244-T247 VanDerWaalsContact O-OG1 3.05Å |
| 245 | K | 32.3 | Very low | 50.8 | Low | 163 Ų | 163 | 108.6 Ų | 108.6 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -9.8 | 162.5 | -92.3 | -163.3 | 174.2 | -173 | 0 | 112.9 | L241 F242 | L241-K245 PolarHBondContact O-N 3.34Å; F242-K245 PolarHBondContact O-N 3.4Å |
| 246 | S | 38.5 | Very low | 52.4 | Low | 108 Ų | 108 | 103.3 Ų | 103.3 | 76% | 0.755 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 22.5 | 172.2 | -157 | 0 | 0 | 0 | 0 | 114.3 | R244 | R244-S246 PolarHBondContact O-N 3Š|
| 247 | T | 39.8 | Very low | 53.9 | Low | 96 Ų | 96 | 98.7 Ų | 98.7 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | trans | -117.9 | 23.6 | 170 | 60.6 | 0 | 0 | 0 | 0 | 113 | R244 G249 | R244-T247 HydrophobicContact CG-CG2 4.32Å; R244-T247 PolarHBondContact O-N 3.12Å; R244-T247 PolarHBondContact O-OG1 2.93Å; R244-T247 VanDerWaalsContact O-OG1 3.05Å; T247-G249 PolarHBondContact O-N 3.44Å | ||
| 248 | E | 41.7 | Very low | 55.6 | Low | 195 Ų | 195 | 95.8 Ų | 95.8 | 91% | 0.911 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -81 | 11.4 | 176.4 | -130.5 | -179.5 | -175.8 | 0 | 0 | 113.5 | ||
| 249 | G | 44.2 | Very low | 57.5 | Low | 55 Ų | 55 | 88.9 Ų | 88.9 | 57% | 0.567 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -136.2 | 5.2 | -162.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | T247 | T247-G249 PolarHBondContact O-N 3.44Š|
| 250 | V | 51.4 | Low | 59.4 | Low | 115 Ų | 115 | 87.7 Ų | 87.7 | 70% | 0.697 | 46% | 0.455 | S | S | * | . | trans | -113.5 | 95.7 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | Y252 L254 | V250-Y252 PolarHBondContact O-N 2.6Å; V250-L254 HydrophobicContact CG1-CB 4.27Å; V250-L254 HydrophobicContact CG1-CD1 3.98Å | ||
| 251 | S | 63.2 | Low | 61.2 | Low | 77 Ų | 77 | 85.2 Ų | 85.2 | 54% | 0.538 | 45% | 0.445 | S | S | . | . | trans | -50.7 | 133 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | F253 L254 | S251-F253 PolarHBondContact O-N 3.22Å; S251-F253 WeakPolarHBondContact OG-CB 3.31Å; S251-F253 PolarHBondContact OG-N 2.96Å; S251-L254 PolarHBondContact O-N 3.17Å | ||
| 252 | Y | 69.5 | Low | 63.1 | Low | 98 Ų | 98 | 81.1 Ų | 81.1 | 38% | 0.384 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -48.6 | -25.1 | 172.6 | 178.8 | -100.6 | 0 | 0 | 0 | 112.2 | V250 L254 F255 A256 F309 | V250-Y252 PolarHBondContact O-N 2.6Å; Y252-L254 VanDerWaalsContact C-N 3.32Å; Y252-L254 PolarHBondContact O-N 2.88Å; Y252-F255 WeakPolarHBondContact O-CB 3.39Å; Y252-F255 PolarHBondContact O-N 2.98Å; Y252-F255 VanDerWaalsContact O-N 3.13Å; Y252-A256 HydrophobicContact CE1-CB 4.37Å; Y252-A256 PolarHBondContact O-N 3.26Å; Y252-F309 HydrophobicContact CD2-CZ 4.49Å; Y252-F309 HydrophobicContact CE1-CZ 4.1Å; Y252-F309 AromaticContact CE2-CE2 3.6Å; Y252-F309 HydrophobicContact CE2-CE2 3.6Å; Y252-F309 AromaticContact CE2-CZ 3.8Å; Y252-F309 HydrophobicContact CE2-CZ 3.8Å; Y252-F309 AromaticContact CZ-CE2 3.57Å; Y252-F309 AromaticContact CZ-CZ 3.58Å; Y252-F309 WeakPolarHBondContact OH-CE2 3.49Å |
| 253 | F | 78.3 | Confident | 65.1 | Low | 122 Ų | 122 | 77.1 Ų | 77.1 | 54% | 0.535 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -49 | -45.2 | 169.7 | -177.7 | -107.2 | 0 | 0 | 0 | 114.3 | S251 F255 A256 L257 | S251-F253 PolarHBondContact O-N 3.22Å; S251-F253 WeakPolarHBondContact OG-CB 3.31Å; S251-F253 PolarHBondContact OG-N 2.96Å; F253-F255 VanDerWaalsContact C-N 3.3Å; F253-F255 PolarHBondContact O-N 3.02Å; F253-A256 PolarHBondContact O-N 3.38Å; F253-L257 HydrophobicContact CD1-CD1 3.97Å; F253-L257 HydrophobicContact CE1-CD1 3.45Å; F253-L257 VanDerWaalsContact CE1-CD1 3.45Å; F253-L257 HydrophobicContact CE1-CG 4.19Å; F253-L257 HydrophobicContact CE2-CG 4.49Å; F253-L257 HydrophobicContact CZ-CD1 3.78Å; F253-L257 HydrophobicContact CZ-CD2 4.33Å; F253-L257 HydrophobicContact CZ-CG 4.16Å; F253-L257 WeakPolarHBondContact O-CG 3.49Å; F253-L257 PolarHBondContact O-N 2.68Å |
| 254 | L | 75.9 | Confident | 67.3 | Low | 23 Ų | 23 | 68.9 Ų | 68.9 | 12% | 0.12 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.9 | -34.6 | -179.6 | -60.7 | 174.6 | 0 | 0 | 0 | 111.7 | P64 V250 S251 Y252 L257 V258 | P64-L254 HydrophobicContact CB-CD1 3.85Å; P64-L254 HydrophobicContact CB-CD2 4.3Å; P64-L254 HydrophobicContact CG-CD1 4.14Å; P64-L254 HydrophobicContact CG-CD2 3.66Å; V250-L254 HydrophobicContact CG1-CB 4.27Å; V250-L254 HydrophobicContact CG1-CD1 3.98Å; S251-L254 PolarHBondContact O-N 3.17Å; Y252-L254 VanDerWaalsContact C-N 3.32Å; Y252-L254 PolarHBondContact O-N 2.88Å; L254-L257 HydrophobicContact CD2-CD1 4.43Å; L254-L257 PolarHBondContact O-N 2.88Å; L254-V258 WeakPolarHBondContact O-CG2 3.35Å; L254-V258 PolarHBondContact O-N 3.5Å |
| 255 | F | 75.9 | Confident | 69.4 | Low | 49 Ų | 49 | 68.1 Ų | 68.1 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 174 | -160.8 | -84.6 | 0 | 0 | 0 | 111.5 | Y252 F253 L257 V258 I259 D301 I304 S305 | Y252-F255 WeakPolarHBondContact O-CB 3.39Å; Y252-F255 PolarHBondContact O-N 2.98Å; Y252-F255 VanDerWaalsContact O-N 3.13Å; F253-F255 VanDerWaalsContact C-N 3.3Å; F253-F255 PolarHBondContact O-N 3.02Å; F255-L257 VanDerWaalsContact C-N 3.33Å; F255-L257 PolarHBondContact O-N 2.93Å; F255-V258 PolarHBondContact O-N 2.91Å; F255-I259 HydrophobicContact CD1-CD1 3.66Å; F255-I259 HydrophobicContact CD1-CG1 4.21Å; F255-I259 HydrophobicContact CE1-CD1 3.49Å; F255-I259 VanDerWaalsContact CE1-CD1 3.49Å; F255-I259 HydrophobicContact CE1-CG1 3.94Å; F255-I259 PolarHBondContact O-N 3.31Å; F255-I259 VanDerWaalsContact O-N 3.08Å; F255-D301 HydrophobicContact CE1-CB 4.13Å; F255-D301 WeakPolarHBondContact CE1-O 3.23Å; F255-D301 HydrophobicContact CZ-CB 3.84Å; F255-D301 WeakPolarHBondContact CZ-O 3.38Å; F255-I304 HydrophobicContact CE2-CG2 4.02Å; F255-I304 HydrophobicContact CZ-CB 4.11Å; F255-I304 HydrophobicContact CZ-CG2 3.98Å; F255-S305 WeakPolarHBondContact CD1-OG 3.49Å; F255-S305 WeakPolarHBondContact CE1-OG 3.19Å |
| 256 | A | 81.6 | Confident | 71.8 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y252 F253 I259 L260 | Y252-A256 HydrophobicContact CE1-CB 4.37Å; Y252-A256 PolarHBondContact O-N 3.26Å; F253-A256 PolarHBondContact O-N 3.38Å; A256-I259 PolarHBondContact O-N 2.99Å; A256-L260 VanDerWaalsContact O-CB 3.3Å; A256-L260 WeakPolarHBondContact O-CB 3.44Å; A256-L260 PolarHBondContact O-N 2.85Å |
| 257 | L | 83.3 | Confident | 73.9 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 174.6 | -74.6 | 177.2 | 0 | 0 | 0 | 112.7 | V60 F253 L254 F255 L260 G261 | V60-L257 HydrophobicContact CB-CD1 4.36Å; V60-L257 HydrophobicContact CG1-CD1 3.75Å; F253-L257 HydrophobicContact CD1-CD1 3.97Å; F253-L257 HydrophobicContact CE1-CD1 3.45Å; F253-L257 VanDerWaalsContact CE1-CD1 3.45Å; F253-L257 HydrophobicContact CE1-CG 4.19Å; F253-L257 HydrophobicContact CE2-CG 4.49Å; F253-L257 HydrophobicContact CZ-CD1 3.78Å; F253-L257 HydrophobicContact CZ-CD2 4.33Å; F253-L257 HydrophobicContact CZ-CG 4.16Å; F253-L257 WeakPolarHBondContact O-CG 3.49Å; F253-L257 PolarHBondContact O-N 2.68Å; L254-L257 HydrophobicContact CD2-CD1 4.43Å; L254-L257 PolarHBondContact O-N 2.88Å; F255-L257 VanDerWaalsContact C-N 3.33Å; F255-L257 PolarHBondContact O-N 2.93Å; L257-L260 PolarHBondContact O-N 3.37Å; L257-G261 PolarHBondContact O-N 3.17Å |
| 258 | V | 82.8 | Confident | 75.9 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | F58 L254 F255 L260 G261 N262 | F58-V258 HydrophobicContact CE1-CG1 4.3Å; L254-V258 WeakPolarHBondContact O-CG2 3.35Å; L254-V258 PolarHBondContact O-N 3.5Å; F255-V258 PolarHBondContact O-N 2.91Å; V258-L260 VanDerWaalsContact C-N 3.32Å; V258-L260 PolarHBondContact O-N 3.17Å; V258-G261 PolarHBondContact O-N 3.47Å; V258-N262 PolarHBondContact O-N 2.89Å; V258-N262 PolarHBondContact O-ND2 2.85Å |
| 259 | I | 82.9 | Confident | 77.7 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 172.8 | -71.1 | 168.9 | 0 | 0 | 0 | 110.3 | F255 A256 G261 N262 T263 L298 D301 L302 | F255-I259 HydrophobicContact CD1-CD1 3.66Å; F255-I259 HydrophobicContact CD1-CG1 4.21Å; F255-I259 HydrophobicContact CE1-CD1 3.49Å; F255-I259 VanDerWaalsContact CE1-CD1 3.49Å; F255-I259 HydrophobicContact CE1-CG1 3.94Å; F255-I259 PolarHBondContact O-N 3.31Å; F255-I259 VanDerWaalsContact O-N 3.08Å; A256-I259 PolarHBondContact O-N 2.99Å; I259-G261 VanDerWaalsContact C-N 3.35Å; I259-G261 PolarHBondContact O-N 3.39Å; I259-N262 PolarHBondContact O-N 3.34Å; I259-T263 VanDerWaalsContact O-CB 3.31Å; I259-T263 WeakPolarHBondContact O-CB 3.32Å; I259-T263 PolarHBondContact O-N 3.22Å; I259-T263 PolarHBondContact O-OG1 2.87Å; I259-L298 HydrophobicContact CB-CD1 4.49Å; I259-L298 HydrophobicContact CG2-CD1 3.85Å; I259-D301 HydrophobicContact CG1-CB 4.14Å; I259-L302 HydrophobicContact CD1-CD2 4.12Å; I259-L302 HydrophobicContact CG2-CD2 4.31Å |
| 260 | L | 87.5 | Confident | 79.4 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | -179.9 | -177.3 | 63.4 | 0 | 0 | 0 | 111 | A256 L257 V258 T263 T264 | A256-L260 VanDerWaalsContact O-CB 3.3Å; A256-L260 WeakPolarHBondContact O-CB 3.44Å; A256-L260 PolarHBondContact O-N 2.85Å; L257-L260 PolarHBondContact O-N 3.37Å; V258-L260 VanDerWaalsContact C-N 3.32Å; V258-L260 PolarHBondContact O-N 3.17Å; L260-T263 PolarHBondContact O-N 3.12Å; L260-T264 HydrophobicContact CD1-CG2 4.03Å; L260-T264 HydrophobicContact CG-CG2 4.38Å; L260-T264 WeakPolarHBondContact O-CB 3.24Å; L260-T264 VanDerWaalsContact O-CG2 3.28Å; L260-T264 WeakPolarHBondContact O-CG2 3.45Å; L260-T264 PolarHBondContact O-N 2.85Å; L260-T264 PolarHBondContact O-OG1 3.45Å |
| 261 | G | 85.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -51.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S54 L257 V258 I259 T263 T264 Y265 | S54-G261 WeakPolarHBondContact CB-O 3.39Å; S54-G261 PolarHBondContact OG-O 3.29Å; L257-G261 PolarHBondContact O-N 3.17Å; V258-G261 PolarHBondContact O-N 3.47Å; I259-G261 VanDerWaalsContact C-N 3.35Å; I259-G261 PolarHBondContact O-N 3.39Å; G261-T263 VanDerWaalsContact C-N 3.34Å; G261-T263 PolarHBondContact O-N 3.42Å; G261-T264 PolarHBondContact O-N 3.39Å; G261-T264 PolarHBondContact O-OG1 2.74Å; G261-Y265 WeakPolarHBondContact O-CB 3.27Å; G261-Y265 PolarHBondContact O-N 2.02Å |
| 262 | N | 85.8 | Confident | 81.2 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 176.7 | -78.3 | -47.5 | 0 | 0 | 0 | 112.3 | F58 V258 I259 G266 S294 L298 D301 | F58-N262 WeakPolarHBondContact CZ-OD1 3.05Å; V258-N262 PolarHBondContact O-N 2.89Å; V258-N262 PolarHBondContact O-ND2 2.85Å; I259-N262 PolarHBondContact O-N 3.34Å; N262-G266 PolarHBondContact O-N 2.81Å; N262-S294 PolarHBondContact O-OG 3.4Å; N262-L298 HydrophobicContact CB-CB 4.15Å; N262-L298 HydrophobicContact CB-CD1 4.19Å; N262-D301 PolarHBondContact ND2-OD2 2.87Å |
| 263 | T | 85.1 | Confident | 81.2 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -47 | 179.7 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | I259 L260 G261 G266 L267 L298 | I259-T263 VanDerWaalsContact O-CB 3.31Å; I259-T263 WeakPolarHBondContact O-CB 3.32Å; I259-T263 PolarHBondContact O-N 3.22Å; I259-T263 PolarHBondContact O-OG1 2.87Å; L260-T263 PolarHBondContact O-N 3.12Å; G261-T263 VanDerWaalsContact C-N 3.34Å; G261-T263 PolarHBondContact O-N 3.42Å; T263-G266 PolarHBondContact O-N 3.35Å; T263-L267 WeakPolarHBondContact O-CB 3.42Å; T263-L267 PolarHBondContact O-N 2.83Å; T263-L298 WeakPolarHBondContact OG1-CD1 3.46Å |
| 264 | T | 86.1 | Confident | 80.5 | Confident | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -35.3 | -179.7 | 49 | 0 | 0 | 0 | 0 | 111.9 | L50 L53 S54 L260 G261 L267 S268 | L50-T264 HydrophobicContact CD2-CG2 4.07Å; L53-T264 HydrophobicContact CD2-CG2 3.94Å; L53-T264 HydrophobicContact CG-CG2 4.42Å; S54-T264 WeakPolarHBondContact CA-OG1 3.22Å; S54-T264 VanDerWaalsContact CB-OG1 3.31Å; S54-T264 WeakPolarHBondContact CB-OG1 3.38Å; L260-T264 HydrophobicContact CD1-CG2 4.03Å; L260-T264 HydrophobicContact CG-CG2 4.38Å; L260-T264 WeakPolarHBondContact O-CB 3.24Å; L260-T264 VanDerWaalsContact O-CG2 3.28Å; L260-T264 WeakPolarHBondContact O-CG2 3.45Å; L260-T264 PolarHBondContact O-N 2.85Å; L260-T264 PolarHBondContact O-OG1 3.45Å; G261-T264 PolarHBondContact O-N 3.39Å; G261-T264 PolarHBondContact O-OG1 2.74Å; T264-L267 PolarHBondContact O-N 2.79Å; T264-S268 WeakPolarHBondContact O-CB 3.48Å; T264-S268 PolarHBondContact O-N 3.41Å; T264-S268 PolarHBondContact O-OG 3.23Å |
| 265 | Y | 85.6 | Confident | 79.7 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 26% | 0.255 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.6 | -47.8 | 172.5 | 178.9 | -101.9 | 0 | 0 | 0 | 112.8 | S54 G261 L267 S268 V269 S294 | S54-Y265 WeakPolarHBondContact OG-CB 3.32Å; G261-Y265 WeakPolarHBondContact O-CB 3.27Å; G261-Y265 PolarHBondContact O-N 2.02Å; Y265-L267 PolarHBondContact O-N 3.31Å; Y265-S268 WeakPolarHBondContact CA-OG 3.32Å; Y265-S268 PolarHBondContact O-N 3.1Å; Y265-S268 PolarHBondContact O-OG 3.42Å; Y265-V269 HydrophobicContact CE1-CG2 4.31Å; Y265-V269 HydrophobicContact CE2-CG2 4.33Å; Y265-V269 WeakPolarHBondContact O-CG2 3.47Å; Y265-V269 PolarHBondContact O-N 2.96Å; Y265-V269 VanDerWaalsContact O-N 3.14Å; Y265-S294 WeakPolarHBondContact CD1-OG 3.36Å |
| 266 | G | 82.8 | Confident | 78.4 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N262 T263 L270 | N262-G266 PolarHBondContact O-N 2.81Å; T263-G266 PolarHBondContact O-N 3.35Å; G266-L270 WeakPolarHBondContact O-CG 3.29Å; G266-L270 PolarHBondContact O-N 3.36Å |
| 267 | L | 83.3 | Confident | 77 | Confident | 77 Ų | 77 | 51 Ų | 51 | 40% | 0.403 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.6 | -36.7 | 177.6 | -169.5 | 60.8 | 0 | 0 | 0 | 112.7 | L50 T263 T264 Y265 V269 L270 L271 | L50-L267 HydrophobicContact CD1-CB 4.27Å; L50-L267 HydrophobicContact CD1-CD2 3.72Å; L50-L267 HydrophobicContact CD1-CG 3.78Å; L50-L267 HydrophobicContact CD2-CD2 4.46Å; T263-L267 WeakPolarHBondContact O-CB 3.42Å; T263-L267 PolarHBondContact O-N 2.83Å; T264-L267 PolarHBondContact O-N 2.79Å; Y265-L267 PolarHBondContact O-N 3.31Å; L267-V269 VanDerWaalsContact C-N 3.34Å; L267-V269 PolarHBondContact O-N 2.98Å; L267-L270 PolarHBondContact O-N 3.4Å; L267-L271 HydrophobicContact CD1-CD1 4.02Å; L267-L271 HydrophobicContact CD1-CG 4.07Å; L267-L271 HydrophobicContact CD2-CD1 4.33Å; L267-L271 HydrophobicContact CG-CD1 3.74Å; L267-L271 HydrophobicContact CG-CG 4.21Å; L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 2.97Å; L267-L271 PolarHBondContact O-N 2.87Å |
| 268 | S | 82.3 | Confident | 75.7 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.5 | 61 | 0 | 0 | 0 | 0 | 111.8 | S47 T264 Y265 L271 K272 | S47-S268 WeakPolarHBondContact CB-O 3.18Å; S47-S268 WeakPolarHBondContact O-CB 3.39Å; S47-S268 PolarHBondContact OG-O 3.49Å; T264-S268 WeakPolarHBondContact O-CB 3.48Å; T264-S268 PolarHBondContact O-N 3.41Å; T264-S268 PolarHBondContact O-OG 3.23Å; Y265-S268 WeakPolarHBondContact CA-OG 3.32Å; Y265-S268 PolarHBondContact O-N 3.1Å; Y265-S268 PolarHBondContact O-OG 3.42Å; S268-L271 PolarHBondContact O-N 3.23Å; S268-K272 PolarHBondContact O-N 3.35Å |
| 269 | V | 79.9 | Confident | 74.5 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 178.1 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | Y265 L267 L271 K272 H287 | Y265-V269 HydrophobicContact CE1-CG2 4.31Å; Y265-V269 HydrophobicContact CE2-CG2 4.33Å; Y265-V269 WeakPolarHBondContact O-CG2 3.47Å; Y265-V269 PolarHBondContact O-N 2.96Å; Y265-V269 VanDerWaalsContact O-N 3.14Å; L267-V269 VanDerWaalsContact C-N 3.34Å; L267-V269 PolarHBondContact O-N 2.98Å; V269-L271 VanDerWaalsContact C-N 3.35Å; V269-K272 PolarHBondContact O-N 2.86Å; V269-H287 HydrophobicContact CG1-CB 4.16Å |
| 270 | L | 78.6 | Confident | 73.5 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 41% | 0.414 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.1 | -30.7 | 179 | -70.1 | 173.4 | 0 | 0 | 0 | 113.5 | R43 G266 L267 L284 L291 | R43-L270 PolarHBondContact NH2-O 2.91Å; G266-L270 WeakPolarHBondContact O-CG 3.29Å; G266-L270 PolarHBondContact O-N 3.36Å; L267-L270 PolarHBondContact O-N 3.4Å; L270-L284 HydrophobicContact CD2-CD2 4.12Å; L270-L291 HydrophobicContact CD2-CD2 4.15Å; L270-L291 HydrophobicContact CG-CD1 4.42Å |
| 271 | L | 76.4 | Confident | 72.1 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -82 | -17.3 | 179.5 | -72.8 | 175.7 | 0 | 0 | 0 | 112.9 | R43 A46 L50 L267 S268 V269 N273 | R43-L271 WeakPolarHBondContact CD-O 3.48Å; R43-L271 HydrophobicContact CG-CB 4.46Å; R43-L271 HydrophobicContact CG-CD2 4.5Å; R43-L271 WeakPolarHBondContact CG-O 3.45Å; R43-L271 PolarHBondContact NE-O 3.06Å; A46-L271 HydrophobicContact CB-CD1 4.47Å; L50-L271 HydrophobicContact CD1-CD1 3.56Å; L267-L271 HydrophobicContact CD1-CD1 4.02Å; L267-L271 HydrophobicContact CD1-CG 4.07Å; L267-L271 HydrophobicContact CD2-CD1 4.33Å; L267-L271 HydrophobicContact CG-CD1 3.74Å; L267-L271 HydrophobicContact CG-CG 4.21Å; L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 2.97Å; L267-L271 PolarHBondContact O-N 2.87Å; S268-L271 PolarHBondContact O-N 3.23Å; V269-L271 VanDerWaalsContact C-N 3.35Å; L271-N273 PolarHBondContact O-N 3.28Å |
| 272 | K | 76.4 | Confident | 71.1 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 14% | 0.135 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 127.5 | 179.7 | -172.6 | 64.5 | 179.4 | -177.4 | 0 | 111.1 | E37 S268 V269 Y283 | E37-K272 IonicContact OE2-NZ 2.64Å; E37-K272 PolarHBondContact OE2-NZ 2.98Å; S268-K272 PolarHBondContact O-N 3.35Å; V269-K272 PolarHBondContact O-N 2.86Å; K272-Y283 HydrophobicContact CB-CE1 4.22Å; K272-Y283 HydrophobicContact CG-CE1 4.38Å; K272-Y283 VanDerWaalsContact CG-OH 3.32Å; K272-Y283 WeakPolarHBondContact CG-OH 3.02Å |
| 273 | N | 69.9 | Low | 70.1 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 21% | 0.214 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -77 | 139.2 | 173.2 | -77 | -23.8 | 0 | 0 | 0 | 110.7 | D41 R43 D44 L271 | D41-N273 PolarHBondContact OD2-ND2 3.09Å; R43-N273 WeakPolarHBondContact CD-OD1 3.46Å; R43-N273 PolarHBondContact NE-OD1 2.92Å; D44-N273 WeakPolarHBondContact OD1-CB 3.38Å; D44-N273 PolarHBondContact OD1-N 3.5Å; D44-N273 VanDerWaalsContact OD1-N 3.17Å; L271-N273 PolarHBondContact O-N 3.28Å |
| 274 | P | 63.9 | Low | 69.2 | Low | 31 Ų | 31 | 72.3 Ų | 72.3 | 20% | 0.201 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 150.4 | 174.1 | 31.6 | -37 | 0 | 0 | 0 | 111.2 | E280 Y283 | P274-E280 HydrophobicContact CG-CB 4.45Å; P274-E280 HydrophobicContact CG-CG 3.87Å; P274-Y283 HydrophobicContact CB-CG 4.15Å |
| 275 | E | 58.2 | Low | 68.2 | Low | 159 Ų | 159 | 74.9 Ų | 74.9 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 150 | 176.1 | -72.7 | -176.4 | 168.3 | 0 | 0 | 112.6 | G277 H278 | E275-G277 PolarHBondContact O-N 3.02Å; E275-H278 PolarHBondContact O-N 3.21Å; E275-H278 VanDerWaalsContact O-N 3.07Å |
| 276 | R | 49.8 | Very low | 67.2 | Low | 207 Ų | 207 | 74.6 Ų | 74.6 | 78% | 0.781 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 106.2 | -178.5 | -69.5 | -178.3 | -179 | 158.2 | 2.8 | 110.7 | ||
| 277 | G | 50.8 | Low | 66.5 | Low | 81 Ų | 81 | 76 Ų | 76 | 84% | 0.835 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.8 | -12.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E275 | E275-G277 PolarHBondContact O-N 3.02Š|
| 278 | H | 55.8 | Low | 65.9 | Low | 118 Ų | 118 | 75.4 Ų | 75.4 | 55% | 0.546 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -100.3 | 130.2 | 173.4 | -74.8 | 80 | 0 | 0 | 0 | 110.7 | E275 | E275-H278 PolarHBondContact O-N 3.21Å; E275-H278 VanDerWaalsContact O-N 3.07Å |
| 279 | G | 59 | Low | 65.5 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | trans | -65.5 | 142.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R281 S282 Y283 | G279-R281 PolarHBondContact O-N 2.84Å; G279-S282 WeakPolarHBondContact O-CB 3.46Å; G279-S282 PolarHBondContact O-N 3.47Å; G279-Y283 PolarHBondContact O-N 3.45Å | ||
| 280 | E | 60.6 | Low | 65 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -49.2 | -37.8 | 180 | -63.1 | 178.3 | 159.1 | 0 | 0 | 113 | P274 Y283 L284 | P274-E280 HydrophobicContact CG-CB 4.45Å; P274-E280 HydrophobicContact CG-CG 3.87Å; E280-Y283 PolarHBondContact O-N 3.4Å; E280-L284 WeakPolarHBondContact O-CG 3.39Å; E280-L284 PolarHBondContact O-N 2.9Å |
| 281 | R | 58.9 | Low | 64.9 | Low | 215 Ų | 215 | 72.4 Ų | 72.4 | 81% | 0.811 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.2 | -34.6 | 178.3 | -63.8 | -172.9 | -178.1 | -166.5 | 0.9 | 113.2 | G279 V285 | G279-R281 PolarHBondContact O-N 2.84Å; R281-V285 WeakPolarHBondContact O-CB 3.45Å; R281-V285 WeakPolarHBondContact O-CG2 3.24Å; R281-V285 PolarHBondContact O-N 3.4Å |
| 282 | S | 63.9 | Low | 64.9 | Low | 48 Ų | 48 | 74.8 Ų | 74.8 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -50.5 | 176.5 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | G279 L284 V285 H286 | G279-S282 WeakPolarHBondContact O-CB 3.46Å; G279-S282 PolarHBondContact O-N 3.47Å; S282-L284 PolarHBondContact O-N 3.11Å; S282-V285 PolarHBondContact O-N 2.72Å; S282-V285 VanDerWaalsContact O-N 3.13Å; S282-H286 PolarHBondContact O-N 2.89Å; S282-H286 VanDerWaalsContact O-N 3.1Å; S282-H286 PolarHBondContact O-ND1 3.49Å; S282-H286 PolarHBondContact OG-CE1 3.26Å |
| 283 | Y | 65.8 | Low | 64.8 | Low | 48 Ų | 48 | 73.7 Ų | 73.7 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55 | -48.6 | 176.7 | 177.1 | -98.5 | 0 | 0 | 0 | 112.5 | K272 P274 G279 E280 V285 H286 H287 | K272-Y283 HydrophobicContact CB-CE1 4.22Å; K272-Y283 HydrophobicContact CG-CE1 4.38Å; K272-Y283 VanDerWaalsContact CG-OH 3.32Å; K272-Y283 WeakPolarHBondContact CG-OH 3.02Å; P274-Y283 HydrophobicContact CB-CG 4.15Å; G279-Y283 PolarHBondContact O-N 3.45Å; E280-Y283 PolarHBondContact O-N 3.4Å; Y283-V285 VanDerWaalsContact C-N 3.34Å; Y283-V285 PolarHBondContact O-N 3.38Å; Y283-H286 PolarHBondContact O-N 3.32Å; Y283-H287 AromaticContact CD2-CD2 3.75Å; Y283-H287 AromaticContact CD2-NE2 3.88Å; Y283-H287 AromaticContact CE1-CD2 3.85Å; Y283-H287 AromaticContact CE2-CD2 3.31Å; Y283-H287 WeakPolarHBondContact CE2-CD2 3.38Å; Y283-H287 AromaticContact CE2-NE2 3.2Å; Y283-H287 WeakPolarHBondContact CE2-NE2 3.5Å; Y283-H287 AromaticContact CZ-CD2 3.35Å; Y283-H287 AromaticContact CZ-NE2 3.54Å; Y283-H287 PolarHBondContact O-CD2 3.48Å; Y283-H287 PolarHBondContact O-N 2.96Å; Y283-H287 VanDerWaalsContact O-N 3.17Å |
| 284 | L | 64.8 | Low | 65.1 | Low | 62 Ų | 62 | 72.2 Ų | 72.2 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 177.6 | -74.8 | 172.3 | 0 | 0 | 0 | 112.3 | L270 E280 S282 H286 H287 L288 | L270-L284 HydrophobicContact CD2-CD2 4.12Å; E280-L284 WeakPolarHBondContact O-CG 3.39Å; E280-L284 PolarHBondContact O-N 2.9Å; S282-L284 PolarHBondContact O-N 3.11Å; L284-H286 VanDerWaalsContact C-N 3.3Å; L284-H286 PolarHBondContact O-N 2.86Å; L284-H287 CarbonylContact O-C 3.44Å; L284-H287 PolarHBondContact O-N 3.24Å; L284-H287 VanDerWaalsContact O-N 3.12Å; L284-L288 WeakPolarHBondContact O-CG 2.99Å; L284-L288 PolarHBondContact O-N 2.99Å |
| 285 | V | 65.2 | Low | 65.8 | Low | 64 Ų | 64 | 74.1 Ų | 74.1 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 178.8 | 170.6 | 0 | 0 | 0 | 0 | 112 | R281 S282 Y283 H287 L288 | R281-V285 WeakPolarHBondContact O-CB 3.45Å; R281-V285 WeakPolarHBondContact O-CG2 3.24Å; R281-V285 PolarHBondContact O-N 3.4Å; S282-V285 PolarHBondContact O-N 2.72Å; S282-V285 VanDerWaalsContact O-N 3.13Å; Y283-V285 VanDerWaalsContact C-N 3.34Å; Y283-V285 PolarHBondContact O-N 3.38Å; V285-H287 VanDerWaalsContact C-N 3.3Å; V285-H287 PolarHBondContact O-N 3.32Å; V285-L288 HydrophobicContact CB-CD1 4.32Å; V285-L288 HydrophobicContact CG1-CD1 4.46Å; V285-L288 HydrophobicContact CG2-CD1 4.06Å; V285-L288 WeakPolarHBondContact O-CB 3.19Å; V285-L288 PolarHBondContact O-N 3.34Å |
| 286 | H | 64.9 | Low | 66.7 | Low | 58 Ų | 58 | 67.5 Ų | 67.5 | 27% | 0.269 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 175.6 | -70.6 | 78.3 | 0 | 0 | 0 | 111.5 | F190 S282 Y283 L284 W290 | F190-H286 AromaticContact CD1-NE2 3.67Å; F190-H286 AromaticContact CE1-CD2 3.95Å; F190-H286 AromaticContact CE1-CE1 3.86Å; F190-H286 AromaticContact CE1-NE2 3.38Å; F190-H286 WeakPolarHBondContact CE1-NE2 3.41Å; S282-H286 PolarHBondContact O-N 2.89Å; S282-H286 VanDerWaalsContact O-N 3.1Å; S282-H286 PolarHBondContact O-ND1 3.49Å; S282-H286 PolarHBondContact OG-CE1 3.26Å; Y283-H286 PolarHBondContact O-N 3.32Å; L284-H286 VanDerWaalsContact C-N 3.3Å; L284-H286 PolarHBondContact O-N 2.86Å; H286-W290 VanDerWaalsContact O-CZ3 3.31Å; H286-W290 WeakPolarHBondContact O-CZ3 3.23Å |
| 287 | H | 69.1 | Low | 68 | Low | 34 Ų | 34 | 58.2 Ų | 58.2 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -92.2 | 1.6 | 179.8 | -67.3 | -71.4 | 0 | 0 | 0 | 114.9 | V269 Y283 L284 V285 P289 W290 L291 | V269-H287 HydrophobicContact CG1-CB 4.16Å; Y283-H287 AromaticContact CD2-CD2 3.75Å; Y283-H287 AromaticContact CD2-NE2 3.88Å; Y283-H287 AromaticContact CE1-CD2 3.85Å; Y283-H287 AromaticContact CE2-CD2 3.31Å; Y283-H287 WeakPolarHBondContact CE2-CD2 3.38Å; Y283-H287 AromaticContact CE2-NE2 3.2Å; Y283-H287 WeakPolarHBondContact CE2-NE2 3.5Å; Y283-H287 AromaticContact CZ-CD2 3.35Å; Y283-H287 AromaticContact CZ-NE2 3.54Å; Y283-H287 PolarHBondContact O-CD2 3.48Å; Y283-H287 PolarHBondContact O-N 2.96Å; Y283-H287 VanDerWaalsContact O-N 3.17Å; L284-H287 CarbonylContact O-C 3.44Å; L284-H287 PolarHBondContact O-N 3.24Å; L284-H287 VanDerWaalsContact O-N 3.12Å; V285-H287 VanDerWaalsContact C-N 3.3Å; V285-H287 PolarHBondContact O-N 3.32Å; H287-P289 VanDerWaalsContact C-CD 3.5Å; H287-W290 PolarHBondContact O-N 3.5Å; H287-L291 PolarHBondContact O-N 3.03Å; H287-L291 VanDerWaalsContact O-N 3.12Å |
| 288 | L | 70.3 | Confident | 69.4 | Low | 63 Ų | 63 | 55.3 Ų | 55.3 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.9 | -43.1 | -176.2 | -90.6 | 178.7 | 0 | 0 | 0 | 114.4 | L284 V285 W290 L291 I292 | L284-L288 WeakPolarHBondContact O-CG 2.99Å; L284-L288 PolarHBondContact O-N 2.99Å; V285-L288 HydrophobicContact CB-CD1 4.32Å; V285-L288 HydrophobicContact CG1-CD1 4.46Å; V285-L288 HydrophobicContact CG2-CD1 4.06Å; V285-L288 WeakPolarHBondContact O-CB 3.19Å; V285-L288 PolarHBondContact O-N 3.34Å; L288-W290 PolarHBondContact O-N 3.16Å; L288-L291 PolarHBondContact O-N 3.22Å; L288-I292 HydrophobicContact CB-CD1 4.38Å; L288-I292 HydrophobicContact CD2-CD1 4.49Å; L288-I292 WeakPolarHBondContact O-CB 3.46Å; L288-I292 VanDerWaalsContact O-CG1 3.24Å; L288-I292 WeakPolarHBondContact O-CG1 3.39Å; L288-I292 PolarHBondContact O-N 3.32Å |
| 289 | P | 72.7 | Confident | 70.5 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.7 | -49.9 | -178.7 | -26.1 | 35.7 | 0 | 0 | 0 | 111.7 | F198 S205 H287 L291 I292 G293 | F198-P289 HydrophobicContact CD2-CG 3.46Å; F198-P289 VanDerWaalsContact CD2-CG 3.46Å; F198-P289 HydrophobicContact CE1-CG 4.46Å; F198-P289 HydrophobicContact CE2-CG 3.42Å; F198-P289 VanDerWaalsContact CE2-CG 3.42Å; F198-P289 HydrophobicContact CG-CG 4.05Å; F198-P289 HydrophobicContact CZ-CG 3.94Å; S205-P289 PolarHBondContact OG-O 3.45Å; H287-P289 VanDerWaalsContact C-CD 3.5Å; P289-L291 VanDerWaalsContact C-N 3.32Å; P289-L291 PolarHBondContact O-N 3.36Å; P289-I292 PolarHBondContact O-N 3.2Å; P289-G293 PolarHBondContact O-N 2.99Å |
| 290 | W | 70.3 | Confident | 71.3 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 178.2 | -61.8 | -77 | 0 | 0 | 0 | 112.8 | N94 H286 H287 L288 S294 | N94-W290 PolarHBondContact OD1-NE1 3.37Å; H286-W290 VanDerWaalsContact O-CZ3 3.31Å; H286-W290 WeakPolarHBondContact O-CZ3 3.23Å; H287-W290 PolarHBondContact O-N 3.5Å; L288-W290 PolarHBondContact O-N 3.16Å; W290-S294 WeakPolarHBondContact O-CB 3.2Å; W290-S294 PolarHBondContact O-N 3.38Å |
| 291 | L | 75.8 | Confident | 72.2 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.3 | -43.8 | 175.9 | -171.9 | 66.6 | 0 | 0 | 0 | 111.9 | L270 H287 L288 P289 S294 L295 | L270-L291 HydrophobicContact CD2-CD2 4.15Å; L270-L291 HydrophobicContact CG-CD1 4.42Å; H287-L291 PolarHBondContact O-N 3.03Å; H287-L291 VanDerWaalsContact O-N 3.12Å; L288-L291 PolarHBondContact O-N 3.22Å; P289-L291 VanDerWaalsContact C-N 3.32Å; P289-L291 PolarHBondContact O-N 3.36Å; L291-S294 PolarHBondContact O-N 3.17Å; L291-L295 HydrophobicContact CD1-CD1 3.88Å; L291-L295 HydrophobicContact CD1-CG 4.11Å; L291-L295 HydrophobicContact CD2-CD1 4.34Å; L291-L295 HydrophobicContact CG-CD1 3.76Å; L291-L295 HydrophobicContact CG-CG 4.3Å; L291-L295 VanDerWaalsContact O-CB 3.29Å; L291-L295 WeakPolarHBondContact O-CB 3.34Å; L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 3.12Å |
| 292 | I | 77.1 | Confident | 73.2 | Confident | 96 Ų | 96 | 40.2 Ų | 40.2 | 49% | 0.492 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.4 | -69.2 | 165.3 | 0 | 0 | 0 | 110.2 | L288 P289 G296 | L288-I292 HydrophobicContact CB-CD1 4.38Å; L288-I292 HydrophobicContact CD2-CD1 4.49Å; L288-I292 WeakPolarHBondContact O-CB 3.46Å; L288-I292 VanDerWaalsContact O-CG1 3.24Å; L288-I292 WeakPolarHBondContact O-CG1 3.39Å; L288-I292 PolarHBondContact O-N 3.32Å; P289-I292 PolarHBondContact O-N 3.2Å; I292-G296 WeakPolarHBondContact O-CA 3.47Å; I292-G296 PolarHBondContact O-N 3.47Å |
| 293 | G | 74.6 | Confident | 73.7 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.5 | -52.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P289 T297 | P289-G293 PolarHBondContact O-N 2.99Å; G293-T297 VanDerWaalsContact O-CG2 3.26Å; G293-T297 WeakPolarHBondContact O-CG2 3.4Å; G293-T297 PolarHBondContact O-N 3.45Å; G293-T297 PolarHBondContact O-OG1 3.32Å |
| 294 | S | 75.3 | Confident | 74 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.5 | -43.2 | -178.1 | 179.2 | 0 | 0 | 0 | 0 | 114.2 | N262 Y265 W290 L291 G296 T297 L298 | N262-S294 PolarHBondContact O-OG 3.4Å; Y265-S294 WeakPolarHBondContact CD1-OG 3.36Å; W290-S294 WeakPolarHBondContact O-CB 3.2Å; W290-S294 PolarHBondContact O-N 3.38Å; L291-S294 PolarHBondContact O-N 3.17Å; S294-G296 VanDerWaalsContact C-N 3.35Å; S294-T297 WeakPolarHBondContact CA-OG1 3.24Å; S294-T297 PolarHBondContact O-OG1 2.88Å; S294-L298 VanDerWaalsContact O-CB 3.25Å; S294-L298 WeakPolarHBondContact O-CB 3.31Å; S294-L298 PolarHBondContact O-N 3.4Å |
| 295 | L | 78.4 | Confident | 74.4 | Confident | 72 Ų | 72 | 37.4 Ų | 37.4 | 38% | 0.377 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.6 | -35.3 | 177.3 | -70.8 | 176.9 | 0 | 0 | 0 | 111.8 | L291 L298 T299 | L291-L295 HydrophobicContact CD1-CD1 3.88Å; L291-L295 HydrophobicContact CD1-CG 4.11Å; L291-L295 HydrophobicContact CD2-CD1 4.34Å; L291-L295 HydrophobicContact CG-CD1 3.76Å; L291-L295 HydrophobicContact CG-CG 4.3Å; L291-L295 VanDerWaalsContact O-CB 3.29Å; L291-L295 WeakPolarHBondContact O-CB 3.34Å; L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 3.12Å; L295-L298 HydrophobicContact CD2-CD2 4.37Å; L295-T299 WeakPolarHBondContact O-CB 3.37Å; L295-T299 PolarHBondContact O-N 3.29Å; L295-T299 PolarHBondContact O-OG1 3.39Å |
| 296 | G | 77.3 | Confident | 74.7 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -45.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I292 S294 T299 L300 | I292-G296 WeakPolarHBondContact O-CA 3.47Å; I292-G296 PolarHBondContact O-N 3.47Å; S294-G296 VanDerWaalsContact C-N 3.35Å; G296-T299 PolarHBondContact O-N 3.13Å; G296-L300 WeakPolarHBondContact O-CG 3.31Å; G296-L300 PolarHBondContact O-N 3.4Å; G296-L300 VanDerWaalsContact O-N 3.1Å |
| 297 | T | 76.7 | Confident | 74.7 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 174.3 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | L209 G293 S294 T299 L300 D301 | L209-T297 HydrophobicContact CD2-CG2 4.2Å; G293-T297 VanDerWaalsContact O-CG2 3.26Å; G293-T297 WeakPolarHBondContact O-CG2 3.4Å; G293-T297 PolarHBondContact O-N 3.45Å; G293-T297 PolarHBondContact O-OG1 3.32Å; S294-T297 WeakPolarHBondContact CA-OG1 3.24Å; S294-T297 PolarHBondContact O-OG1 2.88Å; T297-T299 VanDerWaalsContact C-N 3.33Å; T297-T299 PolarHBondContact O-N 2.91Å; T297-L300 PolarHBondContact O-N 3.04Å; T297-D301 WeakPolarHBondContact O-CB 3.29Å; T297-D301 PolarHBondContact O-N 3.23Å |
| 298 | L | 81.1 | Confident | 74.6 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.3 | -46.8 | 174.3 | 178.3 | 62.7 | 0 | 0 | 0 | 111.8 | I259 N262 T263 S294 L295 L300 D301 L302 | I259-L298 HydrophobicContact CB-CD1 4.49Å; I259-L298 HydrophobicContact CG2-CD1 3.85Å; N262-L298 HydrophobicContact CB-CB 4.15Å; N262-L298 HydrophobicContact CB-CD1 4.19Å; T263-L298 WeakPolarHBondContact OG1-CD1 3.46Å; S294-L298 VanDerWaalsContact O-CB 3.25Å; S294-L298 WeakPolarHBondContact O-CB 3.31Å; S294-L298 PolarHBondContact O-N 3.4Å; L295-L298 HydrophobicContact CD2-CD2 4.37Å; L298-L300 VanDerWaalsContact C-N 3.34Å; L298-L300 PolarHBondContact O-N 3.39Å; L298-D301 PolarHBondContact O-N 2.92Å; L298-L302 HydrophobicContact CD1-CG 4.43Å; L298-L302 HydrophobicContact CG-CD1 4.38Å; L298-L302 WeakPolarHBondContact O-CG 3.42Å; L298-L302 PolarHBondContact O-N 3.04Å |
| 299 | T | 79.5 | Confident | 74.5 | Confident | 78 Ų | 78 | 41.7 Ų | 41.7 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 179.3 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | L295 G296 T297 L302 I303 | L295-T299 WeakPolarHBondContact O-CB 3.37Å; L295-T299 PolarHBondContact O-N 3.29Å; L295-T299 PolarHBondContact O-OG1 3.39Å; G296-T299 PolarHBondContact O-N 3.13Å; T297-T299 VanDerWaalsContact C-N 3.33Å; T297-T299 PolarHBondContact O-N 2.91Å; T299-L302 PolarHBondContact O-N 3Å; T299-I303 HydrophobicContact CG2-CD1 4.22Å; T299-I303 VanDerWaalsContact O-CG1 3.32Å; T299-I303 WeakPolarHBondContact O-CG1 3.34Å; T299-I303 PolarHBondContact O-N 3.41Å |
| 300 | L | 75.1 | Confident | 74.3 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 176.3 | -67 | 173.6 | 0 | 0 | 0 | 111.9 | L209 R212 M216 G296 T297 L298 L302 I303 I304 | L209-L300 HydrophobicContact CD2-CD1 3.86Å; R212-L300 HydrophobicContact CB-CD1 3.98Å; M216-L300 HydrophobicContact CE-CD2 3.95Å; M216-L300 HydrophobicContact SD-CD2 3.81Å; G296-L300 WeakPolarHBondContact O-CG 3.31Å; G296-L300 PolarHBondContact O-N 3.4Å; G296-L300 VanDerWaalsContact O-N 3.1Å; T297-L300 PolarHBondContact O-N 3.04Å; L298-L300 VanDerWaalsContact C-N 3.34Å; L298-L300 PolarHBondContact O-N 3.39Å; L300-L302 VanDerWaalsContact C-N 3.35Å; L300-L302 PolarHBondContact O-N 3.42Å; L300-I303 PolarHBondContact O-N 3.45Å; L300-I304 VanDerWaalsContact O-CG1 3.29Å; L300-I304 WeakPolarHBondContact O-CG1 3.34Å; L300-I304 PolarHBondContact O-N 3.22Å |
| 301 | D | 79.2 | Confident | 73.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | 178.3 | -74 | -20.6 | 0 | 0 | 0 | 111.7 | R212 F255 I259 N262 T297 L298 I304 S305 | R212-D301 IonicContact CZ-OD1 3.73Å; R212-D301 IonicContact NH1-OD1 3.04Å; R212-D301 PolarHBondContact NH1-OD1 3.5Å; F255-D301 HydrophobicContact CE1-CB 4.13Å; F255-D301 WeakPolarHBondContact CE1-O 3.23Å; F255-D301 HydrophobicContact CZ-CB 3.84Å; F255-D301 WeakPolarHBondContact CZ-O 3.38Å; I259-D301 HydrophobicContact CG1-CB 4.14Å; N262-D301 PolarHBondContact ND2-OD2 2.87Å; T297-D301 WeakPolarHBondContact O-CB 3.29Å; T297-D301 PolarHBondContact O-N 3.23Å; L298-D301 PolarHBondContact O-N 2.92Å; D301-I304 PolarHBondContact O-N 2.86Å; D301-S305 PolarHBondContact O-N 3.48Å; D301-S305 PolarHBondContact O-OG 2.71Å |
| 302 | L | 79.3 | Confident | 73.1 | Confident | 84 Ų | 84 | 56.2 Ų | 56.2 | 44% | 0.44 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 173.4 | -70.3 | 176 | 0 | 0 | 0 | 112 | I259 L298 T299 L300 I304 S305 V306 | I259-L302 HydrophobicContact CD1-CD2 4.12Å; I259-L302 HydrophobicContact CG2-CD2 4.31Å; L298-L302 HydrophobicContact CD1-CG 4.43Å; L298-L302 HydrophobicContact CG-CD1 4.38Å; L298-L302 WeakPolarHBondContact O-CG 3.42Å; L298-L302 PolarHBondContact O-N 3.04Å; T299-L302 PolarHBondContact O-N 3Å; L300-L302 VanDerWaalsContact C-N 3.35Å; L300-L302 PolarHBondContact O-N 3.42Å; L302-I304 VanDerWaalsContact C-N 3.32Å; L302-I304 PolarHBondContact O-N 3.01Å; L302-S305 WeakPolarHBondContact O-CB 3.47Å; L302-S305 PolarHBondContact O-N 3.03Å; L302-V306 WeakPolarHBondContact O-CG2 3.38Å; L302-V306 PolarHBondContact O-N 3.1Å |
| 303 | I | 75.6 | Confident | 72.2 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 36% | 0.359 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 175.3 | -68.7 | 165.4 | 0 | 0 | 0 | 110.3 | T299 L300 S305 V306 Q307 | T299-I303 HydrophobicContact CG2-CD1 4.22Å; T299-I303 VanDerWaalsContact O-CG1 3.32Å; T299-I303 WeakPolarHBondContact O-CG1 3.34Å; T299-I303 PolarHBondContact O-N 3.41Å; L300-I303 PolarHBondContact O-N 3.45Å; I303-S305 VanDerWaalsContact C-N 3.34Å; I303-S305 PolarHBondContact O-N 2.93Å; I303-V306 PolarHBondContact O-N 3.13Å; I303-Q307 WeakPolarHBondContact O-CG 3.23Å; I303-Q307 PolarHBondContact O-N 3.36Å |
| 304 | I | 72 | Confident | 71 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 178 | -67.4 | 165.1 | 0 | 0 | 0 | 111.1 | F255 L300 D301 L302 Q307 F308 | F255-I304 HydrophobicContact CE2-CG2 4.02Å; F255-I304 HydrophobicContact CZ-CB 4.11Å; F255-I304 HydrophobicContact CZ-CG2 3.98Å; L300-I304 VanDerWaalsContact O-CG1 3.29Å; L300-I304 WeakPolarHBondContact O-CG1 3.34Å; L300-I304 PolarHBondContact O-N 3.22Å; D301-I304 PolarHBondContact O-N 2.86Å; L302-I304 VanDerWaalsContact C-N 3.32Å; L302-I304 PolarHBondContact O-N 3.01Å; I304-Q307 PolarHBondContact O-N 3.06Å; I304-F308 PolarHBondContact O-N 3.06Å |
| 305 | S | 72.1 | Confident | 69.5 | Low | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.2 | -50 | 174.2 | -82.1 | 0 | 0 | 0 | 0 | 112.3 | F255 D301 L302 I303 Q307 F308 F309 | F255-S305 WeakPolarHBondContact CD1-OG 3.49Å; F255-S305 WeakPolarHBondContact CE1-OG 3.19Å; D301-S305 PolarHBondContact O-N 3.48Å; D301-S305 PolarHBondContact O-OG 2.71Å; L302-S305 WeakPolarHBondContact O-CB 3.47Å; L302-S305 PolarHBondContact O-N 3.03Å; I303-S305 VanDerWaalsContact C-N 3.34Å; I303-S305 PolarHBondContact O-N 2.93Å; S305-Q307 VanDerWaalsContact C-N 3.31Å; S305-Q307 PolarHBondContact O-N 3.07Å; S305-F308 WeakPolarHBondContact O-CB 3.44Å; S305-F308 PolarHBondContact O-N 3.29Å; S305-F308 VanDerWaalsContact O-N 3.12Å; S305-F309 WeakPolarHBondContact O-CD2 3.36Å; S305-F309 PolarHBondContact O-N 2.91Å |
| 306 | V | 71.7 | Confident | 68.1 | Low | 88 Ų | 88 | 68.1 Ų | 68.1 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | -179.8 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L302 I303 F308 F309 I310 | L302-V306 WeakPolarHBondContact O-CG2 3.38Å; L302-V306 PolarHBondContact O-N 3.1Å; I303-V306 PolarHBondContact O-N 3.13Å; V306-F308 VanDerWaalsContact C-N 3.34Å; V306-F308 PolarHBondContact O-N 3.47Å; V306-F309 PolarHBondContact O-N 2.77Å; V306-I310 HydrophobicContact CG1-CD1 3.85Å; V306-I310 WeakPolarHBondContact O-CG1 3.36Å; V306-I310 PolarHBondContact O-N 3.29Å; V306-I310 VanDerWaalsContact O-N 3.07Å |
| 307 | Q | 65.3 | Low | 66.3 | Low | 20 Ų | 20 | 74.8 Ų | 74.8 | 9% | 0.093 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.8 | -48.7 | 173.9 | -72.1 | 177.4 | 9.8 | 0 | 0 | 111.3 | N219 I303 I304 S305 F309 I310 Y311 | N219-Q307 VanDerWaalsContact CB-OE1 3.29Å; I303-Q307 WeakPolarHBondContact O-CG 3.23Å; I303-Q307 PolarHBondContact O-N 3.36Å; I304-Q307 PolarHBondContact O-N 3.06Å; S305-Q307 VanDerWaalsContact C-N 3.31Å; S305-Q307 PolarHBondContact O-N 3.07Å; Q307-F309 PolarHBondContact O-N 2.93Å; Q307-I310 PolarHBondContact O-N 2.99Å; Q307-Y311 HydrophobicContact CB-CD2 4.29Å; Q307-Y311 HydrophobicContact CB-CE2 4.05Å; Q307-Y311 WeakPolarHBondContact O-CD2 3.39Å; Q307-Y311 PolarHBondContact O-N 2.84Å |
| 308 | F | 67.3 | Low | 64.4 | Low | 105 Ų | 105 | 81.2 Ų | 81.2 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 179.7 | -174.4 | -95.4 | 0 | 0 | 0 | 112.9 | I304 S305 V306 Y311 R312 | I304-F308 PolarHBondContact O-N 3.06Å; S305-F308 WeakPolarHBondContact O-CB 3.44Å; S305-F308 PolarHBondContact O-N 3.29Å; S305-F308 VanDerWaalsContact O-N 3.12Å; V306-F308 VanDerWaalsContact C-N 3.34Å; V306-F308 PolarHBondContact O-N 3.47Å; F308-Y311 PolarHBondContact O-N 3.26Å; F308-R312 PolarHBondContact O-N 3.22Å |
| 309 | F | 69 | Low | 62.7 | Low | 96 Ų | 96 | 84.6 Ų | 84.6 | 42% | 0.421 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 176.9 | -82.5 | -72.4 | 0 | 0 | 0 | 112.9 | Y252 S305 V306 Q307 R312 K313 | Y252-F309 HydrophobicContact CD2-CZ 4.49Å; Y252-F309 HydrophobicContact CE1-CZ 4.1Å; Y252-F309 AromaticContact CE2-CE2 3.6Å; Y252-F309 HydrophobicContact CE2-CE2 3.6Å; Y252-F309 AromaticContact CE2-CZ 3.8Å; Y252-F309 HydrophobicContact CE2-CZ 3.8Å; Y252-F309 AromaticContact CZ-CE2 3.57Å; Y252-F309 AromaticContact CZ-CZ 3.58Å; Y252-F309 WeakPolarHBondContact OH-CE2 3.49Å; S305-F309 WeakPolarHBondContact O-CD2 3.36Å; S305-F309 PolarHBondContact O-N 2.91Å; V306-F309 PolarHBondContact O-N 2.77Å; Q307-F309 PolarHBondContact O-N 2.93Å; F309-R312 PolarHBondContact O-N 3.45Å; F309-K313 PolarHBondContact O-N 2.75Å |
| 310 | I | 67.6 | Low | 60.8 | Low | 105 Ų | 105 | 88.7 Ų | 88.7 | 54% | 0.538 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 176.2 | -66.5 | 168 | 0 | 0 | 0 | 110.1 | V306 Q307 R312 K313 A314 | V306-I310 HydrophobicContact CG1-CD1 3.85Å; V306-I310 WeakPolarHBondContact O-CG1 3.36Å; V306-I310 PolarHBondContact O-N 3.29Å; V306-I310 VanDerWaalsContact O-N 3.07Å; Q307-I310 PolarHBondContact O-N 2.99Å; I310-R312 PolarHBondContact O-N 3.46Å; I310-K313 PolarHBondContact O-N 3.02Å; I310-A314 PolarHBondContact O-N 2.78Å |
| 311 | Y | 60.2 | Low | 59.1 | Low | 47 Ų | 47 | 91.2 Ų | 91.2 | 18% | 0.184 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 179.7 | -73.6 | -59.8 | 0 | 0 | 0 | 113.9 | N219 L222 L223 I226 Q307 F308 K313 A314 | N219-Y311 PolarHBondContact O-OH 2.9Å; L222-Y311 HydrophobicContact CD2-CE1 4.06Å; L223-Y311 VanDerWaalsContact CA-OH 3.28Å; L223-Y311 WeakPolarHBondContact CA-OH 3.33Å; L223-Y311 VanDerWaalsContact CB-OH 3.31Å; L223-Y311 WeakPolarHBondContact CB-OH 3.28Å; L223-Y311 HydrophobicContact CD1-CE1 4.36Å; L223-Y311 HydrophobicContact CD1-CE2 4.3Å; L223-Y311 WeakPolarHBondContact CD1-OH 3.45Å; L223-Y311 PolarHBondContact N-OH 3.44Å; I226-Y311 HydrophobicContact CD1-CD1 4.37Å; I226-Y311 HydrophobicContact CD1-CE1 3.55Å; Q307-Y311 HydrophobicContact CB-CD2 4.29Å; Q307-Y311 HydrophobicContact CB-CE2 4.05Å; Q307-Y311 WeakPolarHBondContact O-CD2 3.39Å; Q307-Y311 PolarHBondContact O-N 2.84Å; F308-Y311 PolarHBondContact O-N 3.26Å; Y311-K313 VanDerWaalsContact C-N 3.28Å; Y311-K313 PolarHBondContact O-N 3.41Å; Y311-A314 PolarHBondContact O-N 3.38Å |
| 312 | R | 62 | Low | 57 | Low | 196 Ų | 196 | 96.8 Ų | 96.8 | 74% | 0.74 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.5 | -27.8 | 178 | -172.8 | 173.9 | 176.5 | 168.8 | -0 | 112.8 | F308 F309 I310 | F308-R312 PolarHBondContact O-N 3.22Å; F309-R312 PolarHBondContact O-N 3.45Å; I310-R312 PolarHBondContact O-N 3.46Å |
| 313 | K | 56.4 | Low | 55 | Low | 182 Ų | 182 | 101.6 Ų | 101.6 | 79% | 0.791 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -89.2 | -9.3 | 179.7 | -73.8 | -172.1 | 176.4 | -176.6 | 0 | 114 | F309 I310 Y311 P315 | F309-K313 PolarHBondContact O-N 2.75Å; I310-K313 PolarHBondContact O-N 3.02Å; Y311-K313 VanDerWaalsContact C-N 3.28Å; Y311-K313 PolarHBondContact O-N 3.41Å; K313-P315 VanDerWaalsContact O-CD 3.27Å; K313-P315 WeakPolarHBondContact O-CD 3.16Å |
| 314 | A | 50.4 | Low | 52.9 | Low | 57 Ų | 57 | 101.2 Ų | 101.2 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -69.4 | 115.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I310 Y311 V316 | I310-A314 PolarHBondContact O-N 2.78Å; Y311-A314 PolarHBondContact O-N 3.38Å; A314-V316 PolarHBondContact O-N 2.88Å |
| 315 | P | 42.5 | Very low | 51 | Low | 106 Ų | 106 | 106.4 Ų | 106.4 | 69% | 0.688 | 60% | 0.596 | S | S | * | * | trans | -62.4 | 130.5 | 178.9 | 23.7 | -30.6 | 0 | 0 | 0 | 109.6 | K313 Q317 | K313-P315 VanDerWaalsContact O-CD 3.27Å; K313-P315 WeakPolarHBondContact O-CD 3.16Å; P315-Q317 VanDerWaalsContact C-N 3.33Å; P315-Q317 PolarHBondContact O-N 2.97Å | ||
| 316 | V | 49.1 | Very low | 48.9 | Very low | 89 Ų | 89 | 114.3 Ų | 114.3 | 54% | 0.539 | 64% | 0.638 | S | S | . | * | trans | -68.8 | 98.7 | 162.7 | 179.4 | 0 | 0 | 0 | 0 | 105.5 | A314 N318 | A314-V316 PolarHBondContact O-N 2.88Å; V316-N318 PolarHBondContact O-N 3.13Å | ||
| 317 | Q | 40.9 | Very low | 47.2 | Very low | 161 Ų | 161 | 118.2 Ų | 118.2 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | trans | -60 | 108.6 | 166.5 | -86 | -174.4 | -24.1 | 0 | 0 | 107.7 | P315 V319 | P315-Q317 VanDerWaalsContact C-N 3.33Å; P315-Q317 PolarHBondContact O-N 2.97Å; Q317-V319 VanDerWaalsContact C-N 3.34Å; Q317-V319 PolarHBondContact O-N 2.89Å | ||
| 318 | N | 36.3 | Very low | 45.8 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | trans | -66.7 | 95.6 | 167.4 | -75.7 | -35.1 | 0 | 0 | 0 | 107.5 | V316 N320 | V316-N318 PolarHBondContact O-N 3.13Å; N318-N320 PolarHBondContact O-N 3.42Å | ||
| 319 | V | 44.7 | Very low | 44.1 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 56% | 0.564 | 70% | 0.7 | S | S | * | * | trans | -76.9 | 73 | 163.7 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | L234 Q317 | L234-V319 HydrophobicContact CD1-CB 4.49Å; L234-V319 HydrophobicContact CD1-CG2 3.87Å; L234-V319 HydrophobicContact CD2-CB 4.29Å; Q317-V319 VanDerWaalsContact C-N 3.34Å; Q317-V319 PolarHBondContact O-N 2.89Å | ||
| 320 | N | 39.9 | Very low | 42.6 | Very low | 164 Ų | 164 | 124.4 Ų | 124.4 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | -147.6 | 56.3 | 169.6 | -90.8 | -8.7 | 0 | 0 | 0 | 108.6 | N318 | N318-N320 PolarHBondContact O-N 3.42Š| ||
| 321 | G | 38.7 | Very low | 41.1 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | trans | -140.1 | 25.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 322 | S | 35.7 | Very low | 39.7 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -142.9 | 35.6 | 172.1 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 323 | L | 37.7 | Very low | 38.7 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 97% | 0.974 | 76% | 0.764 | S | S | * | * | trans | -121.4 | 71.3 | 161.9 | -157.6 | 74.9 | 0 | 0 | 0 | 108.2 | ||||
| 324 | G | 31.3 | Very low | 37.6 | Very low | 61 Ų | 61 | 129.3 Ų | 129.3 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -119.6 | 101.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 325 | T | 31.7 | Very low | 37 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 49.7 | 96.8 | 140.9 | 57.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 326 | D | 28.8 | Very low | 36.7 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 94% | 0.941 | 81% | 0.813 | S | S | * | * | trans | -120.3 | 93.8 | 135.1 | -121.4 | -17.4 | 0 | 0 | 0 | 107.1 | ||||
| 327 | E | 36.5 | Very low | 36 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -102.3 | 110.3 | 171.6 | -171.8 | -173.8 | 147.7 | 0 | 0 | 105.8 | ||||
| 328 | T | 34.9 | Very low | 35.7 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | trans | -177.8 | 112.3 | 140.6 | 20.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 329 | A | 31.6 | Very low | 35.7 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 78% | 0.777 | 84% | 0.836 | S | S | * | * | trans | 77.8 | 155.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 330 | P | 38.3 | Very low | 35.1 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 85% | 0.854 | S | S | * | * | -132.2 | 173 | -51.6 | 36.5 | -20.2 | 0 | 0 | 0 | 113.9 | |||||
| 331 | L | 36.5 | Very low | 34.7 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 86% | 0.859 | 85% | 0.852 | S | S | * | * | trans | -38.7 | 137.6 | 173.3 | -63.6 | 152.5 | 0 | 0 | 0 | 116.8 | ||||
| 332 | I | 28.8 | Very low | 34.4 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 83% | 0.826 | 86% | 0.855 | S | S | * | * | -155.8 | 137.8 | 126.8 | -56.7 | -168.6 | 0 | 0 | 0 | 109.3 | |||||
| 333 | P | 41 | Very low | 34.3 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 86% | 0.859 | S | S | * | * | trans | -96.5 | 137.6 | 168.7 | 35.9 | -26.9 | 0 | 0 | 0 | 112.3 | ||||
| 334 | S | 34.6 | Very low | 34 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 100% | 1.343 | 85% | 0.849 | S | S | * | * | trans | -177.8 | 0 | 142.7 | 57.2 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 334 of 334 residues in 81.7 ms
(Link to these results)